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Sample records for oppenheim marc feldmann

  1. Record Formatting: MARC AMC.

    ERIC Educational Resources Information Center

    Weber, Lisa B.

    1990-01-01

    Discusses how archivists use the MARC AMC (Archival and Manuscripts Control) format for descriptive information about archival materials. Modifications that MARC AMC introduced to the standard MARC bibliographic formats are explained, and examples of a record in AMC formats on different bibliographic utilities are given. (24 references) (LRW)

  2. Canadian Experience with MARC.

    ERIC Educational Resources Information Center

    Chapple, Sharon E.

    Canadian libraries have used Machine-readable Cataloging (MARC) since its beginnings in 1966, mainly for speeding up the cataloging of American imprints. The lack of bilingualism in Library of Congress MARC records was a major deficiency in Canada where bilingual access points are provided for all publications in the national bibliography,…

  3. MARC Exit Strategies.

    ERIC Educational Resources Information Center

    Tennant, Roy

    2002-01-01

    Questions the value of MARC records and considers the need for a new bibliographic standard. Topics include language and hierarchy; problems with print and electronic copies of the same work, especially in union catalogs; XML; merging records and authority control; and what to do with existing MARC records. (LRW)

  4. MARC; its History and Implications.

    ERIC Educational Resources Information Center

    Avram, Henriette D.

    The Library of Congress presents the history of its Machine Readable Cataloging (MARC) system. Descriptions of MARC pilot projects and distribution services are followed by a discussion of several conversion projects undertaken by libraries in order to implement MARC. Then MARC's influence on standardization of formats for information interchange,…

  5. Marc Chagall: "Wild Poppies."

    ERIC Educational Resources Information Center

    White, Carolyn

    1987-01-01

    Based on a full-color reproduction of Marc Chagall's painting, "Wild Poppies," the goals of this lesson plan are to introduce students to artist's use of dreams and memories in making art, to communicate the idea that artists include their visual memories of people and things they love in their artwork, and to introduce the concepts of line and…

  6. J. Robert Oppenheimer - A Life

    NASA Astrophysics Data System (ADS)

    Pais, Abraham; Crease, Robert P.

    2007-05-01

    The late Abraham Pais, author of the award winning biography of Albert Einstein, Subtle is the Lord , here offers an illuminating portrait of another of his eminent colleagues, J. Robert Oppenheimer, one of the most charismatic and enigmatic figures of modern physics. Pais introduces us to a precocious youth who sped through Harvard in three years, made signal contributions to quantum mechanics while in his twenties, and was instrumental in the growth of American physics in the decade before the Second World War, almost single-handedly bringing it to a state of prominence. He paints a revealing portrait of Oppenheimer's life in Los Alamos, where in twenty remarkable, feverish months, and under his inspired guidance, the first atomic bomb was designed and built, a success that made Oppenheimer America's most famous scientist. Pais describes Oppenheimer's long tenure as Director of the Institute of Advanced Study at Princeton, where the two men worked together closely. He shows not only Oppenheimer's brilliance and leadership, but also how his displays of intensity and arrogance won him powerful enemies, ones who would ultimately make him one of the principal victims of the Red Scare of the 1950s. J. Robert Oppenheimer is Abraham Pais's final work, completed after his death by Robert P. Crease, an acclaimed historian of science in his own right. Told with compassion and deep insight, it is the most comprehensive biography of the great physicist available. Anyone seeking an insider's portrait of this enigmatic man will find it indispensable.

  7. MARCS model atmospheres

    NASA Astrophysics Data System (ADS)

    Plez, B.

    2008-12-01

    In this review presented at the Symposium A Stellar Journey in Uppsala, June 2008, I give an account of the historical development of the MARCS code, and its premises from the first version published in 1975 to the 2008 grid. The primary driver for the development team who constantly strive to include the best possible physical data, is the science that can be done with the models. A few preliminary comparisons of M star model spectra to spectrophotometric observations are presented. Particular results related to opacity effects are discussed. The size of errors in spectral energy distribution (SED) and model thermal stratification is estimated for different densities of wavelength sampling. The number of points used in the MARCS 2008 grid (108 000) is large enough to ensure errors of only a few K in all models of the grid, except the optically very thin layers of metal-poor stars. Errors in SEDs may reach about 10% locally in the UV. The published sampled SEDs are thus adequate to compute synthetic broadband photometry, but higher resolution spectra will be computed in the near future and published as well on the MARCS site (marcs.astro.uu.se). Test model calculations with TiO line opacity accounted for in scattering show significant cooling of the upper atmospheric layers of red giants. Rough estimates of radiative and collisional time scales for electronic transitions of TiO indicate that scattering may well be the dominant mechanism in these lines. However, models constructed with this hypothesis are incompatible with optical observations of TiO (Arcturus) or IR observations of OH (Betelgeuse), although they may succeed in explaining H2O line observations. More work is needed in that direction.

  8. J. Robert Oppenheimer - A Life

    NASA Astrophysics Data System (ADS)

    Pais, Abraham; Crease, Robert P.

    2006-04-01

    The late Abraham Pais wrote the definitive biography of Albert Einstein, "Subtle is the Lord," which won an American Book Award. As a distinguished physicist and Einstein's colleague, Pais combined a sophisticated understanding of physics with first-hand knowledge of this notoriously private individual, offering rare insights into both. It is his unique double perspective that makes his work so valuable. Now Abraham Pais offers an illuminating portrait of another eminent colleague, J. Robert Oppenheimer, one of the most charismatic and enigmatic figures of modern physics. Pais introduces us to a precocious youth who sped through Harvard in three years, made signal contributions to quantum mechanics while in his twenties, and was instrumental in the growth of American physics in the decade before the Second World War, almost single-handedly putting American physics on the map. Pais paints a revealing portrait of Oppenheimer's life in Los Alamos, where in twenty remarkable, feverish months, under his inspired leadership, the first atomic bomb was designed and built, a success that made Oppenheimer America's most famous scientist. Pais, who was his next-door neighbor for many years, describes Oppenheimer's long tenure as Director of the Institute of Advanced Study at Princeton, but also shows how Oppenheimer's intensity and arrogance won him powerful enemies, who would ultimately make him one of the principal victims of the Red Scare of the 1950s. Told with compassion and deep insight, J. Robert Oppenheimer is the most comprehensive biography of the great physicist available. It is Abraham Pais's final work, completed after his death by Robert P. Crease, an acclaimed historian of science in his own right.

  9. [Dr. Gustav Feldmann (1872-1947)--promoter of Jewish nursing in Germany].

    PubMed

    Kolling, H

    2000-10-01

    The origins of Jewish nursing in Germany date back to the last part of the 19th Century. In the wake of national socialism tyranny (NS-Zeit), the existence of Jewish nursing was completely destroyed. Regarding establishment and solicitous development for Jewish women, owing to a Jewish doctor living in Stuttgart Dr. Gustav Feldmann (1872-1947) whose contribution to developing new profession in the first quarter of the 20th century was not without merit. Up to now, he was hardly recognized by medical history and historical research. The following contribution serves to get a better view of his life and activities; most importantly to introduce his published work to a wide readership.

  10. Hermann Oppenheim's observations about music in aphasia.

    PubMed

    Graziano, Amy B; Pech, Anja; Hou, Craig; Johnson, Julene K

    2012-01-01

    Hermann Oppenheim was influential in many areas of neurology, but his ideas about music are relatively unknown. In 1888, he published a paper that outlined how the assessment of music skills in patients with aphasia could lead to a better understanding of aphasia and language. Oppenheim conducted the first comprehensive music assessment as part of a neurologic examination and presented the first case series of music in aphasia. His paper was widely cited and had significant influence over the next 30 years. Although largely unrecognized as such, Oppenheim was an important historical figure in the study of music and neurology.

  11. SLICE/MARC-O: Description of Services. Second Revised Edition.

    ERIC Educational Resources Information Center

    Oklahoma State Dept. of Libraries, Oklahoma City.

    Following the discussions of: what is SLICE, what is MARC, what is MARC-O, and what is SLICE/MARC-O are descriptions of the five services offered by SLICE/MARC-O. These services are: (1) cataloging data search and print, (2) MARC record and search and copy, (3) standard S.D.I. current awareness, (4) custom S.D.I. current awareness and (5) SLICE…

  12. J. Robert Oppenheimer: a faith development portrait.

    PubMed

    Hart, Curtis W

    2008-03-01

    J. Robert Oppenheimer was among the most important and enigmatic figures in 20th century science. He is best known for successfully directing the Manhattan Project that produced the first atomic bombs that were dropped on Japan at the end of World War II. Subsequently, he became a scientist and statesman who advised the United States government in the areas of atomic weapons development and public policy. He later became subject to an investigation in 1954 into his previous political affiliations and his personal behavior that ended in the revoking of his security clearance. This essay seeks to chronicle Oppenheimer's coming of age as a public intellectual with a view toward his own psychological history and most especially in relationship to the stages of faith development articulated by James Fowler and colleagues. Moreover, though not conventionally religious, Oppenheimer's life and thought were permeated with themes and ideas of a religious and ethical nature that shaped his adult character and informed his view of the world. This essay was originally presented at The Richardson History of Psychiatry Research Seminar at Weill Cornell Medical College.

  13. J. Robert Oppenheimer: a faith development portrait.

    PubMed

    Hart, Curtis W

    2008-03-01

    J. Robert Oppenheimer was among the most important and enigmatic figures in 20th century science. He is best known for successfully directing the Manhattan Project that produced the first atomic bombs that were dropped on Japan at the end of World War II. Subsequently, he became a scientist and statesman who advised the United States government in the areas of atomic weapons development and public policy. He later became subject to an investigation in 1954 into his previous political affiliations and his personal behavior that ended in the revoking of his security clearance. This essay seeks to chronicle Oppenheimer's coming of age as a public intellectual with a view toward his own psychological history and most especially in relationship to the stages of faith development articulated by James Fowler and colleagues. Moreover, though not conventionally religious, Oppenheimer's life and thought were permeated with themes and ideas of a religious and ethical nature that shaped his adult character and informed his view of the world. This essay was originally presented at The Richardson History of Psychiatry Research Seminar at Weill Cornell Medical College. PMID:19105006

  14. Toxicity of sulcotrione and grape marc on Vicia faba cells.

    PubMed

    Sta, Chaima; Goujon, Eric; Ferjani, Ezzeddine; Ledoigt, Gérard

    2014-12-10

    The cell toxicity of sulcotrione, a selective triketone herbicide, was evaluated on Vicia faba. Sulcotrione, trademark Mikado, grape marc, and mixtures of sulcotrione or Mikado with grape marc induced cell death. Addition of grape marc to either sulcotrione or Mikado enhanced cell death, especially with Mikado. Addition of grape marc to herbicides, sulcotrione, or Mikado resulted in different expression of genes usually associated with cell stress. Mixtures of grape marc and herbicides enhanced transcript accumulation for ubiquitin, hsp 70, and cytosolic superoxide dismutase, but did not change ascorbate peroxidase transcript accumulation. The results thus provide evidence that sulcotrione, Mikado, and mixtures with grape marc can trigger cell death and specific gene expressions. Cocktails of products with sulcotrione, such as commercial additives and grape marc, can modify biological features of pesticide. Moreover, grape marc differently enhanced cell toxicity of sulcotrione and Mikado, suggesting a synergy between pesticide products and grape marc.

  15. MARC for Cataloguers: An Explanation of its Use.

    ERIC Educational Resources Information Center

    Irvine, Ruth

    A seminar on practical MARC cataloging was held at Southampton University library in April 1972. MARC is an acronym for Machine Readable Cataloging, a system devised by the Library of Congress and developed with them by the British National Bibliography. MARC enables the catalog data for any given work to be read and manipulated by the computer,…

  16. NUC Reporting and MARC Redistribution: Their Functional Confluence and Its Implications for a Redefinition of the MARC Format

    ERIC Educational Resources Information Center

    Weisbrod, David L.

    1977-01-01

    This paper examines the development of NUC reporting in machine-readable form and MARC record distribution. Some technical requirements are identified and discussed in terms of their implications for a redefinition of MARC format. (Author/KP)

  17. Processing of MARC Tapes for Cooperative Use

    ERIC Educational Resources Information Center

    Bierman, Kenneth John; Blue, Betty Jean

    1970-01-01

    Discusses a centralized data base of MARC II records which is operated by the Oklahoma Department of Libraries and is available to any library in the state. The history, creation, operation, uses, advantages, disadvantages, cost and future plans of the data base are included, as well as flowcharts (both system and detail) and sample outputs.…

  18. Historic American Buildings Survey Marc Blair Photographer, Summer 1966 SOUTHWEST ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Historic American Buildings Survey Marc Blair Photographer, Summer 1966 SOUTHWEST INTERIOR DETAIL - Grace Protestant Episcopal Church, 1041 Wisconsin Avenue Northwest, Washington, District of Columbia, DC

  19. Historic American Buildings Survey Marc Blair Photographer, summer 1966 WEST ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Historic American Buildings Survey Marc Blair Photographer, summer 1966 WEST (entry) END with CHOIR LOFT - Grace Protestant Episcopal Church, 1041 Wisconsin Avenue Northwest, Washington, District of Columbia, DC

  20. Historic American Buildings Survey Marc Blair Photographer, summer 1966 DETAIL ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Historic American Buildings Survey Marc Blair Photographer, summer 1966 DETAIL of SOUTH ELEVATION - Grace Protestant Episcopal Church, 1041 Wisconsin Avenue Northwest, Washington, District of Columbia, DC

  1. Historic American Buildings Survey Marc Blair Photographer, summer 1966 SOUTH ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Historic American Buildings Survey Marc Blair Photographer, summer 1966 SOUTH ELEVATION from SOUTHWEST - Grace Protestant Episcopal Church, 1041 Wisconsin Avenue Northwest, Washington, District of Columbia, DC

  2. Antioxidant Extraction and Biogas Production from Pomegranate Marc

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The pomegranate marc (PM), by-product from pomegranate juice processing, has not been effectively utilized. The objectives of this study were to (1) determine the yields and properties of antioxidants (total phenolics) extracted from peels and seeds of pomegranate marc in wet and dry forms, and (2)...

  3. Higher-order symplectic Born-Oppenheimer molecular dynamics

    SciTech Connect

    Niklasson, Anders; Bock, Nicolas; Challacombe, Matt; Odell, Anders; Delin, Anna; Johansson, Borje

    2009-01-01

    The extended Lagrangian formulation of time-reversible Born-Oppenheimer molecular dynamics (TR-BOMD) enables the use of geometric integrators in the propagation of both the nuclear and the electronic degrees of freedom on the Born-Oppenheimer potential energy surface. Different symplectic integrators up to the 6th order have been adapted and optimized to TR-BOMD in the framework of ab initio self-consistent-field theory. It is shown how the accuracy can be significantly improved compared to a conventional Verlet integration at the same level of computational cost, in particular for the case of very high accuracy requirements.

  4. The mammalian molybdenum enzymes of mARC.

    PubMed

    Ott, Gudrun; Havemeyer, Antje; Clement, Bernd

    2015-03-01

    The "mitochondrial amidoxime reducing component" (mARC) is the most recently discovered molybdenum-containing enzyme in mammals. All mammalian genomes studied to date contain two mARC genes: MARC1 and MARC2. The proteins encoded by these genes are mARC-1 and mARC-2 and represent the simplest form of eukaryotic molybdenum enzymes, only binding the molybdenum cofactor. In the presence of NADH, mARC proteins exert N-reductive activity together with the two electron transport proteins cytochrome b5 type B and NADH cytochrome b5 reductase. This enzyme system is capable of reducing a great variety of N-hydroxylated substrates. It plays a decisive role in the activation of prodrugs containing an amidoxime structure, and in detoxification pathways, e.g., of N-hydroxylated purine and pyrimidine bases. It belongs to a group of drug metabolism enzymes, in particular as a counterpart of P450 formed N-oxygenated metabolites. Its physiological relevance, on the other hand, is largely unknown. The aim of this article is to summarize our current knowledge of these proteins with a special focus on the mammalian enzymes and their N-reductive activity.

  5. Evaluation of MARC for the analysis of rotating composite blades

    NASA Technical Reports Server (NTRS)

    Bartos, Karen F.; Ernst, Michael A.

    1993-01-01

    The suitability of the MARC code for the analysis of rotating composite blades was evaluated using a four-task process. A nonlinear displacement analysis and subsequent eigenvalue analysis were performed on a rotating spring mass system to ensure that displacement-dependent centrifugal forces were accounted for in the eigenvalue analysis. Normal modes analyses were conducted on isotropic plates with various degrees of twist to evaluate MARC's ability to handle blade twist. Normal modes analyses were conducted on flat composite plates to validate the newly developed coupled COBSTRAN-MARC methodology. Finally, normal modes analyses were conducted on four composite propfan blades that were designed, analyzed, and fabricated at NASA Lewis Research Center. Results were compared with experimental data. The research documented herein presents MARC as a viable tool for the analysis of rotating composite blades.

  6. Electronic Flux Density beyond the Born-Oppenheimer Approximation.

    PubMed

    Schild, Axel; Agostini, Federica; Gross, E K U

    2016-05-19

    In the Born-Oppenheimer approximation, the electronic wave function is typically real-valued and hence the electronic flux density (current density) seems to vanish. This is unfortunate for chemistry, because it precludes the possibility to monitor the electronic motion associated with the nuclear motion during chemical rearrangements from a Born-Oppenheimer simulation of the process. We study an electronic flux density obtained from a correction to the electronic wave function. This correction is derived via nuclear velocity perturbation theory applied in the framework of the exact factorization of electrons and nuclei. To compute the correction, only the ground state potential energy surface and the electronic wave function are needed. For a model system, we demonstrate that this electronic flux density approximates the true one very well, for coherent tunneling dynamics as well as for over-the-barrier scattering, and already for mass ratios between electrons and nuclei that are much larger than the true mass ratios.

  7. Trapped surfaces in Oppenheimer-Snyder black holes

    NASA Astrophysics Data System (ADS)

    Bengtsson, Ingemar; Jakobsson, Emma; Senovilla, José M. M.

    2013-09-01

    The Oppenheimer-Snyder solution models a homogeneous round dust cloud collapsing to a black hole. Inside its event horizon there is a region through which trapped surfaces pass. We try to determine exactly where the boundary of this region meets the center of the cloud. We present explicit examples of the relevant trapped (topological) spheres; they extend into the exterior vacuum region, and are carefully matched at the junction between the cloud and the vacuum.

  8. Complex Explosive Volcanic Activity on the Moon in Oppenheimer Crater

    NASA Astrophysics Data System (ADS)

    Horgan, B. H. N.; Bennett, K. A.; Gaddis, L. R.; Greenhagen, B. T.; Allen, C.; Hayne, P. O.; Bell, J. F., III; Paige, D. A.

    2015-12-01

    Oppenheimer is a floor-fractured crater located within the South Pole-Aitken basin on the Moon, and exhibits more than a dozen localized pyroclastic deposits associated with the fractures. Localized pyroclastic deposits on the Moon are thought to form as a result of intermittently explosive Vulcanian eruptions under low effusion rates, in contrast to the higher-effusion rates and Hawaiian-style fire fountaining inferred to form larger regional deposits. However, using new methods to derive iron mineralogy from Chandrayaan-1 Moon Mineralogy Mapper near-infrared spectra, we find that the mineralogy of the Oppenheimer pyroclastics is not consistent with a simple Vulcanian eruption mechanism. The Oppenheimer pyroclastic deposits are mixtures of pyroxene sourced from the crater floor, juvenile clinopyroxene (CPX), and juvenile iron-rich glass. A Vulcanian (plugged conduit) eruption should cause significant country rock to be incorporated into the pyroclastic deposit. However, large areas within many of the deposits exhibit spectra consistent with high abundances of juvenile phases (glass or CPX mixed with glass) and very little floor material. Thus, we propose that at least some portion of these deposits must have erupted via a Strombolian or more continuous fire fountaining eruption at higher effusion rates. Significant along-fracture mineralogical variations within many of the deposits suggest multiple eruptions and that eruption styles may have been variable in time and space. Diviner mid-infrared spectra also indicate that these local deposits may be much more iron-rich than regional pyroclastic deposits, and thus are valuable resource targets. These results suggest that local lunar pyroclastic deposits may have a more complex origin and mode of emplacement than previously thought.

  9. Complex explosive volcanic activity on the Moon within Oppenheimer crater

    NASA Astrophysics Data System (ADS)

    Bennett, Kristen A.; Horgan, Briony H. N.; Gaddis, Lisa R.; Greenhagen, Benjamin T.; Allen, Carlton C.; Hayne, Paul O.; Bell, James F.; Paige, David A.

    2016-07-01

    Oppenheimer crater is a floor-fractured crater located within the South Pole-Aitken basin on the Moon, and exhibits more than a dozen localized pyroclastic deposits associated with the fractures. Localized pyroclastic volcanism on the Moon is thought to form as a result of intermittently explosive Vulcanian eruptions under low effusion rates, in contrast to the higher-effusion rate, Hawaiian-style fire fountaining inferred to form larger regional deposits. We use Lunar Reconnaissance Orbiter Camera images and Diviner Radiometer mid-infrared data, Chandrayaan-1 orbiter Moon Mineralogy Mapper near-infrared spectra, and Clementine orbiter Ultraviolet/visible camera images to test the hypothesis that the pyroclastic deposits in Oppenheimer crater were emplaced via Vulcanian activity by constraining their composition and mineralogy. Mineralogically, we find that the deposits are variable mixtures of orthopyroxene and minor clinopyroxene sourced from the crater floor, juvenile clinopyroxene, and juvenile iron-rich glass, and that the mineralogy of the pyroclastics varies both across the Oppenheimer deposits as a whole and within individual deposits. We observe similar variability in the inferred iron content of pyroclastic glasses, and note in particular that the northwest deposit, associated with Oppenheimer U crater, contains the most iron-rich volcanic glass thus far identified on the Moon, which could be a useful future resource. We propose that this variability in mineralogy indicates variability in eruption style, and that it cannot be explained by a simple Vulcanian eruption. A Vulcanian eruption should cause significant country rock to be incorporated into the pyroclastic deposit; however, large areas within many of the deposits exhibit spectra consistent with high abundances of juvenile phases and very little floor material. Thus, we propose that at least the most recent portion of these deposits must have erupted via a Strombolian or more continuous fire

  10. Generalized extended Lagrangian Born-Oppenheimer molecular dynamics

    SciTech Connect

    Niklasson, Anders M. N. Cawkwell, Marc J.

    2014-10-28

    Extended Lagrangian Born-Oppenheimer molecular dynamics based on Kohn-Sham density functional theory is generalized in the limit of vanishing self-consistent field optimization prior to the force evaluations. The equations of motion are derived directly from the extended Lagrangian under the condition of an adiabatic separation between the nuclear and the electronic degrees of freedom. We show how this separation is automatically fulfilled and system independent. The generalized equations of motion require only one diagonalization per time step and are applicable to a broader range of materials with improved accuracy and stability compared to previous formulations.

  11. Electronic decoherence time for non-Born-Oppenheimer trajectories

    SciTech Connect

    Jasper, Ahren W.; Truhlar, Donald G.

    2005-08-08

    An expression is obtained for the electronic decoherence time of the reduced density electronic matrix in mixed quantum-classical molecular-dynamics simulations. The result is obtained by assuming that decoherence is dominated by the time dependence of the overlap of minimum-uncertainty packets and then maximizing the rate with respect to the parameters of the wave packets. The expression for the decay time involves quantities readily available in non-Born-Oppenheimer molecular-dynamics simulations, and it is shown to have a reasonable form when compared with two other formulas for the decay time that have been previously proposed.

  12. Nitrite Reductase and Nitric-oxide Synthase Activity of the Mitochondrial Molybdopterin Enzymes mARC1 and mARC2*

    PubMed Central

    Sparacino-Watkins, Courtney E.; Tejero, Jesús; Sun, Bin; Gauthier, Marc C.; Thomas, John; Ragireddy, Venkata; Merchant, Bonnie A.; Wang, Jun; Azarov, Ivan; Basu, Partha; Gladwin, Mark T.

    2014-01-01

    Mitochondrial amidoxime reducing component (mARC) proteins are molybdopterin-containing enzymes of unclear physiological function. Both human isoforms mARC-1 and mARC-2 are able to catalyze the reduction of nitrite when they are in the reduced form. Moreover, our results indicate that mARC can generate nitric oxide (NO) from nitrite when forming an electron transfer chain with NADH, cytochrome b5, and NADH-dependent cytochrome b5 reductase. The rate of NO formation increases almost 3-fold when pH was lowered from 7.5 to 6.5. To determine if nitrite reduction is catalyzed by molybdenum in the active site of mARC-1, we mutated the putative active site cysteine residue (Cys-273), known to coordinate molybdenum binding. NO formation was abolished by the C273A mutation in mARC-1. Supplementation of transformed Escherichia coli with tungsten facilitated the replacement of molybdenum in recombinant mARC-1 and abolished NO formation. Therefore, we conclude that human mARC-1 and mARC-2 are capable of catalyzing reduction of nitrite to NO through reaction with its molybdenum cofactor. Finally, expression of mARC-1 in HEK cells using a lentivirus vector was used to confirm cellular nitrite reduction to NO. A comparison of NO formation profiles between mARC and xanthine oxidase reveals similar Kcat and Vmax values but more sustained NO formation from mARC, possibly because it is not vulnerable to autoinhibition via molybdenum desulfuration. The reduction of nitrite by mARC in the mitochondria may represent a new signaling pathway for NADH-dependent hypoxic NO production. PMID:24500710

  13. Marshall Amateur Radio Club experiment (MARCE) post flight data analysis

    NASA Technical Reports Server (NTRS)

    Rupp, Charles C.

    1987-01-01

    The Marshall Amateur Radio Club Experiment (MARCE) data system, the data recorded during the flight of STS-61C, the manner in which the data was reduced to engineering units, and the performance of the student experiments determined from the data are briefly described.

  14. Extraction modeling and activities of antioxidants from pomegranate marc

    Technology Transfer Automated Retrieval System (TEKTRAN)

    To develop value-added antioxidants from the peel and seeds of pomegranate marc, a by-product after pomegranate juice processing, the effects of drying before extraction and processing parameters on the extraction kinetics and product properties were systematically studied using water as an environm...

  15. STS-97 Crew Interview: Marc Garneau, MS2

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The STS-97 Mission Specialist Marc Garneau is seen being interviewed. He answers questions about his inspiration to become an astronaut, his career path, and his training. He gives details on the mission's goals and significance, its payload, the rendezvous with the International Space Station (ISS), and what it will be like to work knowing there is already a crew on board the ISS.

  16. Something Incredibly Wonderful Happens: Frank Oppenheimer and the World He Made Up

    SciTech Connect

    K.C. Cole

    2009-10-14

    Cole discusses the extraordinary life of her late mentor, Frank Oppenheimer (1912-1985), physicist, cattle rancher, teacher and founder of the Exploratorium, a hands-on museum of science, art and human perception in San Francisco. He was the younger brother of J. Robert Oppenheimer.

  17. Born-Oppenheimer potential for H{sub 2}

    SciTech Connect

    Pachucki, Krzysztof

    2010-09-15

    The Born-Oppenheimer potential for the {sup 1}{Sigma}{sub g}{sup +} state of H{sub 2} is obtained in the range 0.1-20 a.u., using analytic formulas and recursion relations for two-center two-electron integrals with exponential functions. For small distances, the James-Coolidge basis is used, while for large distances, the Heitler-London functions with arbitrary polynomial in electron variables are used. In the whole range of internuclear distance, about 10{sup -15} precision is achieved; as an example, at the equilibrium distance r=1.4011 a.u., the Born-Oppenheimer potential amounts to -1.174 475 931 400 216 7(3). Results for the exchange energy verify the formula of Herring and Flicker [Phys. Rev. A 134, 362 (1964)] for the large-internuclear-distance asymptotics. The presented analytic approach to Slater integrals opens a window for high-precision calculations in an arbitrary diatomic molecule.

  18. Fermi Prize: J. Robert Oppenheimer Named to Receive Annual AEC Award.

    PubMed

    Oppenheimer, J R

    1963-04-12

    The White House announced last week that J. Robert Oppenheimer would be the recipient of the Atomic Energy Commission's 1963 Fermi prize. The prize, which is accompanied by a $50,000 award, is given for "especially meritorious contribution to the development, use or control of atomic energy," and, as such, is strictly a recognition of scientific merit. This fact cannot be overstated. Nevertheless, because of the bitter and emotional controversy that surrounded the removal of Oppenheimer's security clearance in 1954, the Oppenheimer case has come to symbolize the dark hour to which nonconformity and scientific integrity were subjected in the McCarthy era. Oppenheimer's selection for the award is thus widely regarded as an effort by the scientific community and the Kennedy administration to right a long-standing wrong. The following account is an appreciation of Oppenheimer, written especially for Science by his colleague, Hans Bethe, of Cornell University.

  19. Fermi Prize: J. Robert Oppenheimer Named to Receive Annual AEC Award.

    PubMed

    Oppenheimer, J R

    1963-04-12

    The White House announced last week that J. Robert Oppenheimer would be the recipient of the Atomic Energy Commission's 1963 Fermi prize. The prize, which is accompanied by a $50,000 award, is given for "especially meritorious contribution to the development, use or control of atomic energy," and, as such, is strictly a recognition of scientific merit. This fact cannot be overstated. Nevertheless, because of the bitter and emotional controversy that surrounded the removal of Oppenheimer's security clearance in 1954, the Oppenheimer case has come to symbolize the dark hour to which nonconformity and scientific integrity were subjected in the McCarthy era. Oppenheimer's selection for the award is thus widely regarded as an effort by the scientific community and the Kennedy administration to right a long-standing wrong. The following account is an appreciation of Oppenheimer, written especially for Science by his colleague, Hans Bethe, of Cornell University. PMID:17819826

  20. Experiments on Utilization of JAPAN/MARC by a Personal Computer

    NASA Astrophysics Data System (ADS)

    Asakura, Syuzo

    Realizing JAPAN/MARC for a personal computer, classification of books and collection of bibliographic data assisted with JAPAN/MARC become easy. In this paper, an experimental method of transforming JAPAN/MARC from tape to MS-DOS floppy disk is described in detail. The standard record form for a personal computer and the exchange record form for database language is proposed. The summary of the results are : JAPAN/MARC becomes available to a personal computer. The new record forms make it easy to use JAPAN/MARC by a personal computer and to exchange bibliographic data to other personal computer systems for a library.

  1. Nuclear Rotations and the Born-Oppenheimer Approximation

    SciTech Connect

    Zettili, Nouredine

    2011-10-27

    We deal here with the application of the Nuclear Born Oppenheimer (NBO) method to the description of nuclear rotations. As an edifying illustration, we apply the NBO formalism to study the rotational motion of nuclei which are axially-symmetric and even, but whose shells are not closed. We focus, in particular, on the derivation of expressions for the rotational energy and for the moment of inertia. Additionally, we examine the connection between the NBO method and the self-consistent cranking (SCC) model. Finally, we compare the moment of inertia generated by the NBO method with the Thouless-Valantin formula and hence establish a connection between the NBO method and the large body of experimental data.

  2. Non-Born-Oppenheimer calculations of the BH molecule

    SciTech Connect

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2009-07-30

    Variational calculations employing explicitly correlated Gaussian basis functions have been performed for the ground state of the boron monohydride molecule (BH) and for the boron atom (B). Up to 2000 Gaussians were used for each system. The calculations did not assume the Born-Oppenheimer (BO) approximation. In the optimization of the wave function, we employed the analytical energy gradient with respect to the Gaussian exponential parameters. In addition to the total nonrelativistic energies, we computed scalar relativistic corrections (mass-velocity and Darwin). With those added to the total energies, we estimated the dissociation energy of BH. The non-BO wave functions were also used to compute some expectation values involving operators dependent on the interparticle distances.

  3. Oppenheimer&Groves : The duality that led to Trinity /.

    SciTech Connect

    Connaughton, T. G.; Smith, S. E.

    2001-01-01

    The alliance of J. Robert Oppenheimer, scientist, and Leslie R. Groves, military leader, is often interpreted as the classic example of the clash between the academic mind and the military style. Evidence suggests, instead, that it was a collaboration that led to the dawn of the nuclear age. Instead of a clash, it was collaboration and an implosion of the diverse talents needed for the success of this project. Discussion of these flawed and fascinating individuals still ignites controversy today. This presentation will explore the backgrounds and personalities of these two men and their work together to accomplish their mission. Was the aftermath inevitable, given a relationship based on respect, but perhaps not trust? The genesis of the modern military-industrial complex rested on the genius of these two men, though they personify two distinct American sub-cultures. What lessons can be drawn from their wartime and post-war relationship? What analogies can be drawn for current American values?

  4. Grape marc reduces methane emissions when fed to dairy cows.

    PubMed

    Moate, P J; Williams, S R O; Torok, V A; Hannah, M C; Ribaux, B E; Tavendale, M H; Eckard, R J; Jacobs, J L; Auldist, M J; Wales, W J

    2014-01-01

    Grape marc (the skins, seeds, stalk, and stems remaining after grapes have been pressed to make wine) is currently a by-product used as a feed supplement by the dairy and beef industries. Grape marc contains condensed tannins and has high concentrations of crude fat; both these substances can reduce enteric methane (CH4) production when fed to ruminants. This experiment examined the effects of dietary supplementation with either dried, pelleted grape marc or ensiled grape marc on yield and composition of milk, enteric CH4 emissions, and ruminal microbiota in dairy cows. Thirty-two Holstein dairy cows in late lactation were offered 1 of 3 diets: a control (CON) diet; a diet containing dried, pelleted grape marc (DGM); and a diet containing ensiled grape marc (EGM). The diet offered to cows in the CON group contained 14.0kg of alfalfa hay dry matter (DM)/d and 4.3kg of concentrate mix DM/d. Diets offered to cows in the DGM and EGM groups contained 9.0kg of alfalfa hay DM/d, 4.3kg of concentrate mix DM/d, and 5.0kg of dried or ensiled grape marc DM/d, respectively. These diets were offered individually to cows for 18d. Individual cow feed intake and milk yield were measured daily and milk composition measured on 4d/wk. Individual cow CH4 emissions were measured by the SF6 tracer technique on 2d at the end of the experiment. Ruminal bacterial, archaeal, fungal, and protozoan communities were quantified on the last day of the experiment. Cows offered the CON, DGM, and EGM diets, ate 95, 98, and 96%, respectively, of the DM offered. The mean milk yield of cows fed the EGM diet was 12.8kg/cow per day and was less than that of cows fed either the CON diet (14.6kg/cow per day) or the DGM diet (15.4kg/cow per day). Feeding DGM and EGM diets was associated with decreased milk fat yields, lower concentrations of saturated fatty acids, and enhanced concentrations of mono- and polyunsaturated fatty acids, in particular cis-9,trans-11 linoleic acid. The mean CH4 emissions were

  5. Processing of SeaMARC swath sonar imagery

    SciTech Connect

    Pratson, L.; Malinverno, A.; Edwards, M.; Ryan, W. )

    1990-05-01

    Side-scan swath sonar systems have become an increasingly important means of mapping the sea floor. Two such systems are the deep-towed, high-resolution SeaMARC I sonar, which has a variable swath width of up to 5 km, and the shallow-towed, lower-resolution SeaMARC II sonar, which has a swath width of 10 km. The sea-floor imagery of acoustic backscatter output by the SeaMARC sonars is analogous to aerial photographs and airborne side-looking radar images of continental topography. Geologic interpretation of the sea-floor imagery is greatly facilitated by image processing. Image processing of the digital backscatter data involves removal of noise by median filtering, spatial filtering to remove sonar scans of anomalous intensity, across-track corrections to remove beam patterns caused by nonuniform response of the sonar transducers to changes in incident angle, and contrast enhancement by histogram equalization to maximize the available dynamic range. Correct geologic interpretation requires submarine structural fabrics to be displayed in their proper locations and orientations. Geographic projection of sea-floor imagery is achieved by merging the enhanced imagery with the sonar vehicle navigation and correcting for vehicle attitude. Co-registration of bathymetry with sonar imagery introduces sea-floor relief and permits the imagery to be displayed in three-dimensional perspectives, furthering the ability of the marine geologist to infer the processes shaping formerly hidden subsea terrains.

  6. Astrophysical applications of the post-Tolman-Oppenheimer-Volkoff formalism

    NASA Astrophysics Data System (ADS)

    Glampedakis, Kostas; Pappas, George; Silva, Hector O.; Berti, Emanuele

    2016-08-01

    The bulk properties of spherically symmetric stars in general relativity can be obtained by integrating the Tolman-Oppenheimer-Volkoff (TOV) equations. In previous work [K. Glampedakis, G. Pappas, H. O. Silva, and E. Berti, Phys. Rev. D 92, 024056 (2015)], we developed a "post-TOV" formalism—inspired by parametrized post-Newtonian theory—which allows us to classify in a parametrized, phenomenological form all possible perturbative deviations from the structure of compact stars in general relativity that may be induced by modified gravity at second post-Newtonian order. In this paper we extend the formalism to deal with the stellar exterior, and we compute several potential astrophysical observables within the post-TOV formalism: the surface redshift zs, the apparent radius Rapp, the Eddington luminosity at infinity LE∞ and the orbital frequencies. We show that, at leading order, all of these quantities depend on just two post-TOV parameters μ1 and χ , and we discuss the possibility to measure (or set upper bounds on) these parameters.

  7. Day After Trinity: Oppenheimer and the Atomic Bomb

    SciTech Connect

    Documentary

    2005-10-31

    On October 31st at 4:00 pm in Panofsky Auditorium SLAC’s Colloquium Series will present the exceptional Oscar-nominated documentary The Day After Trinity. The film offers invaluable insight into historic events which have forever changed the face of our world – this screening should not to be missed. After witnessing the tremendous destructive power of the atomic bomb, J. Robert Oppenheimer declared “I have become death”. Still topically relevant a quarter of a century since its release, Director Jon Else’s documentary uses interviews, archival footage, and narration to reveal the internal landscape of the man whose leadership at Los Alamos, New Mexico, defined the rise of the Manhattan Project and the beginning of the Atomic Age. The Day After Trinity traces the unexpected path of Oppenheimer’s career - from his formation of the Los Alamos colony and the first successful atomic bomb detonation at the Trinity test site in 1945, to his final years spent branded as a security risk and excluded from the atomic energy research he pioneered due to his opposition to the development of the Hydrogen bomb.

  8. Short-term stabilization of grape marc through earthworms.

    PubMed

    Gómez-Brandón, María; Lazcano, Cristina; Lores, Marta; Domínguez, Jorge

    2011-03-15

    The winery industry generates vast amounts of organic waste during the various stages of wine production. Among the possible methodological alternatives available for its treatment, vermicomposting is one of the best-known processes for the biological stabilization of solid organic wastes by transforming them into safer and more stabilized materials suitable for application to soil. In this study we carried out a mesocosm experiment to evaluate the effectiveness of the active phase of vermicomposting for the stabilization of grape marc, an enriched lignocellulosic by-product obtained after the grape crushing and pressing stages in wine production. For this we analysed the chemical, biochemical and microbiological properties of the product resulting from this phase, in comparison with those in a control treatment. Earthworm activity reduced the abundance of both bacterial and fungal PLFA biomarkers. Decreases in microbial activity and in protease and cellulase activities were also attributed to the presence of earthworms. The differences in microbial communities were accompanied by a reduction in the labile C pool and the cellulose content. These results indicate that earthworms played a key role in the stabilization of the grape marc in the short-term, via its effects on organic matter decomposition and microbial biomass and activity.

  9. The Application of Microcomputer-Based Local Systems with the MARC AMC Format.

    ERIC Educational Resources Information Center

    Honhart, Frederick L.

    1988-01-01

    Considers the effects of the new MARC AMC (Archival and Manuscripts Control) format when applied to a microcomputer-based local system for archival operations. Development of the MicroMARC:amc system at Michigan State University is described, and the implications of technological changes on such systems are discussed. (MES)

  10. The fight for 'traumatic neurosis', 1889-1916: Hermann Oppenheim and his opponents in Berlin.

    PubMed

    Holdorff, Bernd

    2011-12-01

    The concept of traumatic neurosis conceived by Hermann Oppenheim (1858-1919) located post-traumatic nervous symptoms between hysteria and neurasthenia, considering them a consequence of physical reactions to fright and a cause of molecular tissue changes. As early as 1890, his concept was criticized at an international congress in Berlin. In February 1916, there was a significant debate of the issue in Berlin, and eventually Oppenheim's concept was completely defeated at the war meeting of German neuropsychiatrists in September 1916 in Munich. In the Berlin debate, a range of views on war neurosis was presented. Partly as a result of this, but also due to the powerful position of Oppenheim himself, it was not until after the end of WWI that traumatic neurosis was excluded from medico-legal assessments. The differing views of physiological brain-mind relations from that time do not differ greatly from present concepts. However, Oppenheim's traumatic neurosis with its more quasi-neurological picture should not be equated with PTSD.

  11. Helium-antihydrogen interaction: the Born-Oppenheimer potential energy curve.

    PubMed

    Strasburger, Krzysztof; Chojnacki, Henryk

    2002-04-22

    The interaction of atomic antihydrogen with helium has been studied within the Born-Oppenheimer approximation. The linear combination of explicitly correlated Gaussian functions was used as the ansatz for the wave function of light particles. The potential energy curve with the minimum at 3.63 bohr and the barrier at 2.42 bohr has been obtained.

  12. More Than 100 Gather to Honor Joost Oppenheim on His 80th Birthday | Poster

    Cancer.gov

    By Nancy Parrish, Staff Writer They came from as far away as Russia and Japan, and from as nearby as the NCI at Frederick/Fort Detrick campus, Bethesda, and Baltimore, all with one purpose: to honor the mentor, colleague, and friend they have in Joost Oppenheim, as he celebrated his 80th birthday.

  13. Effects of Korean Red Ginseng marc with aluminum sulfate against pathogen populations in poultry litters

    PubMed Central

    Chung, Tae Ho; Park, Chul; Choi, In Hag

    2015-01-01

    Background The aim of this study was to evaluate the effects of Korean Red Ginseng marc with aluminum sulfate as litter amendments on ammonia, soluble reactive phosphorus, and pathogen populations in poultry litters. Methods Increasing levels of Korean Red Ginseng marc with aluminum sulfate were applied onto the surface of rice hull as a top-dress application; untreated rice hulls served as controls. Results: Treatment with Korean Red Ginseng marc with aluminum sulfate or aluminum sulfate alone resulted in lower litter pH (p < 0.05), as compared with that of the controls. There were some differences (p < 0.05) between treatments with Korean Red Ginseng marc with aluminum sulfate or aluminum sulfate alone and controls at 2–4 wk (not at 1 wk). Ammonia levels reduced on an average by 29%, 30%, and 32% for 10 g, 20 g Korean Red Ginseng marc with aluminum sulfate, and aluminum sulfate alone, respectively, as compared with controls at 4 wk. During the experiment, Korean Red Ginseng marc with aluminum sulfate or aluminum sulfate treatment had an effect (p < 0.05) on soluble reactive phosphorus content, as compared with the controls (not at 4 wk). A decrease in Salmonella enterica and Escherichia coli was observed (p < 0.05) in litter amended with both Korean Red Ginseng marc with aluminum sulfate and aluminum sulfate alone, as compared with the control, except at 1–3 wk for Salmonella enterica and 1 wk and 4 wk for Escherichia coli, respectively. Conclusion The results showed that using Korean Red Ginseng marc with aluminum sulfate (blends), which act as acidifying agents by reducing the pH of the litter, was equally effective as aluminum sulfate in reducing the environmental impact. PMID:26869836

  14. Estimated Rock Abundance and Thermophysical Parameters in Oppenheimer Crater on the Moon

    NASA Astrophysics Data System (ADS)

    Bauch, Karin E.; Hiesinger, Harald; Ivanov, Mikhail; van der Bogert, Carolyn H.; Pasckert, Jan-Hendrik; Weinauer, Julia

    2016-04-01

    Oppenheimer crater is located in the north-east of the South Pole-Aitken basin (SPA), the largest impact structure on the Moon [e.g., 1]. The crater is ˜215km in diameter and has an estimated age of ˜4.1 Ga [2]. The floor of Oppenheimer shows evidence of dark mantling deposits and a concentric system of graben structures close to the rim of the crater [3]. Image and topography data show that the floor is flat apart from the graben structures and subsequent impacts on the floor. Oppenheimer-U (˜40km) and -H (˜35km) are floor-fractured craters within the north-west and south-east portions of Oppenheimer crater [3]. Dark mantling deposits on the floor are associated with the graben system. [3] estimated an age between ˜3.98Ga and ˜3.66Ga for the pyroclastic activity, based on crater size-frequency distribution (CSFD) measurements on Lunar Reconnaissance Orbiter (LRO) WAC and NAC images. In this study we compare the mapping results of [3] with temperature data of the LRO Diviner experiment [4] using a numerical model [5, 6]. Nighttime temperature variations are directly influenced by the surface and subsurface thermophysical properties, namely bulk density, heat capacity, and thermal conductivity [7, 8]. These properties can be summarized to a thermal inertia, which represents the ability to conduct and store heat [8]. Low thermal inertia units, such as dust and other fine grained material, quickly respond to temperature changes, which results in large temperature amplitudes between the lunar day and night. On the other hand, high thermal inertia material, e.g. rocks or bedrock, take more time to heat up during the day and reradiate the heat during the night [8]. Relative rock abundances are derived from temperature measurements of the same location at different wavelengths. Brightness temperatures are a function of wavelength and increase with decreasing wavelength [9, 10]. This nonlinearity of the Planck radiance can be used to determine the amount of

  15. Compartmentalization of Science, Power and Social Responsibility as exemplified in the life of J. Robert Oppenheimer.

    NASA Astrophysics Data System (ADS)

    van de Merwe, Willem; Ream, Todd

    2007-03-01

    Many biographies of J. Robert Oppenheimer have recently been published; each emphasizing some different aspects of his life. Physicists can learn much about physics in the early 1900s and about the practice of physics in society from these biographies. Oppenheimer, the ``father of the atomic bomb,'' seems to have struggled early in life with finding a framework for understanding himself and for finding guidance for making responsible decisions. In this paper, we will briefly consider his upbringing in the Ethical Cultural School, his studies in physics in Europe, passion for poetry, including the influence of the Bhagavad-Gita, and his initial sympathizing with left-wing political groups. In this context, we will consider whether a quality liberal arts education might help physics students formulate their framework to guide them throughout the course of their career in science.

  16. The structure of the second-order non-Born-Oppenheimer density matriz D2:

    NASA Astrophysics Data System (ADS)

    Ludena, Eduardo; Iza, Peter; Aray, Yosslen; Cornejo, Mauricio; Zambrano, Dik

    Properties of the non-Born-Oppenheimer 2-matrix are examined. Using a coordinate system formed by internal translationally invariant plus the total center-of-mass coordinates it is shown that regardless of the point of reference selected, the operator for the reduced second order density matrix, 2-RDM, solely depends upon the translationally invariant internal coordinates. We apply this result to examine the nature of the 2-RDM extracted from the exact analytical solutions for model non-Born-Oppenheimer four-particle systems of the Coulomb-Hooke and Moshinsky types. We obtain for both these models explicit closed-form analytic expressions for the electron and nuclear 2-RDM. An explicit expression is also obtained for the electron-nuclear 2-RDM in the Moshinsky case, which shows coupling between the electron and nuclear coordinates. EVL and YA acknowledge support of SENESCYT's Prometheus Program.

  17. Coherent states, quantum gravity, and the Born-Oppenheimer approximation. I. General considerations

    NASA Astrophysics Data System (ADS)

    Stottmeister, Alexander; Thiemann, Thomas

    2016-06-01

    This article, as the first of three, aims at establishing the (time-dependent) Born-Oppenheimer approximation, in the sense of space adiabatic perturbation theory, for quantum systems constructed by techniques of the loop quantum gravity framework, especially the canonical formulation of the latter. The analysis presented here fits into a rather general framework and offers a solution to the problem of applying the usual Born-Oppenheimer ansatz for molecular (or structurally analogous) systems to more general quantum systems (e.g., spin-orbit models) by means of space adiabatic perturbation theory. The proposed solution is applied to a simple, finite dimensional model of interacting spin systems, which serves as a non-trivial, minimal model of the aforesaid problem. Furthermore, it is explained how the content of this article and its companion affect the possible extraction of quantum field theory on curved spacetime from loop quantum gravity (including matter fields).

  18. Monotone-short solutions of the Tolman-Oppenheimer-Volkoff-de Sitter equation

    NASA Astrophysics Data System (ADS)

    Hsu, Cheng-Hsiung; Makino, Tetu

    2016-09-01

    It is known that spherically symmetric static solutions of the Einstein equations with a positive cosmological constant for the energy-momentum tensor of a barotropic perfect fluid are governed by the Tolman-Oppenheimer-Volkoff-de Sitter equation. Some sufficient conditions for the existence of monotone-short solutions (with finite radii) of the equation are given in this article. Then we show that the interior metric can extend to the exterior Schwarzschild-de Sitter metric on the exterior vacuum region with twice continuous differentiability. In addition, we investigate the analytic property of the solutions at the vacuum boundary. Our result (Theorem 1) can be considered as the de Sitter version of the result by Rendall and Schmidt [Classical Quantum Gravity 8, 985-1000 (1991)]. Furthermore, one can see that there are different properties of the solutions with those of the Tolman-Oppenheimer-Volkoff equation (with zero cosmological constant) in certain situation.

  19. The Influence of Men's Income and Employment on Marriage and Cohabitation: Testing Oppenheimer's Theory in Europe.

    PubMed

    Kalmijn, Matthijs

    2011-08-01

    This article discusses Oppenheimer's theory on marriage timing, reviews the way this theory was received in European demography and family sociology, and develops a new test of the theory using annual panel data from 13 European countries for the period 1994-2001. Several indicators of men's economic status are used, including school enrollment, employment, type of labor contract, work experience, income, and education. Effects of these indicators are estimated for the transition to marriage and cohabitation, as well as for the transition from cohabitation to marriage. Country differences in these effects are examined as well. The evidence provides strong support for the male breadwinner hypothesis on the one hand, and for Oppenheimer's career uncertainty hypothesis on the other. However, the relevance of these hypotheses also depends on the national context, and especially on the way gender roles are divided in a society.

  20. Semiempirical evaluation of post-Hartree-Fock diagonal-Born-Oppenheimer corrections for organic molecules.

    PubMed

    Mohallem, José R

    2008-04-14

    Recent post-Hartree-Fock calculations of the diagonal-Born-Oppenheimer correction empirically show that it behaves quite similar to atomic nuclear mass corrections. An almost constant contribution per electron is identified, which converges with system size for specific series of organic molecules. This feature permits pocket-calculator evaluation of the corrections within thermochemical accuracy (10(-1) mhartree or kcal/mol). PMID:18412429

  1. Vibrationally averaged post Born-Oppenheimer isotopic dipole moment calculations approaching spectroscopic accuracy.

    PubMed

    Arapiraca, A F C; Jonsson, Dan; Mohallem, J R

    2011-12-28

    We report an upgrade of the Dalton code to include post Born-Oppenheimer nuclear mass corrections in the calculations of (ro-)vibrational averages of molecular properties. These corrections are necessary to achieve an accuracy of 10(-4) debye in the calculations of isotopic dipole moments. Calculations on the self-consistent field level present this accuracy, while numerical instabilities compromise correlated calculations. Applications to HD, ethane, and ethylene isotopologues are implemented, all of them approaching the experimental values. PMID:22225162

  2. Radio and reason—the Reith lectures and J Robert Oppenheimer

    NASA Astrophysics Data System (ADS)

    Brake, Mark; Griffiths, Martin

    2009-09-01

    Radio broadcasting offers a unique opportunity to reach the public and facilitate their entertainment and education. In this vein, a series of high profile lectures in honour of Sir John Reith was initiated by the BBC in 1948 as a way of introducing the public to some of the greatest scientists of the age, enabling such thinkers to spread a message of communication and scientific sense to the British public. This essay examines J Robert Oppenheimer's 1953 Reith lectures and their relevance today.

  3. Vibrationally averaged post Born-Oppenheimer isotopic dipole moment calculations approaching spectroscopic accuracy

    NASA Astrophysics Data System (ADS)

    Arapiraca, A. F. C.; Jonsson, Dan; Mohallem, J. R.

    2011-12-01

    We report an upgrade of the Dalton code to include post Born-Oppenheimer nuclear mass corrections in the calculations of (ro-)vibrational averages of molecular properties. These corrections are necessary to achieve an accuracy of 10-4 debye in the calculations of isotopic dipole moments. Calculations on the self-consistent field level present this accuracy, while numerical instabilities compromise correlated calculations. Applications to HD, ethane, and ethylene isotopologues are implemented, all of them approaching the experimental values.

  4. Corrections to the Born-Oppenheimer approximation for a harmonic oscillator

    NASA Astrophysics Data System (ADS)

    Patterson, Chris W.

    1993-02-01

    We derive simple expressions for the energy corrections to the Born-Oppenheimer approximation valid for a harmonic oscillator. We apply these corrections to the electronic and rotational ground state of H+2 and show that the diabatic energy corrections are linearly dependent on the vibrational quantum numbers as seen in recent variational calculations [D. A. Kohl and E. J. Shipsey, J. Chem. Phys. 84, 2707 (1986)].

  5. Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?

    PubMed

    Min, Seung Kyu; Abedi, Ali; Kim, Kwang S; Gross, E K U

    2014-12-31

    We demonstrate that the molecular Berry phase and the corresponding nonanalyticity in the electronic Born-Oppenheimer wave function is, in general, not a true topological feature of the exact solution of the full electron-nuclear Schrödinger equation. For a numerically exactly solvable model we show that a nonanalyticity, and the associated geometric phase, only appear in the limit of infinite nuclear mass, while a perfectly smooth behavior is found for any finite nuclear mass. PMID:25615322

  6. Carbon and nitrogen mineralization in a vineyard soil amended with grape marc vermicompost.

    PubMed

    Paradelo, Remigio; Moldes, Ana Belén; Barral, María Teresa

    2011-11-01

    Vineyard soils in many areas suffer from low organic matter contents, which can be the cause of negative effects such as increasing the risk of erosion, so the use of organic amendments must be considered a good agricultural practice. Even more, if grape marc is recycled as a soil amendment in the vineyards, benefits from a good waste management strategy are also obtained. In the present study, a grape marc from the wine region of Valdeorras (north-west Spain) was used for the production of vermicompost, and this added to a vineyard soil of the same area in a laboratory study. Mixtures of soil and grape marc vermicompost (2 and 4%, dry weight) were incubated for ten weeks at 25°C and the mineralization of C and N studied. The respiration data were fitted to a first-order kinetic model. The rates of grape marc vermicompost which should be added to the vineyard soil in order to maintain the initial levels of organic matter were estimated from the laboratory data, and found to be 1.7 t ha(-1) year(-1) of bulk vermicompost (if the present mean temperature is considered) and 2.1 t ha(-1) year(-1) of bulk vermicompost (if a 2°C increment in temperature is considered), amounts which could be obtained recycling the grape marc produced in the exploitation.

  7. Carbon and nitrogen mineralization in a vineyard soil amended with grape marc vermicompost.

    PubMed

    Paradelo, Remigio; Moldes, Ana Belén; Barral, María Teresa

    2011-11-01

    Vineyard soils in many areas suffer from low organic matter contents, which can be the cause of negative effects such as increasing the risk of erosion, so the use of organic amendments must be considered a good agricultural practice. Even more, if grape marc is recycled as a soil amendment in the vineyards, benefits from a good waste management strategy are also obtained. In the present study, a grape marc from the wine region of Valdeorras (north-west Spain) was used for the production of vermicompost, and this added to a vineyard soil of the same area in a laboratory study. Mixtures of soil and grape marc vermicompost (2 and 4%, dry weight) were incubated for ten weeks at 25°C and the mineralization of C and N studied. The respiration data were fitted to a first-order kinetic model. The rates of grape marc vermicompost which should be added to the vineyard soil in order to maintain the initial levels of organic matter were estimated from the laboratory data, and found to be 1.7 t ha(-1) year(-1) of bulk vermicompost (if the present mean temperature is considered) and 2.1 t ha(-1) year(-1) of bulk vermicompost (if a 2°C increment in temperature is considered), amounts which could be obtained recycling the grape marc produced in the exploitation. PMID:20837558

  8. Cell wall compounds of red grapes skins and their grape marcs from three different winemaking techniques.

    PubMed

    Apolinar-Valiente, Rafael; Romero-Cascales, Inmaculada; Gómez-Plaza, Encarna; López-Roca, José María; Ros-García, José María

    2015-11-15

    Different winemaking practices are aimed at increasing cell wall degradation to facilitate extraction of valuables molecules into the wine. However, little attention has been paid to the composition of marcs from different cultivars according to the influence of the winemaking procedures. We provide information on skin cell walls from Cabernet Sauvignon, Syrah and Monastrell grapes and examine how different winemaking practices (addition of enzymatic preparation and β-galactosidase separately and dry ice addition) may affect the composition of marc skin cell wall material (CWM). The efficiency of CWM isolation from the grape skin and also its composition is influenced by the cultivar. A similar cultivar influence has been detected on CWM from the marc, being the differences also due to the enological technique. Our results help to increase our knowledge on the degradation of cell walls during vinification, while providing a valuable guideline to upgrade the value of these by-products. PMID:25977002

  9. Translation table for DOE/OSTI - COSATI bibliographic records to MARC format records

    SciTech Connect

    Gursky, K.; Holtkamp, I.; Landenberger, S.; Ostrander, C.; Nook, C.; Shanks, M.; Hall, M.

    1985-11-01

    This report contains the recommendations of the committee for the conversion of data in OSTI fields to MARC fields. It is intended as a tool for OSTI to use in developing software that would enable DOE libraries to download OSTI records into MARC-based systems. Goal is to transfer as complete a set of data for each record as possible. No attempt was made to incorporate changes in the use of numerical tags that OSTI has made over the years. In addition, there are a few OSTI fields generated for internal OSTI use only, or that cannot be transferred into any MARC field in the Books format; these OSTI fields have been designated as ''not converted'' in the table.

  10. Cell wall compounds of red grapes skins and their grape marcs from three different winemaking techniques.

    PubMed

    Apolinar-Valiente, Rafael; Romero-Cascales, Inmaculada; Gómez-Plaza, Encarna; López-Roca, José María; Ros-García, José María

    2015-11-15

    Different winemaking practices are aimed at increasing cell wall degradation to facilitate extraction of valuables molecules into the wine. However, little attention has been paid to the composition of marcs from different cultivars according to the influence of the winemaking procedures. We provide information on skin cell walls from Cabernet Sauvignon, Syrah and Monastrell grapes and examine how different winemaking practices (addition of enzymatic preparation and β-galactosidase separately and dry ice addition) may affect the composition of marc skin cell wall material (CWM). The efficiency of CWM isolation from the grape skin and also its composition is influenced by the cultivar. A similar cultivar influence has been detected on CWM from the marc, being the differences also due to the enological technique. Our results help to increase our knowledge on the degradation of cell walls during vinification, while providing a valuable guideline to upgrade the value of these by-products.

  11. Subject Access Points in the MARC Record and Archival Finding Aid: Enough or Too Many?

    ERIC Educational Resources Information Center

    Cox, Elizabeth; Czechowski, Leslie

    2007-01-01

    In this research project, the authors set out to discover the current practice in both the archival and cataloging worlds for usage of access points in descriptive records and to learn how archival descriptive practices fit into long-established library cataloging procedures and practices. A sample of archival finding aids and MARC records at 123…

  12. Integrated extraction and anaerobic digestion process for recovery of nutraceuticals and biogas from pomegranate marcs

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Pomegranate marc (PM), a by-product from pomegranate juice processing, has not been effectively utilized. The objectives of this study were to (1) determine the yields and properties of antioxidants (henceforth referring to total phenolics in terms of tannic acid equivalent) and oil extracted from v...

  13. Mathematics, Art, Research, Collaboration, and Storytelling: The High M.A.R.C.S. Project

    ERIC Educational Resources Information Center

    Reilly, Edel M.; Pagnucci, Gian S.

    2007-01-01

    This article describes a curriculum integration project designed to help students better contextualize their learning: The High M.A.R.C.S. Project linked mathematics, art, research, collaboration, and storytelling. The article explains the project in detail, discusses sample student work from the project, and describes how the project work was…

  14. BIBCON--A General Purpose Software System for MARC-Based Book Catalog Production

    ERIC Educational Resources Information Center

    Gibson, Liz

    1973-01-01

    The BIBCON file management system, designed for use on IBM 360 system equipment, performs two basic functions: (1) it creates MARC structured, bibliographic records from untagged input data; (2) from these records it produces page image output for book catalogs. (7 references) (Author)

  15. Using the MARC Format for Archives and Manuscripts Control to Catalog Published Microfilms of Manuscripts Collections.

    ERIC Educational Resources Information Center

    Hodges, Martha

    1989-01-01

    Discusses the advantages of using the MARC format for Archives and Manuscripts Control (AMC), rather than the format for books, to meet the needs of researchers seeking primary source materials. Topics covered include the history and components of the AMC format and searching the AMC file. (seven notes/references) (CLB)

  16. The Marc Hall Prom Predicament: Queer Individual Rights v. Institutional Church Rights in Canadian Public Education

    ERIC Educational Resources Information Center

    Grace, Andre P.; Wells, Kristopher

    2005-01-01

    In 2002, Marc Hall's principal denied him permission to take his boyfriend to his Catholic high-school prom. In examining the politicization of the ensuing prom predicament, we critique Catholicized education and what we perceive to be the Catholic Church's efforts to privatize queerness as it segregates being religious from being sexual. We…

  17. Margedos: A Marc-Like Format for Genealogy with Provision for Documentation.

    ERIC Educational Resources Information Center

    Lamb, Connie

    The purpose of this project was to create a machine-readable format for genealogical data. The Library of Congress MARC (Machine Readable Cataloging) bibliographic system was used as the pattern in producing the format. Tags and codes were used to uniquely identify the components of the record for computer manipulation. The resultant structure,…

  18. Analysis of Readex's Serial Set MARC Records: Improving the Data for the Library Catalog

    ERIC Educational Resources Information Center

    Draper, Daniel; Lederer, Naomi

    2013-01-01

    Colorado State University Libraries (CSUL) purchased the digitized "United States Congressional Serial Set," 1817-1994 and "American State Papers" (1789-1838) from the Readex Division of NewsBank, Inc. and, once funds and records were available, the accompanying MARC records. The breadth of information found in the "Serial Set" is described, along…

  19. Towards universal potentials for (H2)2 and isotopic variants: post-Born-Oppenheimer contributions.

    PubMed

    Diniz, Leonardo G; Mohallem, José R

    2008-06-01

    Adiabatic corrections are evaluated for the interaction of two hydrogen molecules (H(2))(2) and isotopic variants. Their contribution to the cluster formation amount up to 10% of the interaction energy. Added to the best ab initio Born-Oppenheimer isotropic potential, they correct especially its short range repulsive part. Calculations of second virial coefficients are improved in general, with an impressive agreement with experiments for gaseous D(2) in a large range of temperatures. The potentials are available in both analytical and numerical forms. PMID:18537421

  20. Complex explosive volcanic activity on the Moon within Oppenheimer crater, Icarus

    USGS Publications Warehouse

    Bennett, Kristen A; Horgan, Briony H N; Gaddis, Lisa R.; Greenhagen, Benjamin T; Allen, Carlton C.; Hayne, Paul O; Bell, James F III; Paige, David A.

    2016-01-01

    Oppenheimer Crater is a floor-fractured crater located within the South Pole-Aitken basin on the Moon, and exhibits more than a dozen localized pyroclastic deposits associated with the fractures. Localized pyroclastic volcanism on the Moon is thought to form as a result of intermittently explosive Vulcanian eruptions under low effusion rates, in contrast to the higher-effusion rate, Hawaiian-style fire fountaining inferred to form larger regional deposits. We use Lunar Reconnaissance Orbiter Camera images and Diviner Radiometer mid-infrared data, Chandrayaan-1 orbiter Moon Mineralogy Mapper near-infrared spectra, and Clementine orbiter Ultraviolet/Visible camera images to test the hypothesis that the pyroclastic deposits in Oppenheimer crater were emplaced via Vulcanian activity by constraining their composition and mineralogy. Mineralogically, we find that the deposits are variable mixtures of orthopyroxene and minor clinopyroxene sourced from the crater floor, juvenile clinopyroxene, and juvenile iron-rich glass, and that the mineralogy of the pyroclastics varies both across the Oppenheimer deposits as a whole and within individual deposits. We observe similar variability in the inferred iron content of pyroclastic glasses, and note in particular that the northwest deposit, associated with Oppenheimer U crater, contains the most iron-rich volcanic glass thus far identified on the Moon, which could be a useful future resource. We propose that this variability in mineralogy indicates variability in eruption style, and that it cannot be explained by a simple Vulcanian eruption. A Vulcanian eruption should cause significant country rock to be incorporated into the pyroclastic deposit; however, large areas within many of the deposits exhibit spectra consistent with high abundances of juvenile phases and very little floor material. Thus, we propose that at least the most recent portion of these deposits must have erupted via a Strombolian or more continuous fire

  1. Coherent states, quantum gravity, and the Born-Oppenheimer approximation. III.: Applications to loop quantum gravity

    NASA Astrophysics Data System (ADS)

    Stottmeister, Alexander; Thiemann, Thomas

    2016-08-01

    In this article, the third of three, we analyse how the Weyl quantisation for compact Lie groups presented in the second article of this series fits with the projective-phase space structure of loop quantum gravity-type models. Thus, the proposed Weyl quantisation may serve as the main mathematical tool to implement the program of space adiabatic perturbation theory in such models. As we already argued in our first article, space adiabatic perturbation theory offers an ideal framework to overcome the obstacles that hinder the direct implementation of the conventional Born-Oppenheimer approach in the canonical formulation of loop quantum gravity.

  2. Non-Born-Oppenheimer calculations of the HD molecule in a strong magnetic field

    NASA Astrophysics Data System (ADS)

    Adamowicz, Ludwik; Tellgren, Erik I.; Helgaker, Trygve

    2015-10-01

    An effective variational non-Born-Oppenheimer method is applied to calculate the ground state of the HD molecule in a strong magnetic field. The Hamiltonian used in the calculations is obtained by subtracting the operator representing the kinetic energy of the center-of-mass motion from the total laboratory-frame Hamiltonian. Orbital basis sets are used for the deuteron, the proton, and the electrons. Based on the calculated expectation values, it is determined that, with increasing field strength, the bond length decreases and the alignment of the molecule with the field increases.

  3. Metal cluster structures and properties from Born-Oppenheimer molecular dynamics

    SciTech Connect

    Calaminici, Patrizia Köster, Andreas M. Vásquez-Pérez, José Manuel Martínez, Gabriel Ulises Gamboa

    2015-01-22

    Density functional theory (DFT) Born-Oppenheimer molecular dynamics (BOMD) simulations of metal clusters are presented. The calculations have been performed with the deMon2k [1] code employing all-electron basis sets and local and non-local functionals. The capability to perform reasonable long (∼ 100 ps) first-principle BOMD simulations in order to explore potential energy landscape of metallic clusters will be presented [2,3]. The evolution of the cluster structures and properties, such as polarizability and heat capacity, with temperature is discussed.

  4. Corrections to the Born-Oppenheimer approximation by means of perturbation theory

    SciTech Connect

    Fernandez, F.M. )

    1994-10-01

    We develop an efficient method for the calculation of corrections to the Born-Oppenheimer approximation by means of perturbation theory. The perturbation terms through sixth order in the small parameter [kappa]=([ital m]/[ital M])[sup 1/4], where [ital m] and [ital M] are, respectively, electronic and nuclear masses, allow the construction of an effective vibrational Hamiltonian that takes into account adiabatic and nonadiabatic effects. The latter is negative and linearly dependent on the vibrational quantum numbers. We illustrate the application of the main equations and verify the general results by means of an exactly solvable model of two coupled harmonic oscillators.

  5. Extended Lagrangian Born-Oppenheimer molecular dynamics in the limit of vanishing self-consistent field optimization

    SciTech Connect

    Souvatzis, Petros; Niklasson, Anders M. N.

    2013-12-07

    We present an efficient general approach to first principles molecular dynamics simulations based on extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The reduction of the optimization requirement reduces the computational cost to a minimum, but without causing any significant loss of accuracy or long-term energy drift. The optimization-free first principles molecular dynamics requires only one single diagonalization per time step, but is still able to provide trajectories at the same level of accuracy as “exact,” fully converged, Born-Oppenheimer molecular dynamics simulations. The optimization-free limit of extended Lagrangian Born-Oppenheimer molecular dynamics therefore represents an ideal starting point for robust and efficient first principles quantum mechanical molecular dynamics simulations.

  6. Computation of Raman Spectra from Density Matrix Linear Response Theory in Extended Lagrangian Born-Oppenheimer Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Niklasson, Anders; Coe, Joshua; Cawkwell, Marc

    2011-06-01

    Linear response calculations based on density matrix perturbation theory [A. M. N. Niklasson and M. Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] have been developed within a self-consistent tight-binding method for extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett., 100, 123004 (2008)]. Besides the nuclear coordinates, extended auxiliary electronic degrees of freedom are added to the regular Born-Oppenheimer Lagrangian, both for the electronic ground state and response densities. This formalism enables highly efficient, on-the-fly, analytic computations of the polarizability autocorrelation functions and the Raman spectra during energy conserving Born-Oppenheimer molecular dynamics trajectories. We will illustrate these capabilities via time-resolved Raman spectra computed during explicit, reactive molecular dynamics simulations of the shock compression of methane, benzene, tert-butylacetylene. Comparisons will be made with experimental results where possible.

  7. Is the Breakdown of the Born-Oppenheimer Approximation Responsible for Internal Conversion in Large Molecules?*

    PubMed Central

    Burland, D. M.; Robinson, G. W.

    1970-01-01

    Vibronic radiationless transitions in large polyatomic molecules can be thought of as a process whereby the molecule, initially prepared in a discrete quasistationary state, makes a transition to an adjoining vibronic continuum belonging to a lower electronic state of the same multiplicity. In many instances the transition is analogous to penetration through a barrier between two „nested” potential sheets far away from an actual intersection of the sheets. Simultaneous distortions of vibrational and electronic parts of the wavefunction are required for such a tunneling process. The vibrational distortion manifests itself in the familiar Franck-Condon effect. The electronic distortion can be caused by nontotally symmetric vibrations of the molecule either because of the displaced nuclear configuration, to which the electrons instantly respond (Herzberg-Teller effect), or because of the protracted response of the electrons to the kinetic energy of nuclear motion (nonadiabatic effect or the breakdown of the Born-Oppenheimer approximation). It is found here that Herzberg-Teller coupling is more effective in causing radiationless transitions than the breakdown of the Born-Oppenheimer approximation when the potential surfaces involved are not close to an intersection. PMID:16591837

  8. Isotope effects and Born-Oppenheimer breakdown in excited singlet states of the lithium dimer.

    PubMed

    Adohi-Krou, A; Martin, F; Ross, A J; Linton, C; Le Roy, R J

    2004-10-01

    Observation of infrared electronic transitions involving the 1 (1)Deltag state of 7Li2 has instigated an investigation of Born-Oppenheimer breakdown in four singlet electronic states correlating with (2s+2s), (2s+2p), and (2p+2p) lithium atoms. The 1 (1)Deltag state, which correlates at long range with (2p+2p) atoms, has been observed in emission from the (5p) (1)Piu Rydberg state and in 1 (1)Deltag-B (1)Piu bands, in both instances following optical-optical double-resonance excitation. The latter transition was observed previously for the lighter isotopomer, 6Li2 [C. Linton, F. Martin, P. Crozet, A. J. Ross, and R. Bacis, J. Mol. Spectrosc. 158, 445 (1993)]. By analyzing multiple-isotopomer data for several electronic systems simultaneously, we have determined the electronic isotope shifts and the leading vibrational and/or rotational Born-Oppenheimer breakdown terms for the X (1)Sigmag+, A (1)Sigmau+, B (1)Piu, and 1 (1)Deltag states of the lithium dimer. This paper also reports Fourier transform measurements of the B-X absorption spectra of 6Li2 and 7Li2, which were required to better define the bottom portion of the B (1)Piu state potential.

  9. Vermicomposting grape marc yields high quality organic biofertiliser and bioactive polyphenols.

    PubMed

    Domínguez, Jorge; Martínez-Cordeiro, Hugo; Álvarez-Casas, Marta; Lores, Marta

    2014-12-01

    Grape is the largest fruit crop in the world, and most (80%) of the harvested fruit is used to make wine. The main by-product of the wine industry is called grape marc, which consists of the stalks, skin, pulp and seeds that remain after pressing the grapes. The aim of this study was to evaluate whether grape marc could be processed by vermicomposting on an industrial scale to yield both a high-quality organic, polyphenol-free fertiliser and grape seeds (as a source of bioactive polyphenols). Vermicomposting reduced the biomass of grape marc substantially (by 58%), mainly as a result of the loss of volatile solids. After 2 weeks, the process yielded a nutrient-rich, microbiologically active and stabilised peat-like material that was easily separated from the seeds by sieving. Although the polyphenol content of the seeds was considerably reduced, this disadvantage was outweighed by the ease of separation of the seeds. Separation of the seeds also eliminated the polyphenol-associated phytotoxicity from the vermicompost. The seeds still contained useful amounts of polyphenols, which could be directly extracted for use in the pharmaceutical, cosmetic and food industries. The procedure described is effective, simple and economical, and could easily be scaled up for industrial application. PMID:25349068

  10. Micro-scale energy valorization of grape marcs in winery production plants

    SciTech Connect

    Fabbri, Andrea; Bonifazi, Giuseppe; Serranti, Silvia

    2015-02-15

    Highlights: • BioMethane Potential of grape marcs was investigated. • Grape marcs were characterized to realize a micro-scale energy recovery. • Comparative BMP batch-tests utilizing lab-scale reactors were performed. • Biogas valorization by grape marcs anaerobic digestion at small scale is evaluated. - Abstract: The BiochemicalMethanePotential (BMP) of winery organic waste, with reference to two Italian red and white grapes (i.e. Nero Buono and Greco) by-products was investigated. The study was carried out to verify the possibility to reduce the production impact in a green-waste-management-chain-perspective. The possibility to efficiently utilize wine-related-by-products for energy production at a micro-scale (i.e. small-medium scale winery production plant) was also verified. Results showed as a good correlation can be established between the percentage of COD removal and the biogas production, as the winery can produce, from its waste methanization, about 7800 kW h year{sup −1} electrical and 8900 kW h year{sup −1} thermal. A critical evaluation was performed about the possibility to utilize the proposed approach to realize an optimal biomass waste management and an energetic valorization in a local-energy-production-perspective.

  11. Outlining a selection procedure for Saccharomyces cerevisiae isolated from grape marc to improve fermentation process and distillate quality.

    PubMed

    Bovo, Barbara; Carlot, Milena; Fontana, Federico; Lombardi, Angiolella; Soligo, Stefano; Giacomini, Alessio; Corich, Viviana

    2015-04-01

    Nowadays grape marc represents one of the main by-product of winemaking. Many South Europe countries valorize this ligno-cellulosic waste through fermentation and distillation for industrial alcoholic beverage production. The storage of marcs is a crucial phase in the distillation process, due to the physicochemical transformations ascribed to microbial activity. Among the methods adopted by distillers to improve the quality of spirits, the use of selected yeasts has not been explored so far, therefore in this work we evaluated the selection criteria of Saccharomyces cerevisiae strains for grape marc fermentation. The proposed selection procedure included three steps: characterization of phenotypical traits, evaluation of selected strains on pasteurised grape marc at lab-scale (100 g) and pilot-scale fermentation (350 kg). This selection process was applied on 104 strains isolated from grape marcs of different origins and technological treatment. Among physiological traits, β-glucosidase activity level as quality trait seems to be only partially involved in increasing varietal flavour. More effective in describing yeast impact on distillate quality is the ratio higher alcohols/esters that indicates strain ability to increase positive flavours. Finally, evaluating grape marc as source of selected yeasts, industrial treatment rather than varietal origin seems to shape strain technological and quality traits. PMID:25475330

  12. Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine.

    PubMed

    Albareda, Guillermo; Bofill, Josep Maria; Tavernelli, Ivano; Huarte-Larrañaga, Fermin; Illas, Francesc; Rubio, Angel

    2015-05-01

    We report a new theoretical approach to solve adiabatic quantum molecular dynamics halfway between wave function and trajectory-based methods. The evolution of a N-body nuclear wave function moving on a 3N-dimensional Born-Oppenheimer potential-energy hyper-surface is rewritten in terms of single-nuclei wave functions evolving nonunitarily on a 3-dimensional potential-energy surface that depends parametrically on the configuration of an ensemble of generally defined trajectories. The scheme is exact and, together with the use of trajectory-based statistical techniques, can be exploited to circumvent the calculation and storage of many-body quantities (e.g., wave function and potential-energy surface) whose size scales exponentially with the number of nuclear degrees of freedom. As a proof of concept, we present numerical simulations of a 2-dimensional model porphine where switching from concerted to sequential double proton transfer (and back) is induced quantum mechanically. PMID:26263307

  13. Extended Lagrangian Born-Oppenheimer molecular dynamics simulations of the shock-induced chemistry of phenylacetylene

    SciTech Connect

    Cawkwell, M. J. Niklasson, Anders M. N.; Dattelbaum, Dana M.

    2015-02-14

    The initial chemical events that occur during the shock compression of liquid phenylacetylene have been investigated using self-consistent tight binding molecular dynamics simulations. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism enabled us to compute microcanonical trajectories with precise conservation of the total energy. Our simulations revealed that the first density-increasing step under shock compression arises from the polymerization of phenylacetylene molecules at the acetylene moiety. The application of electronic structure-based molecular dynamics with long-term conservation of the total energy enabled us to identify electronic signatures of reactivity via monitoring changes in the HOMO-LUMO gap, and to capture directly adiabatic shock heating, transient non-equilibrium states, and changes in temperature arising from exothermic chemistry in classical molecular dynamics trajectories.

  14. Complex explicitly correlated Gaussians for non-Born-Oppenheimer calculations of small molecules

    NASA Astrophysics Data System (ADS)

    Bubin, Sergiy; Adamowicz, Ludwik

    Non-Born-Oppenheimer calculations of molecular systems, where all particles are properly treated on an equal footing, represents a big challenge for the theory. Due to the huge difference in the masses of the electrons and nuclei the latter move more slowly and their correlation functions have distinct localization around the equilibrium internuclear separations. This feature is hard to implement in explicitly correlated variational approaches with Gaussian type basis functions while maintaining an analytic integrability of all necessary matrix elements. In this work we demonstrate that the difficulties can be overcome by using complex Gaussians. In our benchmark calculations on HD+ molecular ion we have achieved excellent performance of this simple complex basis set that is on par or better than what was seen in previous Non-BO calculations of small diatomic molecules. This work has been supported by the Ministry of Education and Science of Kazakhstan.

  15. Non-Born-Oppenheimer treatment of the H{sub 2} Hookean molecule

    SciTech Connect

    Ludena, Eduardo V.; Lopez, Xabier; Ugalde, Jesus M.

    2005-07-08

    We show that the exact non-Born-Oppenheimer Schroedinger equation for the Hookean diatomic molecule H{sub 2} (a two-proton, two-electron system where the electron-proton interaction is harmonic while the proton-proton and electron-electron interactions are Coulombic) can be decoupled into equations describing the relative motion of the electrons, the relative motion of nuclei, the motion of a collective mode representing a three-dimensional harmonic oscillator, and the motion of a free particle expressed as a linear combination of the individual center-of-mass coordinates of the nuclei and electrons. Analytic solutions to the relative motion of electrons can be readily obtained for the given values of the harmonic coupling constant. However, exact analytic solutions to the equation for the relative motion of the nuclei cannot be obtained simultaneously due to the fact that the harmonic constants in these two equations are coupled. For this reason, we present for the relative nuclear motion approximate analytic wave functions, one of them obtained variationally and the other by a series solution where the coefficients are determined recursively. We also explore a variational solution to the Taylor-series expansion of the nuclear interaction potential. Properties of the electronic and nuclear intracule densities are examined at different values of the coupling constant. An interesting result of the present non-Born-Oppenheimer treatment of this harmonic model is the fact that the relative nuclear motion occurs in a highly correlated regime. This leads in a natural way to a spatial localization of the nuclei akin to Wigner electronic crystallization.

  16. On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methods

    NASA Astrophysics Data System (ADS)

    Gherib, Rami; Ye, Liyuan; Ryabinkin, Ilya G.; Izmaylov, Artur F.

    2016-04-01

    The diagonal Born-Oppenheimer correction (DBOC) stems from the diagonal second derivative coupling term in the adiabatic representation, and it can have an arbitrary large magnitude when a gap between neighbouring Born-Oppenheimer (BO) potential energy surfaces (PESs) is closing. Nevertheless, DBOC is typically neglected in mixed quantum-classical methods of simulating nonadiabatic dynamics (e.g., fewest-switch surface hopping (FSSH) method). A straightforward addition of DBOC to BO PESs in the FSSH method, FSSH+D, has been shown to lead to numerically much inferior results for models containing conical intersections. More sophisticated variation of the DBOC inclusion, phase-space surface-hopping (PSSH) was more successful than FSSH+D but on model problems without conical intersections. This work comprehensively assesses the role of DBOC in nonadiabatic dynamics of two electronic state problems and the performance of FSSH, FSSH+D, and PSSH methods in variety of one- and two-dimensional models. Our results show that the inclusion of DBOC can enhance the accuracy of surface hopping simulations when two conditions are simultaneously satisfied: (1) nuclei have kinetic energy lower than DBOC and (2) PESs are not strongly nonadiabatically coupled. The inclusion of DBOC is detrimental in situations where its energy scale becomes very high or even diverges, because in these regions PESs are also very strongly coupled. In this case, the true quantum formalism heavily relies on an interplay between diagonal and off-diagonal nonadiabatic couplings while surface hopping approaches treat diagonal terms as PESs and off-diagonal ones stochastically.

  17. Non-Born-Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions

    NASA Astrophysics Data System (ADS)

    Yonehara, Takehiro; Takatsuka, Kazuo

    2010-06-01

    We extend our formerly proposed theory for non-Born-Oppenheimer electronic and nuclear wavepacket dynamics within on-the-fly scheme [T. Yonehara, S. Takahashi, and K. Takatsuka, J. Chem. Phys. 130, 214113 (2009)] to a case of nonadiabatic dynamics under an intense laser field: electron wavepacket in a molecule is propagated in attosecond time-scale along non-Born-Oppenheimer nuclear paths that smoothly branch due to nonadiabatic coupling and/or optical interactions. Such branching paths are determined consistently with the motion of the electron wavepackets. Furthermore, these nuclear paths are quantized in terms of Gaussian wavepackets (action decomposed function), which can be applied to nonclassical paths. Both electronic wavepacket dynamics and quantization of non-Born-Oppenheimer paths are generalized so as to include the direct effects of the classical vector potential of electromagnetic fields. In the second half of this paper, we perform numerical studies to explore nonadiabatic dynamics in a laser field by examining two cases: one is a two-state model system having an avoided crossing, and the other is two-state dynamics in HF molecule on the two low lying ab initio potential curves. Both are placed in laser fields. With the former system, we survey some basic properties of the coupling of nonadiabatic dynamics and laser interaction varying the relevant coupling parameters such as the laser timing with respect to the incident of nonadiabatic transition. This investigation will set a foundation for the future studies of control of electronic states in realistic multidimensional molecular systems. Application to the latter system shows that non-Born-Oppenheimer quantum chemistry in laser fields is indeed useful in the study of dynamics in ab initio level. Through the comparison with full quantum data, we verify that the formalism and methodology developed here work accurately. Furthermore, we attain some basic insight about the characteristics of molecules

  18. Potential-Energy Surfaces, the Born-Oppenheimer Approximations, and the Franck-Condon Principle: Back to the Roots.

    PubMed

    Mustroph, Heinz

    2016-09-01

    The concept of a potential-energy surface (PES) is central to our understanding of spectroscopy, photochemistry, and chemical kinetics. However, the terminology used in connection with the basic approximations is variously, and somewhat confusingly, represented with such phrases as "adiabatic", "Born-Oppenheimer", or "Born-Oppenheimer adiabatic" approximation. Concerning the closely relevant and important Franck-Condon principle (FCP), the IUPAC definition differentiates between a classical and quantum mechanical formulation. Consequently, in many publications we find terms such as "Franck-Condon (excited) state", or a vertical transition to the "Franck-Condon point" with the "Franck-Condon geometry" that relaxes to the excited-state equilibrium geometry. The Born-Oppenheimer approximation and the "classical" model of the Franck-Condon principle are typical examples of misused terms and lax interpretations of the original theories. In this essay, we revisit the original publications of pioneers of the PES concept and the FCP to help stimulate a lively discussion and clearer thinking around these important concepts.

  19. Modeling Neutron Star Stability with a Modified Tolman-Oppenheimer-Volkoff Equation

    NASA Astrophysics Data System (ADS)

    Chaykov, Spasen; O'Brien, James

    2016-03-01

    The Tolman-Oppenheimer-Volkoff (TOV) equation represents the solution to the Einstein field equations where the source of curvature is given by the stress-energy tensor of a perfect fluid. In flat space it has the form Tμν = (ρ + p) UμUν + pημν and the convention for curved space-time is to just replace the Minkowski metric with gμν. For our research we instead use a modified stress-energy tensor of the form Tμν = (ρ + p) UμUν + pgμν +πμν where the anisotropic πμν is a symmetric, traceless rank two tensor which obeys Uμπμν = 0 . The motivation is that such a term in the stress-energy tensor can account for effects due to the curvature of space-time and would not be present in the tensor describing flat space.The final revised TOV equation is of the form -r2p' = GMρ [ 1 +p/- 2 q ρ ] [ 1 +4/πr3 (p - 2 q) M ] [ 1 -2/GM r ] - 1 - 2r2q' - 6 rq where the primes indicate differentiation with respect to the radial coordinate and the q terms arise from the components of πμν. The equation was then solved numerically with both a polytropic and a MIT bag model equations of state. The result is a changed prediction for the stability range of neutron stars.

  20. Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics.

    PubMed

    Mniszewski, S M; Cawkwell, M J; Wall, M E; Mohd-Yusof, J; Bock, N; Germann, T C; Niklasson, A M N

    2015-10-13

    We present an algorithm for the calculation of the density matrix that for insulators scales linearly with system size and parallelizes efficiently on multicore, shared memory platforms with small and controllable numerical errors. The algorithm is based on an implementation of the second-order spectral projection (SP2) algorithm [ Niklasson, A. M. N. Phys. Rev. B 2002 , 66 , 155115 ] in sparse matrix algebra with the ELLPACK-R data format. We illustrate the performance of the algorithm within self-consistent tight binding theory by total energy calculations of gas phase poly(ethylene) molecules and periodic liquid water systems containing up to 15,000 atoms on up to 16 CPU cores. We consider algorithm-specific performance aspects, such as local vs nonlocal memory access and the degree of matrix sparsity. Comparisons to sparse matrix algebra implementations using off-the-shelf libraries on multicore CPUs, graphics processing units (GPUs), and the Intel many integrated core (MIC) architecture are also presented. The accuracy and stability of the algorithm are illustrated with long duration Born-Oppenheimer molecular dynamics simulations of 1000 water molecules and a 303 atom Trp cage protein solvated by 2682 water molecules.

  1. Does really Born Oppenheimer approximation break down in charge transfer processes? An exactly solvable model

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Alexander M.; Medvedev, Igor G.

    2006-05-01

    Effects of deviation from the Born-Oppenheimer approximation (BOA) on the non-adiabatic transition probability for the transfer of a quantum particle in condensed media are studied within an exactly solvable model. The particle and the medium are modeled by a set of harmonic oscillators. The dynamic interaction of the particle with a single local mode is treated explicitly without the use of BOA. Two particular situations (symmetric and non-symmetric systems) are considered. It is shown that the difference between the exact solution and the true BOA is negligibly small at realistic parameters of the model. However, the exact results differ considerably from those of the crude Condon approximation (CCA) which is usually considered in the literature as a reference point for BOA (Marcus-Hush-Dogonadze formula). It is shown that the exact rate constant can be smaller (symmetric system) or larger (non-symmetric one) than that obtained in CCA. The non-Condon effects are also studied.

  2. Quantifying the breakdown of the Born-Oppenheimer approximation in surface chemistry.

    PubMed

    Rahinov, Igor; Cooper, Russell; Matsiev, Daniel; Bartels, Christof; Auerbach, Daniel J; Wodtke, Alec M

    2011-07-28

    The Born-Oppenheimer Approximation (BOA) forms the basis for calculating electronically adiabatic potential energy surfaces, thus providing the framework for developing a molecular level understanding of a variety of important chemical problems. For surface chemistry at metal surfaces, it is now clear that for some processes electronically nonadiabatic effects can be important, even dominant; however, the magnitude of BOA breakdown may vary widely from one chemical system to another. In this paper we show that molecular-beam surface scattering experiments can be used to derive quantitative information about the magnitude of BOA breakdown. A state-to-state rate model is used to interpret the pre-exponential factor of the well-known Arrhenius surface temperature dependence of the electronically nonadiabatic vibrational excitation. We also show that reference to a "thermal limit" provides a quick and simple rule of thumb for quantifying BOA breakdown. We demonstrate this approach by comparing electronically nonadiabatic vibrational inelasticity for NO(ν = 0 → 1) to NO(ν = 15 →ν'≪ 15) and show that the electronically nonadiabatic coupling strengths are of a similar magnitude. We compare experiments for NO and HCl scattering from Au(111) and derive the quantitative relative magnitude for the electronically nonadiabatic influences in each system. The electronically nonadiabatic influences are 300-400 times larger for NO than for HCl, for incidence energies near 0.9 eV.

  3. On the existence of the optimal order for wavefunction extrapolation in Born-Oppenheimer molecular dynamics

    NASA Astrophysics Data System (ADS)

    Fang, Jun; Gao, Xingyu; Song, Haifeng; Wang, Han

    2016-06-01

    Wavefunction extrapolation greatly reduces the number of self-consistent field (SCF) iterations and thus the overall computational cost of Born-Oppenheimer molecular dynamics (BOMD) that is based on the Kohn-Sham density functional theory. Going against the intuition that the higher order of extrapolation possesses a better accuracy, we demonstrate, from both theoretical and numerical perspectives, that the extrapolation accuracy firstly increases and then decreases with respect to the order, and an optimal extrapolation order in terms of minimal number of SCF iterations always exists. We also prove that the optimal order tends to be larger when using larger MD time steps or more strict SCF convergence criteria. By example BOMD simulations of a solid copper system, we show that the optimal extrapolation order covers a broad range when varying the MD time step or the SCF convergence criterion. Therefore, we suggest the necessity for BOMD simulation packages to open the user interface and to provide more choices on the extrapolation order. Another factor that may influence the extrapolation accuracy is the alignment scheme that eliminates the discontinuity in the wavefunctions with respect to the atomic or cell variables. We prove the equivalence between the two existing schemes, thus the implementation of either of them does not lead to essential difference in the extrapolation accuracy.

  4. Tolman-Oppenheimer-Volkoff equations in the presence of the Chaplygin gas: Stars and wormholelike solutions

    SciTech Connect

    Gorini, V.; Moschella, U.; Kamenshchik, A. Yu.; Pasquier, V.; Starobinsky, A. A.

    2008-09-15

    We study static solutions of the Tolman-Oppenheimer-Volkoff equations for spherically symmetric objects (stars) living in a space filled with the Chaplygin gas. Two cases are considered. In the normal case, all solutions (excluding the de Sitter one) realize a three-dimensional spheroidal geometry because the radial coordinate achieves a maximal value (the 'equator'). After crossing the equator, three scenarios are possible: a closed spheroid having a Schwarzschild-type singularity with infinite blueshift at the 'south pole', a regular spheroid, and a truncated spheroid having a scalar curvature singularity at a finite value of the radial coordinate. The second case arises when the modulus of the pressure exceeds the energy density (the phantom Chaplygin gas). There is no more equator and all solutions have the geometry of a truncated spheroid with the same type of singularity. We also consider static spherically symmetric configurations existing in a universe filled with only the phantom Chaplygin gas. In this case, two classes of solutions exist: truncated spheroids and solutions of the wormhole type with a throat. However, the latter are not asymptotically flat and possess curvature singularities at finite values of the radial coordinate. Thus, they may not be used as models of observable compact astrophysical objects.

  5. Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics.

    PubMed

    Mniszewski, S M; Cawkwell, M J; Wall, M E; Mohd-Yusof, J; Bock, N; Germann, T C; Niklasson, A M N

    2015-10-13

    We present an algorithm for the calculation of the density matrix that for insulators scales linearly with system size and parallelizes efficiently on multicore, shared memory platforms with small and controllable numerical errors. The algorithm is based on an implementation of the second-order spectral projection (SP2) algorithm [ Niklasson, A. M. N. Phys. Rev. B 2002 , 66 , 155115 ] in sparse matrix algebra with the ELLPACK-R data format. We illustrate the performance of the algorithm within self-consistent tight binding theory by total energy calculations of gas phase poly(ethylene) molecules and periodic liquid water systems containing up to 15,000 atoms on up to 16 CPU cores. We consider algorithm-specific performance aspects, such as local vs nonlocal memory access and the degree of matrix sparsity. Comparisons to sparse matrix algebra implementations using off-the-shelf libraries on multicore CPUs, graphics processing units (GPUs), and the Intel many integrated core (MIC) architecture are also presented. The accuracy and stability of the algorithm are illustrated with long duration Born-Oppenheimer molecular dynamics simulations of 1000 water molecules and a 303 atom Trp cage protein solvated by 2682 water molecules. PMID:26574255

  6. Coherent states, quantum gravity, and the Born- Oppenheimer approximation. II. Compact Lie groups

    NASA Astrophysics Data System (ADS)

    Stottmeister, Alexander; Thiemann, Thomas

    2016-07-01

    In this article, the second of three, we discuss and develop the basis of a Weyl quantisation for compact Lie groups aiming at loop quantum gravity-type models. This Weyl quantisation may serve as the main mathematical tool to implement the program of space adiabatic perturbation theory in such models. As we already argued in our first article, space adiabatic perturbation theory offers an ideal framework to overcome the obstacles that hinder the direct implementation of the conventional Born-Oppenheimer approach in the canonical formulation of loop quantum gravity. Additionally, we conjecture the existence of a new form of the Segal-Bargmann-Hall "coherent state" transform for compact Lie groups G, which we prove for G = U(1)n and support by numerical evidence for G = SU(2). The reason for conjoining this conjecture with the main topic of this article originates in the observation that the coherent state transform can be used as a basic building block of a coherent state quantisation (Berezin quantisation) for compact Lie groups G. But, as Weyl and Berezin quantisation for ℝ2d are intimately related by heat kernel evolution, it is natural to ask whether a similar connection exists for compact Lie groups as well. Moreover, since the formulation of space adiabatic perturbation theory requires a (deformation) quantisation as minimal input, we analyse the question to what extent the coherent state quantisation, defined by the Segal-Bargmann-Hall transform, can serve as basis of the former.

  7. Density functional theory: Non-Born-Oppenheimer Legendre transforms and Maxwell relations, equilibrium and stability conditions

    NASA Astrophysics Data System (ADS)

    Nalewajski, Roman F.; Capitani, Joseph F.

    1982-09-01

    The Legendre-transformed representations of the non-Born-Oppenheimer (NBO) density functional theory are analyzed and the corresponding Maxwell relations are derived. These relations exhibit various couplings between parameters of the NBO ground-state energy hypersurfaces: ɛ[{Ni, Zi, Mi}] and ɛφ[{Ni, Zi, Mi},φ], where Ni, Zi, and Mi denote, respectively, the number of particles i, their charge and mass, while φ stands for an external electric field. The criteria for intrinsic equilibrium and stability of molecular systems are formulated and discussed within both the BO and NBO approximations. The physical content of stability criteria is interpreted in terms of the Le Châtelier and the Le Châtelier-Braun principles. The classical nature of these criteria is revealed through the introduction of internal partial scalar pressures of the system components (groups of identical particles) within the local formulation of the theory. It is then shown that the criteria of equilibrium and stability in isolated molecular systems become the classical criteria of the ''mechanical''-electrostatic equilibrium and stability.

  8. Long-range asymptotic expansion of the diagonal Born-Oppenheimer correction

    NASA Astrophysics Data System (ADS)

    Przybytek, Michał; Jeziorski, Bogumił

    2012-06-01

    Formulas for the coefficients A6, A8, and A10 determining the long-range asymptotic behavior Ead(R)˜-A6R-6-A8R-8-A10R-10 of the diagonal Born-Oppenheimer (adiabatic) correction Ead(R) to the potential energy of a diatomic molecule are derived using two standard definitions of Ead(R). The first one is based on the explicit separation of the center-of-mass and rotational coordinates from the total Hamiltonian of a system, while the second definition uses the Born-Handy expression in a laboratory system of coordinates. Expressions for the asymptotic coefficients resulting from both definitions are proved to be equivalent. The obtained formulas are used to compute the asymptotics of the adiabatic correction for the ground state of the hydrogen molecule and for the helium dimer in the lowest quintet and singlet states. In the latter case basis sets up to 8-tuple zeta quality were used to adequately account for the electron correlation effects.

  9. Computation of the electronic flux density in the Born-Oppenheimer approximation.

    PubMed

    Diestler, D J; Kenfack, A; Manz, J; Paulus, B; Pérez-Torres, J F; Pohl, V

    2013-09-12

    A molecule in the electronic ground state described in the Born–Oppenheimer approximation (BOA) by the wave function ΨBO = Φ0χ0 (where Φ0 is the time-independent electronic energy eigenfunction and χ0 is a time-dependent nuclear wave packet) exhibits a nonzero nuclear flux density, whereas it always displays zero electronic flux density (EFD), because the electrons are in a stationary state. A hierarchical approach to the computation of the EFD within the context of the BOA, which utilizes only standard techniques of quantum chemistry (to obtain Φ0) and quantum dynamics (to describe the evolution of χ0 on the ground-state potential energy surface), provides a resolution of this puzzling, nonintuitive result. The procedure is applied to H2(+) oriented parallel with the z-axis and vibrating in the ground state (2)Σg(+). First, Φ0 and χ0 are combined by the coupled-channels technique to give the normally dominant z-component of the EFD. Imposition of the constraints of electronic continuity, cylindrical symmetry of Φ0 and two boundary conditions on the EFD through a scaling procedure yields an improved z-component, which is then used to compute the complementary orthogonal ρ-component. The resulting EFD agrees with its highly accurate counterpart furnished by a non-BOA treatment of the system.

  10. Molecular relativistic corrections determined in the framework where the Born-Oppenheimer approximation is not assumed.

    PubMed

    Stanke, Monika; Adamowicz, Ludwik

    2013-10-01

    In this work, we describe how the energies obtained in molecular calculations performed without assuming the Born-Oppenheimer (BO) approximation can be augmented with corrections accounting for the leading relativistic effects. Unlike the conventional BO approach, where these effects only concern the relativistic interactions between the electrons, the non-BO approach also accounts for the relativistic effects due to the nuclei and due to the coupling of the coupled electron-nucleus motion. In the numerical sections, the results obtained with the two approaches are compared. The first comparison concerns the dissociation energies of the two-electron isotopologues of the H2 molecule, H2, HD, D2, T2, and the HeH(+) ion. The comparison shows that, as expected, the differences in the relativistic contributions obtained with the two approaches increase as the nuclei become lighter. The second comparison concerns the relativistic corrections to all 23 pure vibrational states of the HD(+) ion. An interesting charge asymmetry caused by the nonadiabatic electron-nucleus interaction appears in this system, and this effect significantly increases with the vibration excitation. The comparison of the non-BO results with the results obtained with the conventional BO approach, which in the lowest order does not describe the charge-asymmetry effect, reveals how this effect affects the values of the relativistic corrections. PMID:23679131

  11. Born-Oppenheimer Ab Initio QM/MM Molecular Dynamics Simulations of Enzyme Reactions.

    PubMed

    Zhou, Y; Wang, S; Li, Y; Zhang, Y

    2016-01-01

    There are two key requirements for reliably simulating enzyme reactions: one is a reasonably accurate potential energy surface to describe the bond-forming/breaking process as well as to adequately model the heterogeneous enzyme environment; the other is to perform extensive sampling since an enzyme system consists of at least thousands of atoms and its energy landscape is very complex. One attractive approach to meet both daunting tasks is Born-Oppenheimer ab initio QM/MM molecular dynamics (aiQM/MM-MD) simulation with umbrella sampling. In this chapter, we describe our recently developed pseudobond Q-Chem-Amber interface, which employs a combined electrostatic-mechanical embedding scheme with periodic boundary condition and the particle mesh Ewald method for long-range electrostatics interactions. In our implementation, Q-Chem and the sander module of Amber are combined at the source code level without using system calls, and all necessary data communications between QM and MM calculations are achieved via computer memory. We demonstrate the applicability of this pseudobond Q-Chem-Amber interface by presenting two examples, one reaction in aqueous solution and one enzyme reaction. Finally, we describe our established aiQM/MM-MD enzyme simulation protocol, which has been successfully applied to study more than a dozen enzymes. PMID:27498636

  12. On the existence of the optimal order for wavefunction extrapolation in Born-Oppenheimer molecular dynamics.

    PubMed

    Fang, Jun; Gao, Xingyu; Song, Haifeng; Wang, Han

    2016-06-28

    Wavefunction extrapolation greatly reduces the number of self-consistent field (SCF) iterations and thus the overall computational cost of Born-Oppenheimer molecular dynamics (BOMD) that is based on the Kohn-Sham density functional theory. Going against the intuition that the higher order of extrapolation possesses a better accuracy, we demonstrate, from both theoretical and numerical perspectives, that the extrapolation accuracy firstly increases and then decreases with respect to the order, and an optimal extrapolation order in terms of minimal number of SCF iterations always exists. We also prove that the optimal order tends to be larger when using larger MD time steps or more strict SCF convergence criteria. By example BOMD simulations of a solid copper system, we show that the optimal extrapolation order covers a broad range when varying the MD time step or the SCF convergence criterion. Therefore, we suggest the necessity for BOMD simulation packages to open the user interface and to provide more choices on the extrapolation order. Another factor that may influence the extrapolation accuracy is the alignment scheme that eliminates the discontinuity in the wavefunctions with respect to the atomic or cell variables. We prove the equivalence between the two existing schemes, thus the implementation of either of them does not lead to essential difference in the extrapolation accuracy. PMID:27369493

  13. First order perturbations of the Einstein-Straus and Oppenheimer-Snyder models

    NASA Astrophysics Data System (ADS)

    Mars, Marc; Mena, Filipe C.; Vera, Raül

    2008-10-01

    We derive the linearly perturbed matching conditions between a Schwarzschild spacetime region with stationary and axially symmetric perturbations and a Friedmann-Lemaître-Robertson-Walker (FLRW) spacetime with arbitrary perturbations. The matching hypersurface is also perturbed arbitrarily and, in all cases, the perturbations are decomposed into scalars using the Hodge operator on the sphere. This allows us to write down the matching conditions in a compact way. In particular, we find that the existence of a perturbed (rotating, stationary, and vacuum) Schwarzschild cavity in a perturbed FLRW universe forces the cosmological perturbations to satisfy constraints that link rotational and gravitational wave perturbations. We also prove that if the perturbation on the FLRW side vanishes identically, then the vacuole must be perturbatively static and hence Schwarzschild. By the dual nature of the problem, the first result translates into links between rotational and gravitational wave perturbations on a perturbed Oppenheimer-Snyder model, where the perturbed FLRW dust collapses in a perturbed Schwarzschild environment which rotates in equilibrium. The second result implies, in particular, that no region described by FLRW can be a source of the Kerr metric.

  14. First order perturbations of the Einstein-Straus and Oppenheimer-Snyder models

    SciTech Connect

    Mars, Marc; Mena, Filipe C.; Vera, Rauel

    2008-10-15

    We derive the linearly perturbed matching conditions between a Schwarzschild spacetime region with stationary and axially symmetric perturbations and a Friedmann-Lemaitre-Robertson-Walker (FLRW) spacetime with arbitrary perturbations. The matching hypersurface is also perturbed arbitrarily and, in all cases, the perturbations are decomposed into scalars using the Hodge operator on the sphere. This allows us to write down the matching conditions in a compact way. In particular, we find that the existence of a perturbed (rotating, stationary, and vacuum) Schwarzschild cavity in a perturbed FLRW universe forces the cosmological perturbations to satisfy constraints that link rotational and gravitational wave perturbations. We also prove that if the perturbation on the FLRW side vanishes identically, then the vacuole must be perturbatively static and hence Schwarzschild. By the dual nature of the problem, the first result translates into links between rotational and gravitational wave perturbations on a perturbed Oppenheimer-Snyder model, where the perturbed FLRW dust collapses in a perturbed Schwarzschild environment which rotates in equilibrium. The second result implies, in particular, that no region described by FLRW can be a source of the Kerr metric.

  15. Berry phase and Hannay’s angle in the Born–Oppenheimer hybrid systems

    SciTech Connect

    Liu, H.D.; Yi, X.X.; Fu, L.B.

    2013-12-15

    In this paper, we investigate the Berry phase and Hannay’s angle in the Born–Oppenheimer (BO) hybrid systems and obtain their algebraic expressions in terms of one form connection. The semiclassical relation of Berry phase and Hannay’s angle is discussed. We find that, besides the usual connection term, the Berry phase of quantum BO composite system also contains a novel term brought forth by the coupling induced effective gauge potential. This quantum modification can be viewed as an effective Aharonov–Bohm effect. Moreover, the similar phenomenon is founded in Hannay’s angle of classical BO composite system, which indicates that the Berry phase and Hannay’s angle possess the same relation as the usual one. An example is used to illustrate our theory. This scheme can be used to generate artificial gauge potentials for neutral atoms. Besides, the quantum–classical hybrid BO system is also studied to compare with the results in full quantum and full classical composite systems. -- Highlights: •We have derived the Berry phase and Hannay’s angle in BO hybrid systems. •The Berry phase contains a novel term brought by the effective gauge potential. •This mechanism can be used to generate artificial gauge potentials for neutral atoms. •The relation between Hannay’s angles and Berry phases is established.

  16. mARC Treatment of Hypopharynx Carcinoma with Flat and Flattening-Filter-Free Beam Energies – A Planning Study

    PubMed Central

    Bell, Katharina; Fleckenstein, Jochen; Nuesken, Frank; Licht, Norbert; Rübe, Christian; Dzierma, Yvonne

    2016-01-01

    Background The recently implemented mARC-rotation-technique is capable to deliver high dose rate bursts. For the case of hypopharynx cancer plans we evaluate whether the mARC can achieve an advantage in treatment time in comparison to IMRT. These plans consider two arcs with flat and flattening filter free (FFF) beam energies. Materials and Methods For 8 hypopharynx-cancer patients step-and-shoot-IMRT and mARC plans were created retrospectively using flat and FFF beam energy. The comparison of the plan scenarios considered measures of quality for PTV coverage and sparing of organs at risk. All plans were irradiated on an anthromorphic phantom equipped with thermoluminescent dosimeters to measure scattered dose and treatment times. Results A visual comparison of the dose distribution did not show a marked preference for either technique or energy. The statistical evaluation yielded significant differences in favor of the mARC technique and the FFF energy. Scattered dose could be decreased markedly by the use of the mARC technique. Treatment times could be reduced up to 3 minutes with the use of mARC in comparison to IMRT. The high dose rate energy results in another time advantage of about 1 minute. Conclusions All four plan scenarios yielded equally good quality plans. A combination of the mARC technique with FFF 7 MV high dose rate resulted in a decrease of treatment times from about 9 minutes to 5–6 minutes in comparison to 6 MV IMRT. PMID:27741272

  17. F-MARC: promoting the prevention and management of sudden cardiac arrest in football.

    PubMed

    Kramer, Efraim Benjamin; Dvorak, J; Schmied, C; Meyer, T

    2015-05-01

    Sudden cardiac death is the most common cause of unnatural death in football. To prevent and urgently manage sudden cardiac arrest on the football field-of-play, F-MARC (FIFA Medical and Research Centre) has been fully committed to a programme of research, education, standardisation and practical implementation. This strategy has detected football players at medical risk during mandatory precompetition medical assessments. Additionally, FIFA has (1) sponsored internationally accepted guidelines for the interpretation of an athlete's ECG, (2) developed field-of-play-specific protocols for the recognition, response, resuscitation and removal of a football player having sudden cardiac arrest and (3) introduced and distributed the FIFA medical emergency bag which has already resulted in the successful resuscitation of a football player who had a sudden cardiac arrest on the field-of-play. Recently FIFA, in association with the Institute of Sports and Preventive Medicine in Saarbrücken, Germany, established a worldwide Sudden Death Registry with a view to documenting fatal events on the football field-of-play. These activities by F-MARC are testimony to FIFA's continued commitment to minimising sudden cardiac arrest while playing football.

  18. Treatise on insanity in pregnant, postpartum, and lactating women (1858) by Louis-Victor Marcé: a commentary.

    PubMed

    Trede, Katharina; Baldessarini, Ross J; Viguera, Adele C; Bottero, Alain

    2009-01-01

    Louis-Victor Marcé, MD, of Paris compiled an extensive monograph published in 1858 that surveyed knowledge of psychiatric disorders of women during and following pregnancy. This work has largely been ignored for 150 years. We summarize here what is known about Marcé's life and work, and include selected passages from his monograph. Marcé provides extensive clinical descriptions of syndromes, with 79 case examples, and summarizes etiological theories and treatments characteristic of his era and place. This work was based on cases that he personally evaluated and on other reported cases, all drawn from broad social and economic backgrounds. Marcé shows an appreciation of epidemiological evidence and a critical approach to then conventional pathophysiological and therapeutic views. His work anticipated modern rediscovery of the high risk of depression in pregnancy and of both acute mood disorders and psychoses, postpartum. This comprehensive summary of clinical knowledge of perinatal psychiatric disorders of women is a landmark early contribution to a field that has only recently emerged as a psychiatric subspecialty.

  19. SeaMARC 2 side-scan images of submarine volcanoes: Potential analogues for Venus

    NASA Technical Reports Server (NTRS)

    Fryer, P.; Hussong, D.; Mouginis-Mark, P. J.

    1984-01-01

    The Earth's surface beneath the oceans may be very similar, in terms of ambient pressures, to the surface of Venus. For that reason it is particularly important for geologists studying the surface of Venus to understand the processes which form features on the floors of the oceans. With the SeaMARC 2 seafloor mapping system, it is possible to view a swath of seafloor that is 10 km wide (about 6.2 mi). Side scan images of the Mariana region show that volcanoes of the island arc are more complicated than previously realized and that features of the fore-arc region, which resemble volcanoes morphologically, may result from processes other than volcanism. By comparing data obtained from the ocean floor with radar images of Venus, the geological evolution of that planet may be more fully understood.

  20. NMR metabolic fingerprinting and chemometrics driven authentication of Greek grape marc spirits.

    PubMed

    Fotakis, Charalambos; Zervou, Maria

    2016-04-01

    NMR metabolomics was used to investigate 57 Greek spirits of four indigenous and four international varieties from Macedonia (tsipouro) and Crete (tsikoudia) to establish their authenticity. The metabolic profile of Romeiko, Malvasia, Xinomavro, Sangiovese and Nebbiolo varieties was assessed for the first time. The WET1D sequence was used to improve sensitivity and unveil minor metabolites. PCA was applied to delineate the provenance of samples and associate metabolites with distinct varietal characteristics, such as the acidity of Sangiovese, the overripe grapes harvesting of Romeiko, the intense body of Cabernet Sauvignon, the light body of Xinomavro and the glutamic acid for Malvasia. The migration of Cabernet Sauvignon from north Greece to Crete was framed. Monitoring multi-varietal spirits introduced 2-vinylethanol as a marker for yeast selection. OPLS-DA was applied to samples from the same vineyard, thus highlighting genotypic markers. Consequently, the findings address the concepts of typicity and traceability in grape marc spirits. PMID:26593552

  1. Improved retention of imidacloprid (Confidor) in soils by adding vermicompost from spent grape marc.

    PubMed

    Fernández-Bayo, Jesús D; Nogales, Rogelio; Romero, Esperanza

    2007-05-25

    Batch sorption experiments of the insecticide imidacloprid by ten widely different Spanish soils were carried out. The sorption was studied for the active ingredient and its registered formulation Confidor. The temperature effect was studied at 15 degrees C and 25 degrees C. The addition of a vermicompost from spent grape marc (natural and ground), containing 344 g kg(-1) organic carbon, on the sorption of imidacloprid by two selected soils, a sandy loam and a silty clay loam, having organic carbon content of 3.6 g kg(-1) and 9.3 g kg(-1), respectively, was evaluated. Prior to the addition of this vermicompost, desorption isotherms with both selected soils, were also performed. The apparent hysteresis index (AHI) parameter was used to quantify sorption-desorption hysteresis. Sorption coefficients, K(d) and K(f), for the active ingredient and Confidor(R) in the different soils were similar. Sorption decreased with increasing temperature, this fact has special interest in greenhouse systems. A significant correlation (R(2)=0.965; P<0.01) between K(f) values and the organic carbon (OC) content was found, but some soils showed higher sorption coefficients than that expected from their OC values. The normalized sorption coefficients with the soil organic carbon content (K(oc)) were dispersed and low, implying that other characteristics of soils could contribute to the retention capacity as well. The spent grape marc vermicompost was an effective sorbent of this insecticide (K(f)=149). The sorption of imidacloprid increased significantly in soils amended with this vermicompost. The most pronounced effect was found in the sandy loam soil with low OC content, where the addition of 5% and 10% of vermicompost increased K(f) values by 8- and 15-fold, respectively. Soil desorption of imidacloprid was slower for the soil with the higher OC and clay content.

  2. The Tolman-Oppenheimer Equations and the Spacetime Properties of the Schwarzschild-De Sitter Constant Density Interior Solution

    NASA Astrophysics Data System (ADS)

    Zou, Li; Li, Fang-Yu; Li, Tao

    2014-11-01

    In this paper, we first deduce the Tolman-Oppenheimer-Volkoff (TOV) equations and Schwarzschild-de Sitter (SdS) constant-density interior solutions of perfect fluid spheres in hydrostatic equilibrium by the Einstein equations with a nonzero cosmological constant. The TOV equations and the spacetime properties of exact solutions inside uniform perfect fluid spheres with different spatial curvature and cosmological constants will be respectively analyzed in detail. Moreover, a brief comparison between the internal static solutions of the SdS type and the dynamical Einstein-Strauss-de Sitter (ESdS) vacuole spacetime is obtained.

  3. The Mass of the Oppenheimer-Snyder Hole: Only Finite Mass Quasi-Black Holes

    NASA Astrophysics Data System (ADS)

    Mitra, Abhas; Singh, K. K.

    2013-07-01

    Oppenheimer and Snyder (OS) in their paper apparently showed the formation of an event horizon [see Eq. (37) in Phys. Rev.56 (1939) 455] for a collapsing homogeneous dust ball of mass M as the circumference radius of the outermost surface, rb → r0 = 2GM/c2 in a proper time $τ 0 ∝ r0-1/2 in the limit of large Schwarzschild time t → ∞. But Eq. (37) was approximated from Eq. (36) whose essential character is (t\\sim r_0 \\ln{\\sqrt y+1\\over \\sqrt y-1}$) where, at the boundary of the star y = rb/r0 = rbc2/2GM. And since the argument of a logarithmic function cannot be negative, one must have y ≥ 1 or 2GM/rbc2 ≤ 1. This shows that, at least, in this case (i) trapped surfaces are not formed, (ii) if the collapse indeed proceeds upto r = 0, we must have M = 0, and (iii) proper time taken for collapse τ → ∞. Thus, the gravitational mass of OS-black holes (OS-BHs), is unique and equal to zero. In fact, by invoking Birkhoff's theorem, it has been found that the OS collapse is only a fictitious mathematical artifact because it corresponds to a matter density ρ = 0 [Mitra, Astrophys. Space Sci.332 (2011) 43, arXiv:1101.0601]. Further, this is also in agreement with the proof that Schwarzschild BHs have the unique gravitational mass M = 0 [Mitra, J. Math. Phys.50 (2009), arXiv:0904.4754], and they represent asymptotic final state of physical collapse for which entire mass-energy is radiated out [Mitra and Glendenning, Mon. Not. R. Astron. Soc. Lett.404 (2010) L50, arXiv:1003.3518]. Finally this is in agreement with the conclusion that "the discussion of physical behavior of black holes, classical or quantum, is only of academic interest — we wonder whether nature allows gravitational collapse to continue inside the EH at all" [Narlikar and Padmanabhan, Found. Phys.18 (1989) 659, doi:10.1007/BF00734568].

  4. Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy.

    PubMed

    McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S; Reimers, Jeffrey R

    2015-10-14

    Entanglement is sometimes regarded as the quintessential measure of the quantum nature of a system and its significance for the understanding of coupled electronic and vibrational motions in molecules has been conjectured. Previously, we considered the entanglement developed in a spatially localized diabatic basis representation of the electronic states, considering design rules for qubits in a low-temperature chemical quantum computer. We extend this to consider the entanglement developed during high-energy processes. We also consider the entanglement developed using adiabatic electronic basis, providing a novel way for interpreting effects of the breakdown of the Born-Oppenheimer (BO) approximation. We consider: (i) BO entanglement in the ground-state wavefunction relevant to equilibrium thermodynamics, (ii) BO entanglement associated with low-energy wavefunctions relevant to infrared and tunneling spectroscopies, (iii) BO entanglement in high-energy eigenfunctions relevant to chemical reaction processes, and (iv) BO entanglement developed during reactive wavepacket dynamics. A two-state single-mode diabatic model descriptive of a wide range of chemical phenomena is used for this purpose. The entanglement developed by BO breakdown correlates simply with the diameter of the cusp introduced by the BO approximation, and a hierarchy appears between the various BO-breakdown correction terms, with the first-derivative correction being more important than the second-derivative correction which is more important than the diagonal correction. This simplicity is in contrast to the complexity of BO-breakdown effects on thermodynamic, spectroscopic, and kinetic properties. Further, processes poorly treated at the BO level that appear adequately treated using the Born-Huang adiabatic approximation are found to have properties that can only be described using a non-adiabatic description. For the entanglement developed between diabatic electronic states and the nuclear motion

  5. Exact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses

    SciTech Connect

    Lopez, Xabier; Ugalde, Jesus M.; Echevarria, Lorenzo; Ludena, Eduardo V.

    2006-10-15

    A Hookean model of a three-body problem for particles with arbitrary masses and charges where two of them interact with each other through a Coulomb potential and with the third through a harmonic potential is presented. It is shown that a condition relating the masses to the harmonic coupling constants must be satisfied in order to render this problem separable. A general exact analytic solution written in terms of the relative interparticle coordinates is given as well as general expressions for the total and binding energies of this three-body system. We apply these results to examine electronic, muonic, antiprotonic, and pionic families of non-Born-Oppenheimer Hookean systems. The first contains the atoms or atomic ions: Ps{sup -}(e{sup +}e{sup -}e{sup -}), H{sup -}(p{sup +}e{sup -}e{sup -}), D{sup -}(d{sup +}e{sup -}e{sup -}), T{sup -}(p{sup +}e{sup -}e{sup -}), {sup 4}He(he{sup +2}e{sup -}e{sup -}), and the following molecular ions: Ps{sub 2}{sup +}(e{sup -}e{sup +}e{sup +}), H{sub 2}{sup +}(e{sup -}p{sup +}p{sup +}), HD{sup +}(e{sup -}d{sup +}p{sup +}), HT{sup +}(e{sup -}t{sup +}p{sup +}), DT{sup +}(e{sup -}d{sup +}t{sup +}), D{sub 2}{sup +}(e{sup -}d{sup +}d{sup +}), T{sub 2}{sup +}(e{sup -}t{sup +}t{sup +}). The muonic and antiprotonic families are similar to the electronic ones except that the species are formed replacing e{sup -} by {mu}{sup -} or p{sup -}. The pionic family comprises exotic atoms containing at least one pion. We also apply these results to two-electron three-dimensional spherical quantum dots and for these systems we examine the effect of electronic correlation, particularly on the singlet-triplet transitions and on the collective motion of the electrons and center of mass leading to ''floppy''dynamics.

  6. Evaluation of direct phloroglucinolysis and colorimetric depolymerization assays and their applicability for determining condensed tannins in grape marc.

    PubMed

    Hixson, Josh L; Bindon, Keren A; Smith, Paul A

    2015-11-18

    To determine the optimum methods for determining condensed tannin (CT) content in grape marc, butanol-hydrochloric acid assays and phloroglucinolysis were adapted for use, applied to a range of grape marc types, and the methods compared. Porter's assay (butanol-HCl) was found to give unreliable results due to nonlinear color responses to grape skin and seed tannin concentrations, whereas the modification to include acetone (Grabber's assay) overcame this. Differences between skin and seed tannin responses highlighted the need to adequately select the correct grape tannin standard, and the formation of pH-dependent color was accounted for through acidification of blank samples. For phloroglucinolysis, the inability to remove highly bound tannins from cell wall material was highlighted, although a measure of tannins remaining post-phloroglucinolysis (Grabber's assay) showed a trend with the level of exposure to oxidative storage or processing conditions. The comparison of CT concentrations from phloroglucinolysis and Grabber's assay gave poor correlation coefficients.

  7. Evaluation of direct phloroglucinolysis and colorimetric depolymerization assays and their applicability for determining condensed tannins in grape marc.

    PubMed

    Hixson, Josh L; Bindon, Keren A; Smith, Paul A

    2015-11-18

    To determine the optimum methods for determining condensed tannin (CT) content in grape marc, butanol-hydrochloric acid assays and phloroglucinolysis were adapted for use, applied to a range of grape marc types, and the methods compared. Porter's assay (butanol-HCl) was found to give unreliable results due to nonlinear color responses to grape skin and seed tannin concentrations, whereas the modification to include acetone (Grabber's assay) overcame this. Differences between skin and seed tannin responses highlighted the need to adequately select the correct grape tannin standard, and the formation of pH-dependent color was accounted for through acidification of blank samples. For phloroglucinolysis, the inability to remove highly bound tannins from cell wall material was highlighted, although a measure of tannins remaining post-phloroglucinolysis (Grabber's assay) showed a trend with the level of exposure to oxidative storage or processing conditions. The comparison of CT concentrations from phloroglucinolysis and Grabber's assay gave poor correlation coefficients. PMID:26551987

  8. Kinetic modeling of ultrasound-assisted extraction of phenolic compounds from grape marc: influence of acoustic energy density and temperature.

    PubMed

    Tao, Yang; Zhang, Zhihang; Sun, Da-Wen

    2014-07-01

    The effects of acoustic energy density (6.8-47.4 W/L) and temperature (20-50 °C) on the extraction yields of total phenolics and tartaric esters during ultrasound-assisted extraction from grape marc were investigated in this study. The ultrasound treatment was performed in a 25-kHz ultrasound bath system and the 50% aqueous ethanol was used as the solvent. The initial extraction rate and final extraction yield increased with the increase of acoustic energy density and temperature. The two site kinetic model was used to simulate the kinetics of extraction process and the diffusion model based on the Fick's second law was employed to determine the effective diffusion coefficient of phenolics in grape marc. Both models gave satisfactory quality of data fit. The diffusion process was divided into one fast stage and one slow stage and the diffusion coefficients in both stages were calculated. Within the current experimental range, the diffusion coefficients of total phenolics and tartaric esters for both diffusion stages increased with acoustic energy density. Meanwhile, the rise of temperature also resulted in the increase of diffusion coefficients of phenolics except the diffusion coefficient of total phenolics in the fast stage, the value of which being the highest at 40 °C. Moreover, an empirical equation was suggested to correlate the effective diffusion coefficient of phenolics in grape marc with acoustic energy density and temperature. In addition, the performance comparison of ultrasound-assisted extraction and convention methods demonstrates that ultrasound is an effective and promising technology to extract bioactive substances from grape marc.

  9. Survey of the Variation in Grape Marc Condensed Tannin Composition and Concentration and Analysis of Key Compositional Factors.

    PubMed

    Hixson, Josh L; Jacobs, Joe L; Wilkes, Eric N; Smith, Paul A

    2016-09-28

    Grape marc contains a number of compounds with potential antimethanogenic activity in ruminants, including condensed tannins (CTs). Using direct phloroglucinolysis, a survey of CT chemistry across 66 grape marc samples showed diversity in concentration (6.9 to 138.8 g/kg of dry matter). Concentration was found to be independent of CT composition, although all compositional variables were significantly correlated (P < 0.0001). Twenty samples diverse in CT were selected from a cluster analysis and analyzed for compounds relevant to ruminant digestion and methanogenesis, including metabolizable energy (6.6-12.0 MJ/kg DM), crude protein (3.2-14.4% DM), neutral detergent fiber (18.4-61.4% DM), and ethanol soluble carbohydrates (2.0-40.6% DM). Fatty acid concentrations varied throughout the 20 samples (5.2-184.5 g/kg DM), although fatty acid profile showed two distinct groups. Grape marc varies widely in nutritional value, and in compounds that have been linked with changes in ruminant digestion and methane emissions. PMID:27615673

  10. When is an odd number not odd? Influence of task rule on the MARC effect for numeric classification.

    PubMed

    Cho, Yang Seok; Proctor, Robert W

    2007-09-01

    When classifying numbers as odd or even with left-right keypresses, performance is better with the mapping even-right/odd-left than with the opposite mapping. This linguistic markedness association of response codes (MARC) effect has been attributed to compatibility between the linguistic markedness of stimulus and response codes. In 2 experiments participants made keypresses to the Arabic numerals or number words 3, 4, 8, and 9 using the odd-even parity rule or a multiple-of-3 rule, which yield the same keypress response for each stimulus. For both stimulus modes, the MARC effect was obtained with the odd-even rule, but tended to reverse with the multiple-of-3 rule. The reversal was complete for the right response, but task rule had little influence on the left response. The results are consistent with the view that the MARC effect and its reversal are caused by correspondence of the stimulus code designated as positive by the task rule with the positive-polarity right response code.

  11. Improving green waste composting by addition of sugarcane bagasse and exhausted grape marc.

    PubMed

    Zhang, Lu; Sun, Xiangyang

    2016-10-01

    The composting of lignocellulosic waste into compost is a potential way of sustainably disposing of a waste while generating a useful product. The current study determined whether the addition of sugarcane bagasse (SCB) (at 0, 15, and 25%) and/or exhausted grape marc (EGM) (at 0, 10, and 20%) improved the two-stage composting of green waste (GW). The combined addition of SCB and EGM improved composting conditions and the quality of the compost product in terms of temperature, water-holding capacity, particle-size distribution, coarseness index, pH, electrical conductivity, water-extractable organic carbon and nitrogen, microbial numbers, enzymatic activities, polysaccharide and lignin content, nutrient content, respiration, and phytotoxicity. The optimal two-stage composting and the best quality compost were obtained with the combined addition of 15% SCB and 20% EGM. With the optimized two-stage composting method, the compost matured in only 21days rather than in the 90-270days required for traditional composting. PMID:27376832

  12. A Staged Reading of the Play: TRANSCENDENCE: Relativity and Its Discontents by Robert Marc Friedman

    NASA Astrophysics Data System (ADS)

    Friedman, Robert Marc

    2015-04-01

    TRANSCENDENCE explores aspects of Einstein's life and his general theory of relativity at the time of the theory's creation and initial reception. While being faithful to historical scholarship, the play creates its own theatrical reality aiming to engage emotions and intellect. Those who strive for transcendence must nevertheless also confront the harsh realities of living in specific time-bound social contexts. Universal constants that anchor physical theory in an objective reality, as Einstein believed, do not readily have equivalents in notions of identity, duty, loyalty, and excellence. In November 1915 after toiling for years in Zurich, Prague, and now Berlin, Einstein achieved his general theory of relativity. When in 1919 British astronomers announced evidence for the bending of starlight by the sun as Einstein had predicted, he soon surprisingly found himself an international celebrity. Expectations arose that he would be called to Stockholm. But the Nobel Committee for Physics refused to acknowledge ``speculations'' such Einstein's. The dismissal of relativity entailed principled and biased opposition, and not simply mistakes in evaluation. Several committee members agreed that Einstein must not receive a Prize. Join us for a dramatic staged reading of TRANSCENDENCE, a play by the science historian Robert Marc Friedman (http://www.hf.uio.no/iakh/english/people/aca/robertfr/index.html) and directed by James Glossman, Lecturer in Directing and Shakespeare, Johns Hopkins University. After the performance, the playwright, director and actors will be available for a talk-back audience discussion.

  13. SeaMARC II mapping of transform faults in the Cayman Trough, Caribbean Sea

    USGS Publications Warehouse

    Rosencrantz, Eric; Mann, Paul

    1992-01-01

    SeaMARC II maps of the southern wall of the Cayman Trough between Honduras and Jamaica show zones of continuous, well-defined fault lineaments adjacent and parallel to the wall, both to the east and west of the Cayman spreading axis. These lineaments mark the present, active traces of transform faults which intersect the southern end of the spreading axis at a triple junction. The Swan Islands transform fault to the west is dominated by two major lineaments that overlap with right-stepping sense across a large push-up ridge beneath the Swan Islands. The fault zone to the east of the axis, named the Walton fault, is more complex, containing multiple fault strands and a large pull-apart structure. The Walton fault links the spreading axis to Jamaican and Hispaniolan strike-slip faults, and it defines the southern boundary of a microplate composed of the eastern Cayman Trough and western Hispaniola. The presence of this microplate raises questions about the veracity of Caribbean plate velocities based primarily on Cayman Trough opening rates.

  14. Triterpene glycosides from red ginseng marc and their anti-inflammatory activities.

    PubMed

    Chung, Ill-Min; Kim, Young-Ock; Ali, Mohammed; Kim, Seung-Hyun; Park, Inmyoung; Kim, Eun-Hye; Yang, Ye-Sul; Park, Hye-Ran; Son, Eun-Suk; Ahmad, Ateeque

    2014-09-01

    Three new triterpene glycosides ursan-3β,19α,22β-triol-3-O-β-D-glucopyranosyl (2'→1″)-β-D-glucopyranoside (1), ursan-3α,11β-diol-3-O-α-D-glucopyranosyl-(6'→1″)-α-D-glucopyranosyl-(6″→1‴)-α-D-glucopyranosyl-(6‴→1‴')-α-D-glucopyranoside (2) and lanost-5,24-dien-3β-ol-3-O-β-D-glucopyranosyl-(6'→1″)-β-D-glucopyranosyl-(6″→1‴)-β-D-glucopyranoside (3), together with one known compound were isolated and identified from the marc of red ginseng. Their structures were elucidated by spectroscopic data analysis. Compounds (1-3) were investigated for anti-inflammatory effects using the RAW 264.7 macrophage cell line. In the cell proliferation assay, lipopolysaccharide stimulation decreased cell proliferation of RAW 264.7 macrophage cells, but the suppression of cell proliferation was significantly protected by treatment with compounds 2 and 3. Compounds 2 and 3 had a suppressive effect on the production of nitric oxide (NO), and they inhibited mRNA expression of proinflammatory mediators such as inducible nitric oxide synthase, and cyclooxygenase-2, and proinflammatory cytokines such as two interleukins and tumor necrosis factor-α. These findings suggest that compounds 2 and 3 have potential anti-inflammatory activities.

  15. Abner Doubleday, Marc Bloch, and the cultural significance of baseball in rural America.

    PubMed

    Vaught, David

    2011-01-01

    In 1907 baseball's promoters decreed that Civil War hero Abner Doubleday created the game in the village of Cooperstown, New York, in 1839. Baseball thus acquired a distinctly rural American origin and a romantic pastoral appeal. Skeptics have since presented irrefutable evidence that America's pastime was neither born in the United States nor was a product of rural life. But in their zeal to debunk the myth of baseball's rural beginnings, historians have fallen prey to what Annales School founder Marc Bloch famously called the "idol of origins," and all but neglected the very real phenomenon of rural baseball itself. The claim that baseball has always been "a city game for city men" does not stand up to empirical scrutiny anymore than the Doubleday myth itself, as this address demonstrates with three case studies -- Cooperstown in the 1830s, Davisville, California, in the 1880s, and Milroy, Minnesota, in the 1950s. Baseball may have been a source of rural nostalgia for city people, but it was the sport of choice for farmers and a powerful cultural agent.

  16. Improving green waste composting by addition of sugarcane bagasse and exhausted grape marc.

    PubMed

    Zhang, Lu; Sun, Xiangyang

    2016-10-01

    The composting of lignocellulosic waste into compost is a potential way of sustainably disposing of a waste while generating a useful product. The current study determined whether the addition of sugarcane bagasse (SCB) (at 0, 15, and 25%) and/or exhausted grape marc (EGM) (at 0, 10, and 20%) improved the two-stage composting of green waste (GW). The combined addition of SCB and EGM improved composting conditions and the quality of the compost product in terms of temperature, water-holding capacity, particle-size distribution, coarseness index, pH, electrical conductivity, water-extractable organic carbon and nitrogen, microbial numbers, enzymatic activities, polysaccharide and lignin content, nutrient content, respiration, and phytotoxicity. The optimal two-stage composting and the best quality compost were obtained with the combined addition of 15% SCB and 20% EGM. With the optimized two-stage composting method, the compost matured in only 21days rather than in the 90-270days required for traditional composting.

  17. A homosexual militant at the beginning of the century: Marc André Raffalovich.

    PubMed

    Cardon, P

    1993-01-01

    This work is based on my thesis from Aix en Provence on French Civilisation and Letters (1984). The head of the examinations was the writer Raymond Jean. My idea is to show how the decadent writer and poet Marc André Raffalovich fought against the personalities in science concerning homosexuality with a new point of view and with great difficulty, shedding new light on this subject in a review from 1886 to 1914 under the direction of Dr. Alexandre Lacassagne Les Archives d'Anthropologie Criminelle de Médecine Légale et de Psychologie Normale et Pathologique published in 1886, edited by the director A. Lacassagne, professor and chairman of legal medicine, Lyon, and author of the article "Pederastie," Dictionnaire Encyclopedique des Sciences Medicales, volume XXII published in 1886. In 1893, he wrote an introduction for l'Inversion Sexuelle of Dr. Julien Chevalier (Paris: Masson-Lyon Storck). This monthly review "d'au moins 80 pages" was called L'Ecole Lyonnaise, and so to say, l'Ecole Francaise d'Anthropologie Criminelle, which defends against l'Ecole Italienne of Lombroso, the culturalist theory of the birth of the criminal; according to this école du milieu social: "La Société a les criminels qu'elle merite" (The society has criminals it deserves). After the first world war, it was to be overridden by the Marxist analysis. PMID:8301079

  18. Fermented grape marc (FGM): immunomodulating properties and its potential exploitation in the treatment of neurodegenerative diseases.

    PubMed

    Marzulli, G; Magrone, T; Kawaguchi, K; Kumazawa, Y; Jirillo, E

    2012-01-01

    The onset of neurodegenerative diseases has become more frequent than in the past also in relation to inappropriate dietary habits adopted in the western world. Nutraceuticals are currently investigated in order to prevent or retard the outcome of the so-called diet-related diseases, even including neurodegenerative pathologies. Here, we have in vitro studied the ability of fermented grape marc (FGM) from Negroamaro (N) and Koshu (K) Vitis vinifera to modulate the function of human peripheral blood mononuclear cells (PBMCs). Actually, both FGMs were able to increase the release and the intracellular content of inflammatory and anti-inflammatory cytokines, the induction of FoxP3 (a biomarker of T regulatory cells) and reduce the production of Granzyme B from PBMCs. Since these FGM-induced effects tend to polarize the immune response toward an anti-inflammatory pathway, the potential use of FGMs may represent a valid therapeutic measure to mitigating neuroinflammation in pathologies such as Parkinson disease and Alzheimer disease.

  19. Abner Doubleday, Marc Bloch, and the cultural significance of baseball in rural America.

    PubMed

    Vaught, David

    2011-01-01

    In 1907 baseball's promoters decreed that Civil War hero Abner Doubleday created the game in the village of Cooperstown, New York, in 1839. Baseball thus acquired a distinctly rural American origin and a romantic pastoral appeal. Skeptics have since presented irrefutable evidence that America's pastime was neither born in the United States nor was a product of rural life. But in their zeal to debunk the myth of baseball's rural beginnings, historians have fallen prey to what Annales School founder Marc Bloch famously called the "idol of origins," and all but neglected the very real phenomenon of rural baseball itself. The claim that baseball has always been "a city game for city men" does not stand up to empirical scrutiny anymore than the Doubleday myth itself, as this address demonstrates with three case studies -- Cooperstown in the 1830s, Davisville, California, in the 1880s, and Milroy, Minnesota, in the 1950s. Baseball may have been a source of rural nostalgia for city people, but it was the sport of choice for farmers and a powerful cultural agent. PMID:21313784

  20. Hyperspectral Remote Sensing and Ecological Modeling Research and Education at Mid America Remote Sensing Center (MARC): Field and Laboratory Enhancement

    NASA Technical Reports Server (NTRS)

    Cetin, Haluk

    1999-01-01

    The purpose of this project was to establish a new hyperspectral remote sensing laboratory at the Mid-America Remote sensing Center (MARC), dedicated to in situ and laboratory measurements of environmental samples and to the manipulation, analysis, and storage of remotely sensed data for environmental monitoring and research in ecological modeling using hyperspectral remote sensing at MARC, one of three research facilities of the Center of Reservoir Research at Murray State University (MSU), a Kentucky Commonwealth Center of Excellence. The equipment purchased, a FieldSpec FR portable spectroradiometer and peripherals, and ENVI hyperspectral data processing software, allowed MARC to provide hands-on experience, education, and training for the students of the Department of Geosciences in quantitative remote sensing using hyperspectral data, Geographic Information System (GIS), digital image processing (DIP), computer, geological and geophysical mapping; to provide field support to the researchers and students collecting in situ and laboratory measurements of environmental data; to create a spectral library of the cover types and to establish a World Wide Web server to provide the spectral library to other academic, state and Federal institutions. Much of the research will soon be published in scientific journals. A World Wide Web page has been created at the web site of MARC. Results of this project are grouped in two categories, education and research accomplishments. The Principal Investigator (PI) modified remote sensing and DIP courses to introduce students to ii situ field spectra and laboratory remote sensing studies for environmental monitoring in the region by using the new equipment in the courses. The PI collected in situ measurements using the spectroradiometer for the ER-2 mission to Puerto Rico project for the Moderate Resolution Imaging Spectrometer (MODIS) Airborne Simulator (MAS). Currently MARC is mapping water quality in Kentucky Lake and

  1. Born Oppenheimer Molecular Dynamics calculation of the νO-H IR spectra for acetic acid cyclic dimers

    NASA Astrophysics Data System (ADS)

    El Amine Benmalti, Mohamed; Krallafa, Abdelghani; Gaigeot, Marie-Pierre

    2015-01-01

    Both ab initio molecular dynamics simulations based on the Born-Oppenheimer approach calculations and a quantum theoretical model are used in order to study the IR spectrum of the acetic acid dimer in the gas phase. The theoretical model is taking into account the strong anharmonic coupling, Davydov coupling, multiple Fermi resonances between the first harmonics of some bending modes and the first excited state of the symmetric combination of the two vO-H modes and the quantum direct and indirect relaxation. The IR spectra obtained from DFT-based molecular dynamics is compared with our theoretical lineshape and with experiment. Note that in a previous work we have shown that our approach reproduces satisfactorily the main futures of the IR experimental lineshapes of the acetic acid dimer [Mohamed el Amine Benmalti, Paul Blaise, H. T. Flakus, Olivier Henri-Rousseau, Chem Phys, 320(2006) 267-274.].

  2. Rigorous non-Born-Oppenheimer theory: combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory.

    PubMed

    Hoshino, Minoru; Nishizawa, Hiroaki; Nakai, Hiromi

    2011-07-14

    The present study proposes a rigorous non-Born-Oppenheimer theory combining between the explicitly correlated Gaussian (ECG) method and the nuclear orbital plus molecular orbital (NOMO) method. The new method, called ECG-NOMO, adopts the ECG functions between the electronic and nuclear coordinates and, therefore, is capable of describing the nucleus-electron correlation effect accurately. The basic formalism of the ECG-NOMO method is close to the NOMO method, which starts with the Hartree-Fock type equations for NOs and MOs. The present method requires more computational cost than the original NOMO method. However, its cost is significantly smaller than that of the ECG method. The numerical tests was performed for hydrogen-like atoms (H-Ne(9+)) and dihydrogen cations (H(2)(+), D(2)(+) and T(2)(+)), and clarified that the ECG-NOMO method shows the sufficient accuracy. PMID:21766929

  3. Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections

    SciTech Connect

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2011-04-15

    All 18 bound pure vibrational levels of the HD molecule have been calculated within the framework that does not assume the Born-Oppenheimer (BO) approximation. The nonrelativistic energies of the states have been corrected for the relativistic effects of the order of {alpha}{sup 2} (where {alpha} is the fine structure constant), calculated using the perturbation theory with the nonrelativistic non-BO wave functions being the zero-order approximation. The calculations were performed by expanding the non-BO wave functions in terms of one-center explicitly correlated Gaussian functions multiplied by even powers of the internuclear distance and by performing extensive optimization of the Gaussian nonlinear parameters. Up to 10 000 basis functions were used for each state.

  4. Evaluation of carbon degradation during co-composting of exhausted grape marc with different biowastes.

    PubMed

    Fernández, F J; Sánchez-Arias, V; Villaseñor, J; Rodríguez, L

    2008-10-01

    In this work the carbon biodegradation of exhausted grape marc (EGM) combined with other organic wastes using the turned pile composting system was studied. Four different piles were made of EGM in Pile 1, EGM mixed with cow manure and straw (CMS) in Pile 2, EGM mixed with municipal solid waste (MSW) in Pile 3 and EGM mixed with grape stalks (GS) in Pile 4. The results obtained were modelled to determine the main kinetic and stoichiometric parameters. Regarding to the rate constants of the composting processes they were increased from 0.033d(-1), the value obtained when EGM was composted alone, to 0.040 and 0.044d(-1) when MSW and GS were added, respectively as co-substrates. However, the addition of CMS reduced the rate constant. About the biodegradable carbon fractions, it was observed that the co-composting reduced significantly the remanent carbon concentration after composting in all the piles whilst increased the readily biodegradable carbon fractions from 35, the value obtained when EGM was composted alone, to 50 and 60%, respectively when MSW or GS were added. As regards the temperature profiles, only Piles 1 and 4 achieved thermal hygienization values and about the nitrogen losses, the lowest percentage of nitrogen loss took place when GS were added, because of its optimum pH and C/N initial ratio. Thus, though any of these wastes could be used for co-composting with EGM, the use of GS as co-substrate and bulking agent for the co-composting process of EGM was recommended.

  5. Characteristics of a sandy depositional lobe on the outer Mississippi fan from SeaMARC IA sidescan sonar images

    USGS Publications Warehouse

    Twichell, David C.; Schwab, William C.; Nelson, C. Hans; Kenyon, Neil H.; Lee, Homa J.

    1992-01-01

    SeaMARC IA sidescan sonar images of the distal reaches of a depositional lobe on the Mississippi Fan show that channelized rather than unconfined transport was the dominant transport mechanism for coarse-grained sediment during the formation of this part of the deep-sea fan. Overbank sheet flow of sands was not an important process in the transport and deposition of the sandy and silty sediment found on this fan. The dendritic distributary pattern and the high order of splaying of the channels, only one of which appears to have been active at a time, suggest that coarse-grained deposits on this fan are laterally discontinuous.

  6. [Pharmacists as pioneers in porcelain production: what the service, Flora Danica owe to the Bordeaux's apothecary Marc-Hilaire Vilaris].

    PubMed

    Devaux, Guy

    2004-01-01

    In 1766, The Bordeaux's apothecary Marc-Hilaire Vilaris (1719-1792) identified with certainty a kaolin's deposit at Saint-Yrieix, in the country of Limousin, allowing so the porcelain manufacture in France and the development of a china clay's and porcelain's dough trade. Archives documents give evidence of regularly supplies of limousin's raw materials by the pharmacist Frantz Heinrich Müller (1732-1820), Director of the Royal china's Manufactury of Denmark, some time before production of the famous table service Flora Danica.

  7. Sea-floor observations in the tongue of the ocean, Bahamas: An Argo/SeaMARC survey

    USGS Publications Warehouse

    Schwab, W.C.; Uchupi, E.; Ballard, Richard D.; Dettweiler, T.K.

    1989-01-01

    SeaMARC side-scan sonographs and Argo video and photographic data suggest that the recent sedimentary environment of the floor of the Tongue of the Ocean is controlled by an interplay of turbidity current flow from the south, sediment spill-over from the carbonate platform to the east (windward side), and rock falls from the west carbonate escarpment (lee side). The spill-over forms a sandy sedimentary deposit that acts as a topographic obstruction to the turbidity current flow from the south. This obstruction is expressed by the westward migration of a northwest-southeast oriented turbidity-current-cut channel. ?? 1989 Springer-Verlag New York Inc.

  8. [Pharmacists as pioneers in porcelain production: what the service, Flora Danica owe to the Bordeaux's apothecary Marc-Hilaire Vilaris].

    PubMed

    Devaux, Guy

    2004-01-01

    In 1766, The Bordeaux's apothecary Marc-Hilaire Vilaris (1719-1792) identified with certainty a kaolin's deposit at Saint-Yrieix, in the country of Limousin, allowing so the porcelain manufacture in France and the development of a china clay's and porcelain's dough trade. Archives documents give evidence of regularly supplies of limousin's raw materials by the pharmacist Frantz Heinrich Müller (1732-1820), Director of the Royal china's Manufactury of Denmark, some time before production of the famous table service Flora Danica. PMID:15264339

  9. Characteristics of a sandy depositional lobe on the outer Mississippi fan from SeaMARC IA sidescan sonar images

    SciTech Connect

    Twichell, D.C.; Schwab, W.C. ); Nelson, C.H.; Lee, H.J. ); Kenyon, N.H. )

    1992-08-01

    SeaMARC IA sidescan sonar images of the distal reaches of a depositional lobe on the Mississippi Fan show that channelized rather than unconfined transport was the dominant transport mechanism for coarse-grained sediment during the formation of this part of the deep-sea fan. Overbank sheet flow of sands was not an important process in the transport and deposition of the sandy and silty sediment found on this fan. The dendritic distributary pattern and the high order of splaying of the channels, only one which appears to have been active at a time, suggest that coarse-grained deposits on this fan are laterally discontinuous.

  10. Benchmark calculations of the complete configuration-interaction limit of Born-Oppenheimer diagonal corrections to the saddle points of isotopomers of the H + H2 reaction.

    PubMed

    Mielke, Steven L; Schwenke, David W; Peterson, Kirk A

    2005-06-01

    We present a detailed ab initio study of the effect that the Born-Oppenheimer diagonal correction (BODC) has on the saddle-point properties of the H3 system and its isotopomers. Benchmark values are presented that are estimated to be within 0.1 cm(-1) of the complete configuration-interaction limit. We consider the basis set and correlation treatment requirements for accurate BODC calculations, and both are observed to be more favorable than for the Born-Oppenheimer energies. The BODC raises the H + H2 barrier height by 0.1532 kcal/mol and slightly narrows the barrier--with the imaginary frequency increasing by approximately 2%. PMID:15974674

  11. Benchmark calculations of the complete configuration-interaction limit of Born-Oppenheimer diagonal corrections to the saddle points of isotopomers of the H +H2 reaction

    NASA Astrophysics Data System (ADS)

    Mielke, Steven L.; Schwenke, David W.; Peterson, Kirk A.

    2005-06-01

    We present a detailed ab initio study of the effect that the Born-Oppenheimer diagonal correction (BODC) has on the saddle-point properties of the H3 system and its isotopomers. Benchmark values are presented that are estimated to be within 0.1cm-1 of the complete configuration-interaction limit. We consider the basis set and correlation treatment requirements for accurate BODC calculations, and both are observed to be more favorable than for the Born-Oppenheimer energies. The BODC raises the H+H2 barrier height by 0.1532kcal/mol and slightly narrows the barrier—with the imaginary frequency increasing by ˜2%.

  12. Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.

    PubMed

    Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

    2015-10-14

    Using a simple model Hamiltonian, the three correction terms for Born-Oppenheimer (BO) breakdown, the adiabatic diagonal correction (DC), the first-derivative momentum non-adiabatic correction (FD), and the second-derivative kinetic-energy non-adiabatic correction (SD), are shown to all contribute to thermodynamic and spectroscopic properties as well as to thermal non-diabatic chemical reaction rates. While DC often accounts for >80% of thermodynamic and spectroscopic property changes, the commonly used practice of including only the FD correction in kinetics calculations is rarely found to be adequate. For electron-transfer reactions not in the inverted region, the common physical picture that diabatic processes occur because of surface hopping at the transition state is proven inadequate as the DC acts first to block access, increasing the transition state energy by (ℏω)(2)λ/16J(2) (where λ is the reorganization energy, J the electronic coupling and ω the vibration frequency). However, the rate constant in the weakly-coupled Golden-Rule limit is identified as being only inversely proportional to this change rather than exponentially damped, owing to the effects of tunneling and surface hopping. Such weakly-coupled long-range electron-transfer processes should therefore not be described as "non-adiabatic" processes as they are easily described by Born-Huang ground-state adiabatic surfaces made by adding the DC to the BO surfaces; instead, they should be called just "non-Born-Oppenheimer" processes. The model system studied consists of two diabatic harmonic potential-energy surfaces coupled linearly through a single vibration, the "two-site Holstein model". Analytical expressions are derived for the BO breakdown terms, and the model is solved over a large parameter space focusing on both the lowest-energy spectroscopic transitions and the quantum dynamics of coherent-state wavepackets. BO breakdown is investigated pertinent to: ammonia inversion, aromaticity

  13. Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.

    PubMed

    Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

    2015-10-14

    Using a simple model Hamiltonian, the three correction terms for Born-Oppenheimer (BO) breakdown, the adiabatic diagonal correction (DC), the first-derivative momentum non-adiabatic correction (FD), and the second-derivative kinetic-energy non-adiabatic correction (SD), are shown to all contribute to thermodynamic and spectroscopic properties as well as to thermal non-diabatic chemical reaction rates. While DC often accounts for >80% of thermodynamic and spectroscopic property changes, the commonly used practice of including only the FD correction in kinetics calculations is rarely found to be adequate. For electron-transfer reactions not in the inverted region, the common physical picture that diabatic processes occur because of surface hopping at the transition state is proven inadequate as the DC acts first to block access, increasing the transition state energy by (ℏω)(2)λ/16J(2) (where λ is the reorganization energy, J the electronic coupling and ω the vibration frequency). However, the rate constant in the weakly-coupled Golden-Rule limit is identified as being only inversely proportional to this change rather than exponentially damped, owing to the effects of tunneling and surface hopping. Such weakly-coupled long-range electron-transfer processes should therefore not be described as "non-adiabatic" processes as they are easily described by Born-Huang ground-state adiabatic surfaces made by adding the DC to the BO surfaces; instead, they should be called just "non-Born-Oppenheimer" processes. The model system studied consists of two diabatic harmonic potential-energy surfaces coupled linearly through a single vibration, the "two-site Holstein model". Analytical expressions are derived for the BO breakdown terms, and the model is solved over a large parameter space focusing on both the lowest-energy spectroscopic transitions and the quantum dynamics of coherent-state wavepackets. BO breakdown is investigated pertinent to: ammonia inversion, aromaticity

  14. 2',5'-Oligoadenylate synthetase 1(OAS1) inhibits PRRSV replication in Marc-145 cells.

    PubMed

    Zhao, Jinhua; Feng, Na; Li, Zhenhong; Wang, Peng; Qi, Ziyu; Liang, Wan; Zhou, Xiang; Xu, Xuewen; Liu, Bang

    2016-08-01

    Porcine reproductive and respiratory syndrome virus (PRRSV) is an economically destructive disease for global pig industry. Although its invasion mechanism is clear, the knowledge of pathogen and host interaction is less known. Here, we found that PPRSV infection led to induction of 2', 5'-oligoadenylate synthetase gene 1(OAS1), an important interferon-stimulated gene. More importantly, ectopic overexpression of OAS1 significantly restricted the replication of PRRSV in 24 and 36 h post-infection in Marc-145 cells, and indirect immunofluorescence assay with antibody against PRRSV N protein displayed significantly lower frequency of fluorescence stained cells and reduced cytopathogenic effects of PRRSV on OAS1-transfected Marc-145 cells. Meanwhile, knockdown of endogenous OAS1 increased the PRRSV ORF7 mRNA level to 1.6 and 1.7 times of that in control in 24 and 36 h post-infection of PRRSV, and led to approximate 5.5 times increase of the frequency of fluorescence positive cells compared to negative control (p < 0.01). The obtained results strongly support a direct restriction function of OAS1 to PRRSV replication, which may contribute to the antiviral effect of the interferon system on PRRSV replication. PMID:27395032

  15. Heavy Element Effects in the Diagonal Born-Oppenheimer Correction within a Relativistic Spin-Free Hamiltonian.

    PubMed

    Imafuku, Yuji; Abe, Minori; Schmidt, Michael W; Hada, Masahiko

    2016-04-01

    Methodologies beyond the Born-Oppenheimer (BO) approximation are nowadays important to explain high precision spectroscopic measurements. Most previous evaluations of the BO correction are, however, focused on light-element molecules and based on a nonrelativistic Hamiltonian, so no information about the BO approximation (BOA) breakdown in heavy-element molecules is available. The present work is the first to investigate the BOA breakdown for the entire periodic table, by considering scalar relativistic effects in the Diagonal BO correction (DBOC). In closed shell atoms, the relativistic EDBOC scales as Z(1.25) and the nonrelativistic EDBOC scales as Z(1.17), where Z is the atomic number. Hence, we found that EDBOC becomes larger in heavy element atoms and molecules, and the relativistic EDBOC increases faster than nonrelativistic EDBOC. We have further investigated the DBOC effects on properties such as potential energy curves, spectroscopic parameters, and various energetic properties. The DBOC effects for these properties are mostly affected by the lightest atom in the molecule. Hence, in X2 or XAt molecule (X = H, Li, Na, K, Rb, and Cs) the effect of DBOC systematically decreases when X becomes heavier but in HX molecules, the effect of DBOC seems relatively similar among all the molecules. PMID:27003510

  16. Heavy Element Effects in the Diagonal Born-Oppenheimer Correction within a Relativistic Spin-Free Hamiltonian.

    PubMed

    Imafuku, Yuji; Abe, Minori; Schmidt, Michael W; Hada, Masahiko

    2016-04-01

    Methodologies beyond the Born-Oppenheimer (BO) approximation are nowadays important to explain high precision spectroscopic measurements. Most previous evaluations of the BO correction are, however, focused on light-element molecules and based on a nonrelativistic Hamiltonian, so no information about the BO approximation (BOA) breakdown in heavy-element molecules is available. The present work is the first to investigate the BOA breakdown for the entire periodic table, by considering scalar relativistic effects in the Diagonal BO correction (DBOC). In closed shell atoms, the relativistic EDBOC scales as Z(1.25) and the nonrelativistic EDBOC scales as Z(1.17), where Z is the atomic number. Hence, we found that EDBOC becomes larger in heavy element atoms and molecules, and the relativistic EDBOC increases faster than nonrelativistic EDBOC. We have further investigated the DBOC effects on properties such as potential energy curves, spectroscopic parameters, and various energetic properties. The DBOC effects for these properties are mostly affected by the lightest atom in the molecule. Hence, in X2 or XAt molecule (X = H, Li, Na, K, Rb, and Cs) the effect of DBOC systematically decreases when X becomes heavier but in HX molecules, the effect of DBOC seems relatively similar among all the molecules.

  17. High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule.

    PubMed

    Sims, James S; Hagstrom, Stanley A

    2006-03-01

    Born-Oppenheimer approximation Hylleraas variational calculations with up to 7034 expansion terms are reported for the 1sigma(g)+ ground state of neutral hydrogen at various internuclear distances. The nonrelativistic energy is calculated to be -1.174 475 714 220(1) hartree at R = 1.4 bohr, which is four orders of magnitude better than the best previous Hylleraas calculation, that of Wolniewicz [J. Chem. Phys. 103, 1792 (1995)]. This result agrees well with the best previous variational energy, -1.174 475 714 216 hartree, of Cencek (personal communication), obtained using explicitly correlated Gaussians (ECGs) [Cencek and Rychlewski, J. Chem. Phys. 98, 1252 (1993); Cencek et al., ibid. 95, 2572 (1995); Rychlewski, Adv. Quantum Chem. 31, 173 (1998)]. The uncertainty in our result is also discussed. The nonrelativistic energy is calculated to be -1.174 475 931 399(1) hartree at the equilibrium R = 1.4011 bohr distance. This result also agrees well with the best previous variational energy, -1.174 475 931 389 hartree, of Cencek and Rychlewski [Rychlewski, Handbook of Molecular Physics and Quantum Chemistry, edited by S. Wilson (Wiley, New York, 2003), Vol. 2, pp. 199-218; Rychlewski, Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications, edited by J. Rychlewski (Kluwer Academic, Dordrecht, 2003), pp. 91-147.], obtained using ECGs. PMID:16526839

  18. Selective Excitation of Atomic-Scale Dynamics by Coherent Exciton Motion in the Non-Born-Oppenheimer Regime.

    PubMed

    Nie, Zhaogang; Long, Run; Li, Jialin; Zheng, Yi Ying; Prezhdo, Oleg V; Loh, Zhi-Heng

    2013-12-19

    Time-domain investigations of the nonadiabatic coupling between electronic and vibrational degrees of freedom have focused primarily on the formation of electronic superpositions induced by atomic motion. The effect of electronic nonstationary-state dynamics on atomic motion remains unexplored. Here, phase-coherent excitation of the two lowest electronic transitions in semiconducting single-walled carbon nanotubes by broadband <5-fs pulses directly triggers coherent exciton motion along the axis of the nanotubes. Optical pump-probe spectroscopy with sub-10-fs time resolution reveals that exciton motion selectively excites the high-frequency G mode coherent phonon, in good agreement with results obtained from time-domain ab initio simulations. This observed phenomenon arises from the direct modulation of the C-C interatomic potential by coherent exciton motion on a time scale that is commensurate with atomic motion. Our results suggest the possibility of employing light-field manipulation of electron densities in the non-Born-Oppenheimer regime to initiate selective atomic motion. PMID:26296176

  19. Heavy element effects in the diagonal Born–Oppenheimer correction within a relativistic spin-free Hamiltonian

    DOE PAGES

    Imafuku, Yuji; Abe, Minori; Schmidt, Michael W.; Hada, Masahiko

    2016-03-22

    Methodologies beyond the Born–Oppenheimer (BO) approximation are nowadays important to explain high precision spectroscopic measurements. Most previous evaluations of the BO correction are, however, focused on light-element molecules and based on a nonrelativistic Hamiltonian, so no information about the BO approximation (BOA) breakdown in heavy-element molecules is available. The present work is the first to investigate the BOA breakdown for the entire periodic table, by considering scalar relativistic effects in the Diagonal BO correction (DBOC). In closed shell atoms, the relativistic EDBOC scales as Z1.25 and the nonrelativistic EDBOC scales as Z1.17, where Z is the atomic number. Hence, wemore » found that EDBOC becomes larger in heavy element atoms and molecules, and the relativistic EDBOC increases faster than nonrelativistic EDBOC. We have further investigated the DBOC effects on properties such as potential energy curves, spectroscopic parameters, and various energetic properties. The DBOC effects for these properties are mostly affected by the lightest atom in the molecule. Furthermore, in X2 or XAt molecule (X = H, Li, Na, K, Rb, and Cs) the effect of DBOC systematically decreases when X becomes heavier but in HX molecules, the effect of DBOC seems relatively similar among all the molecules.« less

  20. Beyond the Born-Oppenheimer approximation: a treatment of electronic flux density in electronically adiabatic molecular processes.

    PubMed

    Diestler, D J

    2013-06-01

    Intuition suggests that a molecular system in the electronic ground state Φ0 should exhibit an electronic flux density (EFD) in response to the motion of its nuclei. If that state is described by the Born-Oppenheimer approximation (BOA), however, a straightforward calculation of the EFD yields zero, since the electrons are in a stationary state, regardless of the state of the nuclear motion. Here an alternative pathway to a nonzero EFD from a knowledge of only the BOA ground-state wave function is proposed. Via perturbation theory a complete set of approximate vibronic eigenfunctions of the whole Hamiltonian is generated. If the complete non-BOA wave function is expressed in the basis of these vibronic eigenfunctions, the ground-state contribution to the EFD is found to involve a summation over excited states. Evaluation of this sum through the so-called "average excitation energy approximation" produces a nonzero EFD. An explicit formula for the EFD for the prototypical system, namely, oriented H2+ vibrating in the electronic ground state, is derived.

  1. High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule

    NASA Astrophysics Data System (ADS)

    Sims, James S.; Hagstrom, Stanley A.

    2006-03-01

    Born-Oppenheimer approximation Hylleraas variational calculations with up to 7034 expansion terms are reported for the Σg+1 ground state of neutral hydrogen at various internuclear distances. The nonrelativistic energy is calculated to be -1.174475714220(1)hartree at R =1.4bohr, which is four orders of magnitude better than the best previous Hylleraas calculation, that of Wolniewicz [J. Chem. Phys. 103, 1792 (1995)]. This result agrees well with the best previous variational energy, -1.174475714216hartree, of Cencek (personal communication), obtained using explicitly correlated Gaussians (ECGs) [Cencek and Rychlewski, J. Chem. Phys. 98, 1252 (1993); Cencek et al., ibid. 95, 2572 (1995); Rychlewski, Adv. Quantum Chem. 31, 173 (1998)]. The uncertainty in our result is also discussed. The nonrelativistic energy is calculated to be -1.174475931399(1)hartree at the equilibrium R =1.4011bohr distance. This result also agrees well with the best previous variational energy, -1.174475931389hartree, of Cencek and Rychlewski [Rychlewski, Handbook of Molecular Physics and Quantum Chemistry, edited by S. Wilson (Wiley, New York, 2003), Vol. 2, pp. 199-218; Rychlewski, Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications, edited by J. Rychlewski (Kluwer Academic, Dordrecht, 2003), pp. 91-147.], obtained using ECGs.

  2. Mapping and converting essential Federal Geographic Data Committee (FGDC) metadata into MARC21 and Dublin Core: towards an alternative to the FGDC Clearinghouse

    USGS Publications Warehouse

    Chandler, A.; Foley, D.; Hafez, A.M.

    2000-01-01

    The purpose of this article is to raise and address a number of issues related to the conversion of Federal Geographic Data Committee metadata into MARC21 and Dublin Core. We present an analysis of 466 FGDC metadata records housed in the National Biological Information Infrastructure (NBII) node of the FGDC Clearinghouse, with special emphasis on the length of fields and the total length of records in this set. One of our contributions is a 34 element crosswalk, a proposal that takes into consideration the constraints of the MARC21 standard as implemented in OCLC's World Cat and the realities of user behavior.

  3. Identification of a new cell line permissive to porcine reproductive and respiratory syndrome virus infection and replication which is phenotypically distinct from MARC-145 cell line

    PubMed Central

    2012-01-01

    Background Airborne transmitted pathogens, such as porcine reproductive and respiratory syndrome virus (PRRSV), need to interact with host cells of the respiratory tract in order to be able to enter and disseminate in the host organism. Pulmonary alveolar macrophages (PAM) and MA104 derived monkey kidney MARC-145 cells are known to be permissive to PRRSV infection and replication and are the most studied cells in the literature. More recently, new cell lines developed to study PRRSV have been genetically modified to make them permissive to the virus. The SJPL cell line origin was initially reported to be epithelial cells of the respiratory tract of swine. Thus, the goal of this study was to determine if SJPL cells could support PRRSV infection and replication in vitro. Results The SJPL cell growth was significantly slower than MARC-145 cell growth. The SJPL cells were found to express the CD151 protein but not the CD163 and neither the sialoadhesin PRRSV receptors. During the course of the present study, the SJPL cells have been reported to be of monkey origin. Nevertheless, SJPL cells were found to be permissive to PRRSV infection and replication even if the development of the cytopathic effect was delayed compared to PRRSV-infected MARC-145 cells. Following PRRSV replication, the amount of infectious viral particles produced in SJPL and MARC-145 infected cells was similar. The SJPL cells allowed the replication of several PRRSV North American strains and were almost efficient as MARC-145 cells for virus isolation. Interestingly, PRRSV is 8 to 16 times more sensitive to IFNα antiviral effect in SJPL cell in comparison to that in MARC-145 cells. PRRSV induced an increase in IFNβ mRNA and no up regulation of IFNα mRNA in both infected cell types. In addition, PRRSV induced an up regulation of IFNγ and TNF-α mRNAs only in infected MARC-145 cells. Conclusions In conclusion, the SJPL cells are permissive to PRRSV. In addition, they are phenotypically different

  4. A grid of MARCS model atmospheres for late-type stars. I. Methods and general properties

    NASA Astrophysics Data System (ADS)

    Gustafsson, B.; Edvardsson, B.; Eriksson, K.; Jørgensen, U. G.; Nordlund, Å.; Plez, B.

    2008-08-01

    Context: In analyses of stellar spectra and colours, and for the analysis of integrated light from galaxies, a homogeneous grid of model atmospheres of late-type stars and corresponding flux spectra is needed. Aims: We construct an extensive grid of spherically-symmetric models (supplemented with plane-parallel ones for the highest surface gravities), built on up-to-date atomic and molecular data, and make it available for public use. Methods: The most recent version of the MARCS program is used. Results: We present a grid of about 104 model atmospheres for stars with 2500 K ≤ T_eff ≤ 8000 K, -1 ≤ log g = log (GM/R^2) ≤ 5 (cgs) with various masses and radii, -5 ≤ [Me/H] ≤ +1, with [ α/Fe] = 0.0 and 0.4 and different choices of C and N abundances. This includes “CN-cycled” models with C/N = 4.07 (solar), 1.5 and 0.5, C/O ranging from 0.09 to (normally) 5.0 to also represent stars of spectral types R, S and N, and with 1.0 ≤ ξt ≤ 5 km s-1. We also list thermodynamic quantities (T, P_g, P_e, ρ, partial pressures of molecules, etc.) and provide them on the World Wide Web, as well as calculated fluxes in approximately 108 000 wavelength points. Underlying assumptions in addition to 1D stratification (spherical or plane-parallel) include hydrostatic equilibrium, mixing-length convection and local thermodynamic equilibrium. We discuss a number of general properties of the models, in particular in relation to the effects of changing abundances, of blanketing, and of sphericity. We illustrate positive and negative feedbacks between sphericity and molecular blanketing. We compare the models with those of other available grids and find excellent agreement with plane-parallel models of Castelli & Kurucz (if convection is treated consistently) within the overlapping parameter range. Although there are considerable departures from the spherically-symmetric NextGen models, the agreement with more recent PHOENIX models is gratifying. Conclusions: The models

  5. 77 FR 19610 - Marc Knapp, Inmate #-06450-015, FCI Safford, P.O. Box 9000, Safford, AZ 85548; Order Denying...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-02

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF COMMERCE Bureau of Industry and Security Marc Knapp, Inmate --06450-015, FCI Safford, P.O. Box 9000, Safford, AZ....O. Box 9000, Safford, AZ 85548, and when acting for or on behalf of Knapp, his...

  6. Exploring the use of Saccharomyces cerevisiae commercial strain and Saccharomycodes ludwigii natural isolate for grape marc fermentation to improve sensory properties of spirits.

    PubMed

    Bovo, Barbara; Carlot, Milena; Lombardi, Angiolella; Lomolino, Giovanna; Lante, Anna; Giacomini, Alessio; Corich, Viviana

    2014-08-01

    In Mediterranean countries the most diffuse practice to obtain the valorization of grape marc, the main by-product from winemaking, is the production of spirits. During this process, marc storage for sugar fermentation represents a crucial step, since side-fermentations leading to off-flavours production can very easily occur. In this study we evaluated the effect of the addition of two yeast strains, inoculated separately at the beginning of the storage period, into marcs from two Italian grape varieties with the aim to control the development of autochthonous microbiota and to improve spirit quality. The presence of the inoculated strains was monitored by means of PCR-based approaches. A commercial Saccharomyces cerevisiae strain, chosen as this species is notably the best ethanol producer, showed excellent ability to dominate the autochthonous microflora and to reduce off-flavours as demonstrated by chemical analysis and sensory evaluation. A Saccharomycodes ludwigii strain, chosen for increasing varietal compounds thus enhancing spirit aroma, showed a level of implantation not sufficient to assure a clear beneficial effect on quality. The implantation level of this strain was affected by S. cerevisiae competition since the highest level was found in grape marc with lower sugar content, where indigenous S. cerevisiae were less persistent. PMID:24750811

  7. Lagrangian formulation with dissipation of Born-Oppenheimer molecular dynamics using the density-functional tight-binding method

    NASA Astrophysics Data System (ADS)

    Zheng, Guishan; Niklasson, Anders M. N.; Karplus, Martin

    2011-07-01

    An important element determining the time requirements of Born-Oppenheimer molecular dynamics (BOMD) is the convergence rate of the self-consistent solution of Roothaan equations (SCF). We show here that improved convergence and dynamics stability can be achieved by use of a Lagrangian formalism of BOMD with dissipation (DXL-BOMD). In the DXL-BOMD algorithm, an auxiliary electronic variable (e.g., the electron density or Fock matrix) is propagated and a dissipative force is added in the propagation to maintain the stability of the dynamics. Implementation of the approach in the self-consistent charge density functional tight-binding method makes possible simulations that are several hundred picoseconds in lengths, in contrast to earlier DFT-based BOMD calculations, which have been limited to tens of picoseconds or less. The increase in the simulation time results in a more meaningful evaluation of the DXL-BOMD method. A comparison is made of the number of iterations (and time) required for convergence of the SCF with DXL-BOMD and a standard method (starting with a zero charge guess for all atoms at each step), which gives accurate propagation with reasonable SCF convergence criteria. From tests using NVE simulations of C2F4 and 20 neutral amino acid molecules in the gas phase, it is found that DXL-BOMD can improve SCF convergence by up to a factor of two over the standard method. Corresponding results are obtained in simulations of 32 water molecules in a periodic box. Linear response theory is used to analyze the relationship between the energy drift and the correlation of geometry propagation errors.

  8. Charge Transfer Reactions Induce Born-Oppenheimer Breakdown in Surface Chemistry: Applications of Double Resonance Spectroscopy in Molecule-Surface Scattering

    NASA Astrophysics Data System (ADS)

    Wodtke, Alec M.

    2013-06-01

    Atomic and molecular interactions constitute a many-body quantum problem governed fundamentally only by the Coulomb forces between many electrons and nuclei. While simple to state, computers are simply not fast enough to solve this problem by brute force, except for the simplest examples. Combining the Born-Oppenheimer Approximation (BOA) with Density Functional Theory (DFT), however, allows theoretical simulations of extraordinarily complex chemical systems including molecular interactions at solid metal surfaces, the physical basis of surface chemistry. This lecture describes experiments demonstrating the limits of the BOA/DFT approximation as it relates to molecules interacting with solid metal surfaces. One of the most powerful experimental tools at our disposal is a form of double resonance spectroscopy, which allows us to define the quantum state of the molecule both before and after the collision with the surface, providing a complete picture of the resulting energy conversion processes. With such data, we are able to emphasize quantitative measurements that can be directly compared to first principles theories that go beyond the Born-Oppenheimer approximation. One important outcome of this work is the realization that Born-Oppenheimer breakdown can be induced by simple charge transfer reactions that are common in surface chemistry. J. D. White, J. Chen, D. Matsiev, D. J. Auerbach and A. M. Wodtke Nature {433}(7025), 503-505 (2005) Y. H. Huang, C. T. Rettner, D. J. Auerbach and A. M. Wodtke Science {290}(5489), 111-114 (2000) R. Cooper, I. Rahinov, Z. S. Li, D. Matsiev, D. J. Auerbach and A. M. Wodtke Chemical Science {1}(1), 55-61 (2010) J. Larue, T. Schäfer, D. Matsiev, L. Velarde, N. H. Nahler, D. J. Auerbach and A. M. Wodtke PCCP {13}(1), 97-99 (2011).

  9. Complete {alpha}{sup 2} relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH{sup +}

    SciTech Connect

    Stanke, Monika; KePdziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik

    2008-02-15

    We report the implementation of the complete set of the lowest-order relativistic corrections of the order of {alpha}{sup 2} (where {alpha} is the fine structure constant) for calculating vibrational states of diatomic molecular systems within the framework that does not assume the Born-Oppenheimer approximation. To test the accuracy of the approach we have performed calculations for all rotationless vibrational states (also called pure vibrational states or S states) of the HeH{sup +} ion in the ground electronic state. For the lowest transitions, where very precise experimental results are available, an excellent agreement with the experimental values has been achieved.

  10. Glycoprotein 5 of porcine reproductive and respiratory syndrome virus strain SD16 inhibits viral replication and causes G2/M cell cycle arrest, but does not induce cellular apoptosis in Marc-145 cells

    SciTech Connect

    Mu, Yang; Li, Liangliang; Zhang, Beibei; Huang, Baicheng; Gao, Jiming; and others

    2015-10-15

    Cell apoptosis is common after infection with porcine reproductive and respiratory syndrome virus (PRRSV). PRRSV GP5 has been reported to induce cell apoptosis. To further understand the role of GP5 in PRRSV induced cell apoptosis, we established Marc-145 cell lines stably expressing full-length GP5, GP5{sup Δ84-96} (aa 84-96 deletion), and GP5{sup Δ97-119} (aa 97-119 deletion). Cell proliferation, cell cycle progression, cell apoptosis and virus replication in these cell lines were evaluated. Neither truncated nor full-length GP5 induced cell apoptosis in Marc-145 cells. However, GP5{sup Δ97-119}, but not full-length or GP5{sup Δ84-96}, induced a cell cycle arrest at the G2/M phase resulting in a reduction in the growth of Marc-145 cells. Additionally, GP5{sup Δ84-96} inhibited the replication of PRRSV in Marc-145 cells through induction of IFN-β. These findings suggest that PRRSV GP5 is not responsible for inducing cell apoptosis in Marc-145 cells under these experimental conditions; however it has other important roles in virus/host cell biology. - Highlights: • Marc-145 cell lines stable expression PRRSV GP5 or truncated GP5 were constructed. • GP5{sup Δ97-119} expression in Marc-145 cell induced cell cycle arrest at G2/M phase. • Expression of GP5 and truncated GP5 could not induce Marc-145 cells apoptosis. • PRRSV replication in Marc-145-GP5{sup Δ84-96} was significantly inhibited.

  11. Insight into selected reactions in low-temperature dimethyl ether combustion from Born-Oppenheimer molecular dynamics.

    PubMed

    Andersen, Amity; Carter, Emily A

    2006-02-01

    Dimethyl ether is under consideration as an alternative diesel fuel. Its combustion chemistry is as yet ill-characterized. Here we use Born-Oppenheimer molecular dynamics (BOMD) based on DFT-B3LYP forces to investigate the short-time dynamics of selected features of the low-temperature dimethyl ether (DME) oxidation potential energy surface. Along the chain propagation pathway, we run BOMD simulations from the transition state involving the decomposition of (*)CH(2)OCH(2)OOH to two CH(2)=O and an (*)OH radical. We predict that formaldehyde C-O stretch overtones are excited, consistent with laser photolysis experiments. We also predict that O-H overtones are excited for the (*)OH formed from (*)CH(2)OCH(2)OOH dissociation. We also investigate short-time dynamics involved in chain branching. First, we examine the isomerization transition state of (*)OOCH(2)OCH(2)OOH --> HOOCH(2)OCHOOH. The latter species is predicted to be a short-lived metastable radical that decomposes within 500 fs to hydroperoxymethyl formate (HPMF; HOOCH(2)OC(=O)H) and the first (*)OH of chain branching. The dissociation of HOOCH(2)OCHOOH exhibits non-RRKM behavior in its lifetime profile, which may be due to conformational constraints or slow intramolecular vibrational energy transfer (IVR) from the nascent H-O bond to the opposite end of the radical, where O-O scission occurs to form HPMF and (*)OH. In a few trajectories, we see HOOCH(2)OCHOOH recross back to (*)OOCH(2)OCH(2)OOH because the isomerization is endothermic, with only an 8 kcal/mol barrier to recrossing. Therefore, some inhibition of chain-branching may be due to recrossing. Second, trajectories run from the transition state leading to the direct decomposition of HPMF (an important source of the second (*)OH radical in chain branching) to HCO, (*)OH, and HC(=O)OH show that these products can recombine to form many other possible products. These products include CH(2)OO + HC(=O)OH, H(2)O + CO + HC(=O)OH, HC(=O)OH + HC(=O)OH, and HC

  12. Benchmark atomization energy of ethane : importance of accurate zero-point vibrational energies and diagonal Born-Oppenheimer corrections for a 'simple' organic molecule.

    SciTech Connect

    Karton, A.; Martin, J. M. L.; Ruscic, B.; Chemistry; Weizmann Institute of Science

    2007-06-01

    A benchmark calculation of the atomization energy of the 'simple' organic molecule C2H6 (ethane) has been carried out by means of W4 theory. While the molecule is straightforward in terms of one-particle and n-particle basis set convergence, its large zero-point vibrational energy (and anharmonic correction thereto) and nontrivial diagonal Born-Oppenheimer correction (DBOC) represent interesting challenges. For the W4 set of molecules and C2H6, we show that DBOCs to the total atomization energy are systematically overestimated at the SCF level, and that the correlation correction converges very rapidly with the basis set. Thus, even at the CISD/cc-pVDZ level, useful correlation corrections to the DBOC are obtained. When applying such a correction, overall agreement with experiment was only marginally improved, but a more significant improvement is seen when hydrogen-containing systems are considered in isolation. We conclude that for closed-shell organic molecules, the greatest obstacles to highly accurate computational thermochemistry may not lie in the solution of the clamped-nuclei Schroedinger equation, but rather in the zero-point vibrational energy and the diagonal Born-Oppenheimer correction.

  13. Functional representation for the born-oppenheimer diagonal correction and born-huang adiabatic potential energy surfaces for isotopomers of H3.

    PubMed

    Mielke, Steven L; Schwenke, David W; Schatz, George C; Garrett, Bruce C; Peterson, Kirk A

    2009-04-23

    Multireference configuration interaction (MRCI) calculations of the Born-Oppenheimer diagonal correction (BODC) for H(3) were performed at 1397 symmetry-unique configurations using the Handy-Yamaguchi-Schaefer approach; isotopic substitution leads to 4041 symmetry-unique configurations for the DH(2) mass combination. These results were then fit to a functional form that permits calculation of the BODC for any combination of isotopes. Mean unsigned fitting errors on a test grid of configurations not included in the fitting process were 0.14, 0.12, and 0.65 cm(-1) for the H(3), DH(2), and MuH(2) isotopomers, respectively. This representation can be combined with any Born-Oppenheimer potential energy surface (PES) to yield Born-Huang (BH) PESs; herein, we choose the CCI potential energy surface, the uncertainties of which ( approximately 0.01 kcal/mol) are much smaller than the magnitude of the BODC. Fortran routines to evaluate these BH surfaces are provided. Variational transition state theory calculations are presented comparing thermal rate constants for reactions on the BO and BH surfaces to provide an initial estimate of the significance of the diagonal correction for the dynamics. PMID:19290604

  14. Grape Marc Extract-Induced Defense Reactions and Protection against Phytophthora parasitica Are Impaired in NahG Tobacco Plants.

    PubMed

    Benouaret, Razik; Goupil, Pascale

    2015-08-01

    Grape marc extract (GME) acts as an elicitor of plant defense responses. This study analyzed GME-induced plant defense reactions in NahG transgenic tobacco. Leaf infiltration of NahG leaves revealed HR-like reactions with reduced lesions and weak deployment of autofluorescent compounds in the surrounding infiltrated tissues. The β-1,3-glucanase PR2-, endochitinase PR3-, and osmotin PR5-target transcript levels were strongly lowered in NahG leaves, and the mutant failed to accumulate the antimicrobial PR1 transcripts. GME-induced protection against Phytophthora parasitica var. nicotianae (Ppn) was evaluated on tobacco leaves. The antimicrobial properties of GME against Ppn were evidenced using a range of in vitro tests. GME-sprayed wild-type leaves showed reduced infection areas, whereas GME failed to induce a protective effect against Ppn in NahG leaves. The results suggest that GME-induced plant defense reactions in tobacco plants was mediated by salicylic acid (SA) and that GME-induced protection against Ppn could be the combined result of antimicrobial and defense actions.

  15. Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure

    SciTech Connect

    Ludena, E. V.; Echevarria, L.; Lopez, X.; Ugalde, J. M.

    2012-02-28

    We consider the calculation of non-Born-Oppenheimer, nBO, one-particle densities for both electrons and nuclei. We show that the nBO one-particle densities evaluated in terms of translationally invariant coordinates are independent of the wavefunction describing the motion of center of mass of the whole system. We show that they depend, however, on an arbitrary reference point from which the positions of the vectors labeling the particles are determined. We examine the effect that this arbitrary choice has on the topology of the one-particle density by selecting the Hooke-Calogero model of a three-body system for which expressions for the one-particle densities can be readily obtained in analytic form. We extend this analysis to the one-particle densities obtained from full Coulomb interaction wavefunctions for three-body systems. We conclude, in view of the fact that there is a close link between the choice of the reference point and the topology of one-particle densities that the molecular structure inferred from the topology of these densities is not unique. We analyze the behavior of one-particle densities for the Hooke-Calogero Born-Oppenheimer, BO, wavefunction and show that topological transitions are also present in this case for a particular mass value of the light particles even though in the BO regime the nuclear masses are infinite. In this vein, we argue that the change in topology caused by variation of the mass ratio between light and heavy particles does not constitute a true indication in the nBO regime of the emergence of molecular structure.

  16. The paradox of drowned reefs: A Caribbean example mapped using SeaMARC II side-scan sonar

    SciTech Connect

    Grote, D.; Mann, P. )

    1990-05-01

    Three models for the drowning of carbonate platforms and associated fringing coral reefs include (1) rapid submergence below the euphotic zone by tectonic subsidence and sea level rise; (2) excess nutrients in the water; and (3) burial by prograding marine siliclastic sediments. To examine these mechanisms on a regional scale, the authors mapped drowned barrier reef tracts around the active carbonate banks of the Nicaraguan Rise using SeaMARC II sidescan sonar, 3.5 KHz, and digital single channel reflection techniques. The reef tracts exhibited high sonar backscatter and were prominently displayed on sidescan images. Characteristic features of the reef tracts include (1) uneroded and slightly sinuous mounds that crop out on the sea floor and closely following bathymetric contours; (2) reef mounds that typically occur in stairstep sets of two to three terraces; (3) water depths at the crest of the reef mounds that range from 1,050 to 1,500 m; and (4) reef mounds that extend for 1,200 km around the base of the slope (depth 1,300 m) of an active carbonate platform in a moderately active, intraplate setting (Pedro Bank) and along the crest of a submerged fault block in a highly active, interplate setting (Bay Islands Ridge, ridge crest depth at 1,600 m). Because these newly discovered reef tracts have not been dredged, their ages and compositions remain unknown. Based on the observed sea floor outcrop, regional extent, and approximate correlation in water depth of the reef tracts, mechanisms 1 and 2 appear to be the most likely drowning mechanisms.

  17. Volcanic Episodicity and a Non-Steady State Rift Valley Along Northeast Pacific Spreading Centers: Evidence From Sea MARC I

    NASA Astrophysics Data System (ADS)

    Kappel, Ellen S.; Ryan, William B. F.

    1986-12-01

    Sea MARC I side-looking sonar images and Sea Beam bathymetry along a 400-km stretch of the Juan de Fuca Ridge crest provide evidence that excessive extrusive volcanism periodically builds a crestal ridge along the axis of seafloor spreading. An elongate summit depression (ESD), or rift valley, is commonly observed in the spine of this crestal ridge. The crestal ridge volcanic landform has a distinctive shape that is recognized in bathymetric contours both along the spreading axis and at least up to 30 km away from the axis. The landform has a plan-form shape that resembles a side view of an archer's bow with the long dimension of the bow form parallel to the strike of the ridge. In cross section, the bow form is flat on top and has steep flanks. These bow-form shapes can be explained by magma that rises into the crust at a discrete center and flows laterally into belts of ridge-parallel dikes, similar to Icelandic fissure eruptions. Both the variable dimensions of the ESD along axis of the Juan de Fuca Ridge and the relationship among volcanic flow morphologies within and beyond the ESD suggest the four different segments of the Juan de Fuca Ridge presented in detail here display different stages in a cycle of oceanic crust accretion. This cycle includes episodes in which there is (1) extrusive volcanic construction which widen the crestal ridge prior to the collapse of the summit depression, (2) collapse within the summit region of the crestal ridge to form an ESD during a phase of volcanic inactivity, and (3) renewed magmatism in the ESD as its floor widens by extension and brittle fracture of the upper crust. This episodic model implies that the width of the young seafloor affected by volcanic extrusion or dominated by tectonic stretching varies through time.

  18. Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X 1Σ+) → CO2(tilde X{}^1Σ _g^ +)

    NASA Astrophysics Data System (ADS)

    Jasper, Ahren W.; Dawes, Richard

    2013-10-01

    The lowest-energy singlet (1 1A') and two lowest-energy triplet (1 3A' and 1 3A″) electronic states of CO2 are characterized using dynamically weighted multireference configuration interaction (dw-MRCI+Q) electronic structure theory calculations extrapolated to the complete basis set (CBS) limit. Global analytic representations of the dw-MRCI+Q/CBS singlet and triplet surfaces and of their CASSCF/aug-cc-pVQZ spin-orbit coupling surfaces are obtained via the interpolated moving least squares (IMLS) semiautomated surface fitting method. The spin-forbidden kinetics of the title reaction is calculated using the coupled IMLS surfaces and coherent switches with decay of mixing non-Born-Oppenheimer molecular dynamics. The calculated spin-forbidden association rate coefficient (corresponding to the high pressure limit of the rate coefficient) is 7-35 times larger at 1000-5000 K than the rate coefficient used in many detailed chemical models of combustion. A dynamical analysis of the multistate trajectories is presented. The trajectory calculations reveal direct (nonstatistical) and indirect (statistical) spin-forbidden reaction mechanisms and may be used to test the suitability of transition-state-theory-like statistical methods for spin-forbidden kinetics. Specifically, we consider the appropriateness of the "double passage" approximation, of assuming statistical distributions of seam crossings, and of applications of the unified statistical model for spin-forbidden reactions.

  19. Combining Linear-Scaling DFT with Subsystem DFT in Born-Oppenheimer and Ehrenfest Molecular Dynamics Simulations: From Molecules to a Virus in Solution.

    PubMed

    Andermatt, Samuel; Cha, Jinwoong; Schiffmann, Florian; VandeVondele, Joost

    2016-07-12

    In this work, methods for the efficient simulation of large systems embedded in a molecular environment are presented. These methods combine linear-scaling (LS) Kohn-Sham (KS) density functional theory (DFT) with subsystem (SS) DFT. LS DFT is efficient for large subsystems, while SS DFT is linear scaling with a smaller prefactor for large sets of small molecules. The combination of SS and LS, which is an embedding approach, can result in a 10-fold speedup over a pure LS simulation for large systems in aqueous solution. In addition to a ground-state Born-Oppenheimer SS+LS implementation, a time-dependent density functional theory-based Ehrenfest molecular dynamics (EMD) using density matrix propagation is presented that allows for performing nonadiabatic dynamics. Density matrix-based EMD in the SS framework is naturally linear scaling and appears suitable to study the electronic dynamics of molecules in solution. In the LS framework, linear scaling results as long as the density matrix remains sparse during time propagation. However, we generally find a less than exponential decay of the density matrix after a sufficiently long EMD run, preventing LS EMD simulations with arbitrary accuracy. The methods are tested on various systems, including spectroscopy on dyes, the electronic structure of TiO2 nanoparticles, electronic transport in carbon nanotubes, and the satellite tobacco mosaic virus in explicit solution. PMID:27244103

  20. Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectories.

    PubMed

    Herbert, John M; Head-Gordon, Martin

    2004-12-15

    A dynamical extension of the "curvy-steps" approach to linear-scaling self-consistent field calculations is presented, which yields an extended-Lagrangian formulation of ab initio molecular dynamics. An exponential parametrization of the one-electron density matrix, expressed in terms of atom-centered Gaussian basis functions, facilitates propagation along the manifold of density matrices in a geometrically correct fashion that automatically enforces idempotency constraints. The extended Lagrangian itself is constraint free, thus neither density matrix purification nor expensive, iterative solution for Lagrange multipliers is required. Propagation is highly efficient, and time steps compare favorably to those used in Car-Parrinello molecular dynamics simulations. The behavior of the method, especially with regard to the maintenance of adiabatic decoupling of nuclei and electrons, is examined for a sequence of diatomic molecules, and comparison is made to trajectories propagated on the converged Born-Oppenheimer surface. Certain claims to the contrary notwithstanding, our results demonstrate that vibrational frequencies may depend on the value of the fictitious mass parameter, even in an atom-centered basis. Light-atom stretching frequencies can be significantly redshifted, even when the nuclear and electronic energy scales are well separated. With a sufficiently small fictitious mass and a short time step, accurate frequencies can be obtained; we characterize appropriate values of these parameters for a wide range of vibrational frequencies.

  1. Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X(1)Σ+) → CO2(X̃(1)Σg(+)).

    PubMed

    Jasper, Ahren W; Dawes, Richard

    2013-10-21

    The lowest-energy singlet (1 (1)A') and two lowest-energy triplet (1 (3)A' and 1 (3)A") electronic states of CO2 are characterized using dynamically weighted multireference configuration interaction (dw-MRCI+Q) electronic structure theory calculations extrapolated to the complete basis set (CBS) limit. Global analytic representations of the dw-MRCI+Q∕CBS singlet and triplet surfaces and of their CASSCF∕aug-cc-pVQZ spin-orbit coupling surfaces are obtained via the interpolated moving least squares (IMLS) semiautomated surface fitting method. The spin-forbidden kinetics of the title reaction is calculated using the coupled IMLS surfaces and coherent switches with decay of mixing non-Born-Oppenheimer molecular dynamics. The calculated spin-forbidden association rate coefficient (corresponding to the high pressure limit of the rate coefficient) is 7-35 times larger at 1000-5000 K than the rate coefficient used in many detailed chemical models of combustion. A dynamical analysis of the multistate trajectories is presented. The trajectory calculations reveal direct (nonstatistical) and indirect (statistical) spin-forbidden reaction mechanisms and may be used to test the suitability of transition-state-theory-like statistical methods for spin-forbidden kinetics. Specifically, we consider the appropriateness of the "double passage" approximation, of assuming statistical distributions of seam crossings, and of applications of the unified statistical model for spin-forbidden reactions.

  2. Bad-good constraints on a polarity correspondence account for the spatial-numerical association of response codes (SNARC) and markedness association of response codes (MARC) effects.

    PubMed

    Leth-Steensen, Craig; Citta, Richie

    2016-01-01

    Performance in numerical classification tasks involving either parity or magnitude judgements is quicker when small numbers are mapped onto a left-sided response and large numbers onto a right-sided response than for the opposite mapping (i.e., the spatial-numerical association of response codes or SNARC effect). Recent research by Gevers et al. [Gevers, W., Santens, S., Dhooge, E., Chen, Q., Van den Bossche, L., Fias, W., & Verguts, T. (2010). Verbal-spatial and visuospatial coding of number-space interactions. Journal of Experimental Psychology: General, 139, 180-190] suggests that this effect also arises for vocal "left" and "right" responding, indicating that verbal-spatial coding has a role to play in determining it. Another presumably verbal-based, spatial-numerical mapping phenomenon is the linguistic markedness association of response codes (MARC) effect whereby responding in parity tasks is quicker when odd numbers are mapped onto left-sided responses and even numbers onto right-sided responses. A recent account of both the SNARC and MARC effects is based on the polarity correspondence principle [Proctor, R. W., & Cho, Y. S. (2006). Polarity correspondence: A general principle for performance of speeded binary classification tasks. Psychological Bulletin, 132, 416-442]. This account assumes that stimulus and response alternatives are coded along any number of dimensions in terms of - and + polarities with quicker responding when the polarity codes for the stimulus and the response correspond. In the present study, even-odd parity judgements were made using either "left" and "right" or "bad" and "good" vocal responses. Results indicated that a SNARC effect was indeed present for the former type of vocal responding, providing further evidence for the sufficiency of the verbal-spatial coding account for this effect. However, the decided lack of an analogous SNARC-like effect in the results for the latter type of vocal responding provides an important

  3. Comparative study on the hypoglycemic and antioxidative effects of fermented paste (doenjang) prepared from soybean and brown rice mixed with rice bran or red ginseng marc in mice fed with high fat diet.

    PubMed

    Chung, Soo Im; Rico, Catherine W; Kang, Mi Young

    2014-10-22

    The effects of fermented paste made from soybean, brown rice, or brown rice in combination with rice bran or red ginseng marc on the glucose metabolism and antioxidative defense system in high fat-fed mice were investigated. The mice were given experimental diets for eight weeks: Normal control, high fat, and high fat supplemented with soybean fermented paste, brown rice fermented paste, brown rice-rice bran fermented paste, or brown rice-red ginseng marc fermented paste. The high fat group showed markedly higher blood glucose level and erythrocyte lipid peroxidation than the normal control group. Diet supplementation of fermented paste inhibited the high fat-induced hyperglycemia and oxidative stress via regulation of the glucose-regulating and antioxidant enzymes activities. The soybean and brown rice-red ginseng marc fermented pastes were the most effective in improving the glucose metabolism and antioxidant defense status in mice under high fat diet condition. These findings illustrate that brown rice, in combination with red ginseng marc, may be useful in the development of fermented paste with strong hypoglycemic and antioxidative activities.

  4. Comparative Study on the Hypoglycemic and Antioxidative Effects of Fermented Paste (Doenjang) Prepared from Soybean and Brown Rice Mixed with Rice Bran or Red Ginseng Marc in Mice Fed with High Fat Diet

    PubMed Central

    Chung, Soo Im; Rico, Catherine W.; Kang, Mi Young

    2014-01-01

    The effects of fermented paste made from soybean, brown rice, or brown rice in combination with rice bran or red ginseng marc on the glucose metabolism and antioxidative defense system in high fat-fed mice were investigated. The mice were given experimental diets for eight weeks: Normal control, high fat, and high fat supplemented with soybean fermented paste, brown rice fermented paste, brown rice-rice bran fermented paste, or brown rice-red ginseng marc fermented paste. The high fat group showed markedly higher blood glucose level and erythrocyte lipid peroxidation than the normal control group. Diet supplementation of fermented paste inhibited the high fat-induced hyperglycemia and oxidative stress via regulation of the glucose-regulating and antioxidant enzymes activities. The soybean and brown rice-red ginseng marc fermented pastes were the most effective in improving the glucose metabolism and antioxidant defense status in mice under high fat diet condition. These findings illustrate that brown rice, in combination with red ginseng marc, may be useful in the development of fermented paste with strong hypoglycemic and antioxidative activities. PMID:25340370

  5. Content changes of bitter compounds in 'Guoqing No.1' Satsuma mandarin (Citrus unshiu Marc.) during fruit development of consecutive 3 seasons.

    PubMed

    Li, Shaojie; Wang, Zhuang; Ding, Fan; Sun, Da; Ma, Zhaocheng; Cheng, Yunjiang; Xu, Juan

    2014-02-15

    The main bitter compounds (nomilin, limonin and naringin) in the fruit tissues of 'Guoqing No.1' Satsuma mandarin (Citrus unshiu Marc.) were determined throughout the fruit development of 3 consecutive growing seasons. Although fluctuating largely at the corresponding developing stages of the 3 years, the contents of these compounds in fruit tissues mostly displayed a declining trend, which implied that the rhythm of the metabolism of these bitter compounds was not consistent among years and was largely growing season dependent. Regarding their distribution, fruit flavedo might be a weak sink that contained the lowest level of naringin, while the segment membrane accumulated large amount of limonin and nomilin, which indicated a possible tissue bias pattern for biosynthesis or accumulation of those compounds. Partial correlation coefficient analysis revealed a synergistic accumulation of naringin and the two limonoid aglycones in fruit tissues during fruit development, indicating an integrated metabolism of flavonoids and limonoids.

  6. Joint M3 and Diviner Analysis of the Mineralogy, Glass Composition, and Country Rock Content of Pyroclastic Deposits in Oppenheimer Crater

    NASA Technical Reports Server (NTRS)

    Bennett, Kristen A.; Horgan, Briony H. N.; Greenhagen, Benjamin T.; Allen, Carlton C.; Paige, David A.; Bell, James F., III

    2013-01-01

    Here we present our analysis of the near- and mid-infrared spectral properties of pyroclastic deposits within the floor fractured Oppenheimer Crater that are hypothesized to be Vulcanian in origin. These are the first results of our global study of lunar pyroclastic deposits aimed at constraining the range of eruption processes on the Moon. In the near-infrared, we have employed a new method of spectral analysis developed in Horgan et al. (2013) of the 1 ?m iron absorption band in Chandrayaan-1 Moon Mineralogy Mapper (M3) spectra. By analyzing both the position and shape of the 1 ?m band we can detect and map the distribution of minerals, glasses, and mixtures of these phases in pyroclastic deposits. We are also using mid-infrared spectra from the Lunar Reconnaissance Orbiter Diviner Lunar Radiometer Experiment to develop 200 m/pixel Christiansen Feature (CF) maps, which correlate with silica abundance. One of the benefits of using CF maps for analysis of pyroclastic deposits is that they can be used to detect silicic country rock that may have been emplaced by Vulcanian-style eruptions, and are sensitive to iron abundance in glasses, neither of which is possible in the near-infrared. M3 analysis reveals that the primary spectral endmembers are low-calcium pyroxene and iron-bearing glass, with only minor high-calcium pyroxene, and no detectable olivine. The large deposit in the south shows higher and more extensive glass concentrations than the surrounding deposits. We interpret the M3 spectra of the pyroclastic deposits as indicating a mixture of low-calcium pyroxene country rock and juvenile glass, and no significant olivine. Analysis of Diviner CF maps of the Oppenheimer crater floor indicates an average CF value of 8.16, consistent with a mixture of primarily plagioclase and some pyroxene. The average CF values of the pyroclastic deposits range from 8.31 in the SW to 8.24 in the SE. Since CF values within the deposits are as high as 8.49, the lower average CF

  7. Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born-Oppenheimer Molecular Dynamics for OH + HBr.

    PubMed

    Coutinho, Nayara D; Aquilanti, Vincenzo; Silva, Valter H C; Camargo, Ademir J; Mundim, Kleber C; de Oliveira, Heibbe C B

    2016-07-14

    Among four-atom processes, the reaction OH + HBr → H2O + Br is one of the most studied experimentally: its kinetics has manifested an unusual anti-Arrhenius behavior, namely, a marked decrease of the rate constant as the temperature increases, which has intrigued theoreticians for a long time. Recently, salient features of the potential energy surface have been characterized and most kinetic aspects can be considered as satisfactorily reproduced by classical trajectory simulations. Motivation of the work reported in this paper is the investigation of the stereodirectional dynamics of this reaction as the prominent reason for the peculiar kinetics: we started in a previous Letter ( J. Phys. Chem. Lett. 2015 , 6 , 1553 - 1558 ) a first-principles Born-Oppenheimer "canonical" molecular dynamics approach. Trajectories are step-by-step generated on a potential energy surface quantum mechanically calculated on-the-fly and are thermostatically equilibrated to correspond to a specific temperature. Here, refinements of the method permitted a major increase of the number of trajectories and the consideration of four temperatures -50, +200, +350, and +500 K, for which the sampling of initial conditions allowed us to characterize the stereodynamical effect. The role is documented of the adjustment of the reactants' mutual orientation to encounter the entrance into the "cone of acceptance" for reactivity. The aperture angle of this cone is dictated by a range of directions of approach compatible with the formation of the specific HOH angle of the product water molecule; and consistently the adjustment is progressively less effective the higher the kinetic energy. Qualitatively, this emerging picture corroborates experiments on this reaction, involving collisions of aligned and oriented molecular beams, and covering a range of energies higher than the thermal ones. The extraction of thermal rate constants from this molecular dynamics approach is discussed and the systematic

  8. Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born-Oppenheimer Molecular Dynamics for OH + HBr.

    PubMed

    Coutinho, Nayara D; Aquilanti, Vincenzo; Silva, Valter H C; Camargo, Ademir J; Mundim, Kleber C; de Oliveira, Heibbe C B

    2016-07-14

    Among four-atom processes, the reaction OH + HBr → H2O + Br is one of the most studied experimentally: its kinetics has manifested an unusual anti-Arrhenius behavior, namely, a marked decrease of the rate constant as the temperature increases, which has intrigued theoreticians for a long time. Recently, salient features of the potential energy surface have been characterized and most kinetic aspects can be considered as satisfactorily reproduced by classical trajectory simulations. Motivation of the work reported in this paper is the investigation of the stereodirectional dynamics of this reaction as the prominent reason for the peculiar kinetics: we started in a previous Letter ( J. Phys. Chem. Lett. 2015 , 6 , 1553 - 1558 ) a first-principles Born-Oppenheimer "canonical" molecular dynamics approach. Trajectories are step-by-step generated on a potential energy surface quantum mechanically calculated on-the-fly and are thermostatically equilibrated to correspond to a specific temperature. Here, refinements of the method permitted a major increase of the number of trajectories and the consideration of four temperatures -50, +200, +350, and +500 K, for which the sampling of initial conditions allowed us to characterize the stereodynamical effect. The role is documented of the adjustment of the reactants' mutual orientation to encounter the entrance into the "cone of acceptance" for reactivity. The aperture angle of this cone is dictated by a range of directions of approach compatible with the formation of the specific HOH angle of the product water molecule; and consistently the adjustment is progressively less effective the higher the kinetic energy. Qualitatively, this emerging picture corroborates experiments on this reaction, involving collisions of aligned and oriented molecular beams, and covering a range of energies higher than the thermal ones. The extraction of thermal rate constants from this molecular dynamics approach is discussed and the systematic

  9. Direct non-Born-Oppenheimer variational calculations of all bound vibrational states corresponding to the first rotational excitation of D{sub 2} performed with explicitly correlated all-particle Gaussian functions

    SciTech Connect

    Sharkey, Keeper L.; Kirnosov, Nikita; Adamowicz, Ludwik

    2015-05-07

    Direct variational calculations where the Born-Oppenheimer approximation is not assumed are done for all rovibrational states of the D{sub 2} molecule corresponding to first excited rotational level (the N = 1 states). All-particle explicitly correlated Gaussian basis functions are used in the calculations. The exponential parameters of the Gaussians are optimized with the aid of analytically calculated energy gradient determined with respect to these parameters. The results allow to determine the ortho-para spin isomerization energies as a function of the vibrational quantum number.

  10. Mixed-Valence Molecular Unit for Quantum Cellular Automata: Beyond the Born-Oppenheimer Paradigm through the Symmetry-Assisted Vibronic Approach.

    PubMed

    Clemente-Juan, Juan Modesto; Palii, Andrew; Coronado, Eugenio; Tsukerblat, Boris

    2016-08-01

    In this article, we focus on the electron-vibrational problem of the tetrameric mixed-valence (MV) complexes proposed for implementation as four-dot molecular quantum cellular automata (mQCA).1 Although the adiabatic approximation explored in ref 2 is an appropriate tool for the qualitative analysis of the basic characteristics of mQCA, like vibronic trapping of the electrons encoding binary information and cell-cell response, it loses its accuracy providing moderate vibronic coupling and fails in the description of the discrete pattern of the vibronic levels. Therefore, a precise solution of the quantum-mechanical vibronic problem is of primary importance for the evaluation of the shapes of the electron transfer optical absorption bands and quantitative analysis of the main parameters of tetrameric quantum cells. Here, we go beyond the Born-Oppenheimer paradigm and present a solution of the quantum-mechanical pseudo Jahn-Teller (JT) vibronic problem in bielectronic MV species (exemplified by the tetra-ruthenium complexes) based on the recently developed symmetry-assisted approach.3,4 The mathematical approach to the vibronic eigenproblem takes into consideration the point symmetry basis, and therefore, the total matrix of the JT Hamiltonian is blocked to the maximum extent. The submatrices correspond to the irreducible representations (irreps) of the point group. With this tool, we also extend the theory of the mQCA cell beyond the limit of prevailing Coulomb repulsion in the electronic pair (adopted in ref 2), and therefore, the general pseudo-JT problems for spin-singlet ((1)B1g, 2(1)A1g, (1)B2g, (1)Eu) ⊗ (b1g + eu) and spin-triplet states ((3)A2g, (3)B1g, 2(3)Eu) ⊗ (b1g + eu) in a square-planar bielectronic system are solved. The obtained symmetry-adapted electron-vibrational functions are employed for the calculation of the profiles (shape functions) of the charge transfer absorption bands in the tetrameric MV complexes and for the discussion of the

  11. Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics of O((3)P) + H2(+)(X(2)Σg(+)) collisions.

    PubMed

    Gamallo, Pablo; Defazio, Paolo; González, Miguel; Paniagua, Miguel; Petrongolo, Carlo

    2015-09-28

    We present Born-Oppenheimer (BO) and Renner-Teller (RT) time dependent quantum dynamics studies of the reactions O((3)P) + H2(+)(X(2)Σg(+)) → OH(+)(X(3)Σ(-)) + H((2)S) and OH(X(2)Π) + H(+). We consider the OH2(+) X[combining tilde](2)A'' and Ã(2)A' electronic states that correlate with a linear (2)Π species. The electronic angular momenta operators L[combining circumflex] and L[combining circumflex](2) are considered in nonadiabatic coupled-channel calculations, where the associated RT effects are due to diagonal V(RT) potentials that add up to the PESs and to off-diagonal C(RT) couplings between the potential energy surfaces (PESs). Initial-state-resolved reaction probabilities PI, integral cross sections σI, and rate constants kI are obtained using recent ab initio PESs and couplings and the real wavepacket formalism. Because the PESs are strongly attractive, PI have no threshold energy and are large, σI decrease with collision energy, and kI depend little on the temperature. The X[combining tilde](2)A'' PES is up to three times more reactive than the Ã(2)A' PES and H2(+) rotational effects (j0 = 0, 1) are negligible. The diagonal V(RT) potentials are strongly repulsive at the collinearity and nearly halve all low-energy observables with respect to the BO ones. The off-diagonal C(RT) couplings are important at low partial waves, where they mix the X[combining tilde](2)A'' and Ã(2)A' states up to ∼20%. However, V(RT) effects predominate over the C(RT) ones that change at most by ∼19% the BO values of σI and kI. The reaction O((3)P) + H2(+)(X(2)Σg(+)) → OH(+)(X(3)Σ(-)) + H((2)S) is probably one of the most reactive atom + diatom collisions because its RT rate constant at room temperature is equal to 2.26 × 10(-10) cm(3) s(-1). Within the BO approximation, the present results agree rather well with recent quasiclassical and centrifugal-sudden data using the same PESs.

  12. Exploring grape marc as trove for new thermotolerant and inhibitor-tolerant Saccharomyces cerevisiae strains for second-generation bioethanol production

    PubMed Central

    2013-01-01

    Background Robust yeasts with high inhibitor, temperature, and osmotic tolerance remain a crucial requirement for the sustainable production of lignocellulosic bioethanol. These stress factors are known to severely hinder culture growth and fermentation performance. Results Grape marc was selected as an extreme environment to search for innately robust yeasts because of its limited nutrients, exposure to solar radiation, temperature fluctuations, weak acid and ethanol content. Forty newly isolated Saccharomyces cerevisiae strains gave high ethanol yields at 40°C when inoculated in minimal media at high sugar concentrations of up to 200 g/l glucose. In addition, the isolates displayed distinct inhibitor tolerance in defined broth supplemented with increasing levels of single inhibitors or with a cocktail containing several inhibitory compounds. Both the fermentation ability and inhibitor resistance of these strains were greater than those of established industrial and commercial S. cerevisiae yeasts used as control strains in this study. Liquor from steam-pretreated sugarcane bagasse was used as a key selective condition during the isolation of robust yeasts for industrial ethanol production, thus simulating the industrial environment. The isolate Fm17 produced the highest ethanol concentration (43.4 g/l) from the hydrolysate, despite relatively high concentrations of weak acids, furans, and phenolics. This strain also exhibited a significantly greater conversion rate of inhibitory furaldehydes compared with the reference strain S. cerevisiae 27P. To our knowledge, this is the first report describing a strain of S. cerevisiae able to produce an ethanol yield equal to 89% of theoretical maximum yield in the presence of high concentrations of inhibitors from sugarcane bagasse. Conclusions This study showed that yeasts with high tolerance to multiple stress factors can be obtained from unconventional ecological niches. Grape marc appeared to be an unexplored and

  13. The N-Reductive System Composed of Mitochondrial Amidoxime Reducing Component (mARC), Cytochrome b5 (CYB5B) and Cytochrome b5 Reductase (CYB5R) Is Regulated by Fasting and High Fat Diet in Mice

    PubMed Central

    Jakobs, Heyka H.; Mikula, Michal; Havemeyer, Antje; Strzalkowska, Adriana; Borowa-Chmielak, Monika; Dzwonek, Artur; Gajewska, Marta; Hennig, Ewa E.; Ostrowski, Jerzy; Clement, Bernd

    2014-01-01

    The mitochondrial amidoxime reducing component mARC is the fourth mammalian molybdenum enzyme. The protein is capable of reducing N-oxygenated structures, but requires cytochrome b5 and cytochrome b5 reductase for electron transfer to catalyze such reactions. It is well accepted that the enzyme is involved in N-reductive drug metabolism such as the activation of amidoxime prodrugs. However, the endogenous function of the protein is not fully understood. Among other functions, an involvement in lipogenesis is discussed. To study the potential involvement of the protein in energy metabolism, we tested whether the mARC protein and its partners are regulated due to fasting and high fat diet in mice. We used qRT-PCR for expression studies, Western Blot analysis to study protein levels and an N-reductive biotransformation assay to gain activity data. Indeed all proteins of the N-reductive system are regulated by fasting and its activity decreases. To study the potential impact of these changes on prodrug activation in vivo, another mice experiment was conducted. Model compound benzamidoxime was injected to mice that underwent fasting and the resulting metabolite of the N-reductive reaction, benzamidine, was determined. Albeit altered in vitro activity, no changes in the metabolite concentration in vivo were detectable and we can dispel concerns that fasting alters prodrug activation in animal models. With respect to high fat diet, changes in the mARC proteins occur that result in increased N-reductive activity. With this study we provide further evidence that the endogenous function of the mARC protein is linked with lipid metabolism. PMID:25144769

  14. Born-Oppenheimer and Renner-Teller Quantum Dynamics of CH(X(2)Π) + D((2)S) Reactions on Three CHD Potential Surfaces.

    PubMed

    Gamallo, Pablo; Akpinar, Sinan; Defazio, Paolo; Petrongolo, Carlo

    2015-11-19

    The quantum dynamics of three CH(X(2)Π) + D((2)S) reactions is studied by means of the coupled-channel time-dependent real-wavepacket (WP) and flux methods at collision energy Ecol ≤ 0.6 eV and on three potential energy surfaces (PESs): the Born-Oppenheimer (BO) ground PES X̃(3)A″ and the excited ones ã(1)A' and b̃(1)A″, coupled by nonadiabatic (NA) Renner-Teller (RT) effects. This three-state model is suitable for obtaining initial-state-resolved observables, is based on a complete analysis of the correlation diagram of the lowest electronic states of the CHD intermediate and of their NA interactions, and neglects the smaller coupling effects due to the asymptotic electronic angular momenta that become important in state-to-state dynamics. WPs are propagated on each PES at total angular momentum values J ≤ 70, with CH in the two lowest vibrational states v0 and in the ground rotational state j0 = 1. Reaction probabilities are obtained for three possible final products (f): (dP) CH decay and C((3)P) + HD(X(1)Σ(+)) formation that occurs on the uncoupled ground PES, (dD) CH decay and C((1)D) + HD(X(1)Σ(+)) formation that depends on the RT-coupled singlet species, and (ex) exchange to CD(X(2)Π) + H((2)S) available adiabatically from the X̃(3)A″ PES and nonadiabatically from ã(1)A' and b̃(1)A″. Observable cross sections σf,v0j0 and rate constants kf,v0j0 in the temperature range T = 100-2000 K are obtained for (dP), (dD), and (ex) channels. Comparing BO with RT probabilities, we show that NA effects are important at high J values for the (ex) channel at v0 = 1. Real time mechanisms on the three PESs show that RT couplings are opened after some time and clearly point out the formation of the product channels. Both cross sections and rate constants present the same sequence, for example σex,11 > σdP,01 ∼ σex,01 > σdP,11 ≫ σdD,11 ≫ σdD,01, and the CH vibrational excitation enhances the total removal CH+D reactivity by a factor of ∼1

  15. The East Pacific Rise and its flanks 8 18° N: History of segmentation, propagation and spreading direction based on SeaMARC II and Sea Beam studies

    NASA Astrophysics Data System (ADS)

    MacDonald, Ken C.; Fox, Paul J.; Miller, Steve; Carbotte, Suzanne; Edwards, Margo H.; Eisen, Mark; Fornari, Daniel J.; Perram, Laura; Pockalny, Rob; Scheirer, Dan; Tighe, Stacey; Weiland, Charles; Wilson, Doug

    1992-12-01

    SeaMARC II and Sea Beam bathymetric data are combined to create a chart of the East Pacific Rise (EPR) from 8°N to 18°N reaching at least 1 Ma onto the rise flanks in most places. Based on these data as well as SeaMARC II side scan sonar mosaics we offer the following observations and conclusions. The EPR is segmented by ridge axis discontinuities such that the average segment lengths in the area are 360 km for first-order segments, 140 km for second-order segments, 52 km for third-order segments, and 13 km for fourth-order segments. All three first-order discontinuities are transform faults. Where the rise axis is a bathymetric high, second-order discontinuities are overlapping spreading centers (OSCs), usually with a distinctive 3:1 overlap to offset ratio. The off-axis discordant zones created by the OSCs are V-shaped in plan view indicating along axis migration at rates of 40 100 mm yr-1. The discordant zones consist of discrete abandoned ridge tips and overlap basins within a broad wake of anomalously deep bathymetry and high crustal magnetization. The discordant zones indicate that OSCs have commenced at different times and have migrated in different directions. This rules out any linkage between OSCs and a hot spot reference frame. The spacing of abandoned ridges indicates a recurrence interval for ridge abandonment of 20,000 200,000 yrs for OSCs with an average interval of approximately 100,000 yrs. Where the rise axis is a bathymetric low, the only second-order discontinuity mapped is a right-stepping jog in the axial rift valley. The discordant zone consists of a V-shaped wake of elongated deeps and interlocking ridges, similar to the wakes of second-order discontinuities on slow-spreading ridges. At the second-order segment level, long segments tend to lengthen at the expense of neighboring shorter segments. This can be understood if segments can be approximated by cracks, because the propagation force at a crack tip is directly proportional to crack

  16. Effect of different postharvest temperatures on the accumulation of sugars, organic acids, and amino acids in the juice sacs of Satsuma mandarin (Citrus unshiu Marc.) fruit.

    PubMed

    Matsumoto, Hikaru; Ikoma, Yoshinori

    2012-10-01

    To elucidate the effect of different postharvest temperatures on the accumulation of sugars, organic acids, and amino acids and to determine the best temperature to minimize their postharvest change, their content after harvest was investigated at 5, 10, 20, and 30 °C for 14 days in the juice sacs of Satsuma mandarin (Citrus unshiu Marc. cv. Aoshima-unshiu) fruit. In all sugars, the changes were negligible at all temperatures. Organic acids decreased slightly at all temperatures, with the exception of malic acid at 30 °C, which increased slightly. Two amino acids, ornithine and glutamine, increased at 5 °C, but they did not increase at other temperatures. In 11 amino acids (phenylalanine, tryptophan, tyrosine, isoleucine, leucine, valine, threonine, lysine, methionine, histidine, and γ-amino butyric acid), the content was higher at 20 and 30 °C than at other temperatures. Thus, the content of amino acids was more variable than that of sugars and organic acids in response to temperatures. Moreover, amino acids responded to temperature differently: two amino acids were cold responsive, and 11 were heat-responsive. The best temperature to minimize the postharvest changes in amino acid profiles in the juice sacs of Aoshima-unshiu was 10 °C. The responsiveness to temperatures in two cold-responsive (ornithine and glutamine) and five heat-responsive (phenylalanine, tryptophan, valine, lysine, and histidine) amino acids was conserved among three different Satsuma mandarin cultivars, Aoshima-unshiu (late-maturing cultivar), Silverhill (midmaturing cultivar), and Miyagawa-wase (early-maturing cultivar). The metabolic responsiveness to temperature stress was discussed on the basis of the changes in the amino acid profile.

  17. Ortho-para nuclear-spin isomerization energies for all bound vibrational states of ditritium (T2) from non-Born-Oppenheimer variational calculations performed with explicitly correlated all-particle Gaussian functions

    NASA Astrophysics Data System (ADS)

    Kirnosov, Nikita; Sharkey, Keeper L.; Adamowicz, Ludwik

    2015-11-01

    Direct variational calculations, where the Born-Oppenheimer (BO) approximation is not assumed, are performed for all 26 bound rovibrational states corresponding to the lowest rotational excitation (i.e. the N = 1 states) of the tritium molecule (T2). The non-BO energies are used to determine the ortho-para isomerization energies. All-particle explicitly correlated Gaussian basis functions are employed in the calculations and over 11 000 Gaussians independently generated for each state are used. The exponential parameters of the Gaussians are optimized with the aid of analytically calculated energy gradient determined with respect to these parameters. The non-BO wave functions are used to calculate expectation values of the inter-particle distances and the triton-triton correlation functions.

  18. Structural evolution of the East Pacific Rise axis from 13°10'N to 10°35'N: interpretations from SeaMARC I data

    NASA Astrophysics Data System (ADS)

    Crane, Kathleen

    1987-05-01

    In 1983 the SeaMARC I and the Sea Beam systems imaged the East Pacific Rise (EPR) and the Clipperton Transform Fault from 13°10'N to 9°50'N revealing both magmatic and tectonic segmentation along the rise axis. Tectonic segments are defined by an undulating axial zone of extension which widens and narrows at an average wavelength of 45 km. In addition, axial fissure-fault-density and -length curves reveal wavelengths of 30 and 56 km. The narrowest axial zones, < 0.5 km in width, correspond to regions of hydrothermal activity and are located atop regional morphologic highs quasi-harmonically spaced at 155 km. These highs define the major magma centers on the rise axis about which seamounts cluster. Superimposed on the intermediate-wavelength highs are smaller highs (from 10 to 50 km in length) which are truncated by overlapping spreading centers (OSC's) at their distal edges. The rise axis widens near OSC's while it narrows and disappears near the Clipperton Transform Fault suggesting that transforms and OSC's have different origins. Imagery on and adjacent to a few OSC's reveals that in some cases OSC's migrate along the axis forming relict off-axial structural traces at oblique angles (285°-330°) to the axis. Off-axial fault density and length curves have wavelengths similar to the axial curves. However, fault densities to the west of the axis are somewhat antisymmetric to fissure-fault densities on the axis. In contrast, faults to the east of the axis nearly mimic fissure-fault density and length curves on the axis suggesting that the fracture pattern is controlled by the state of deviatoric stress in the adjacent Cocos Plate to the east. The data suggest that large deep-seated magma diapirs may dominate the magmatic segmentation of the EPR generating dynamically supported 155 km wavelength highs. Smaller, shallower magma cupulas may rise as fingers to the seafloor above the large diapirs. Where the magma erupts may be a factor of the thin skin tectonic

  19. Marshall Amateur Club experiment (MARCE)

    NASA Technical Reports Server (NTRS)

    Stluka, E. F.

    1984-01-01

    The integration of the Get Away Special (GAS) payload for the space shuttle is discussed in terms of systems design. In addition to the primary power, control, and distribution networks to electrically integrate the spaceborne experiments, an instrument measuring system, a data system, and a radio frequency downlink system were designed. A brief review of these systems is given.

  20. Accurate, Analytic, Empirical Potentials and Born-Oppenheimer Breakdown Functions for the X(1^1Σ)-STATES of BeH, BeD, and BeT

    NASA Astrophysics Data System (ADS)

    Dattani, Nikesh S.; Welsh, Staszek

    2014-06-01

    Being the simplest neutral open shell molecule, BeH is a very important benchmark system for ab initio calculations. However, the most accurate empirical potentials and Born-Oppenheimer breakdown (BOB) functions for this system are nearly a decade old and are not reliable in the long-range region. Particularly, the uncertainties in their dissociation energies were about ±200 cm-1, and even the number of vibrational levels predicted was at the time very questionable, meaning that no good benchmark exists for ab initio calculations on neutral open shell molecules. We build new empirical potentials for BeH, BeD, and BeT that are much more reliable in the long-range. Being the second lightest heteronuclear molecule with a stable ground electronic state, BeH is also very important for the study of isotope effects, such as BOB. We extensively study isotope effects in this system, and we show that the empirical BOB functions fitted from the data of any two isotopologues, is sufficient to predict crucial properties of the third isotopologue.

  1. The Marc Dax (1770-1837)/Paul Broca (1824-1880) controversy over priority in science: left hemisphere specificity for seat of articulate language and for lesions that cause aphemia.

    PubMed

    Buckingham, Hugh W

    2006-01-01

    One of the most fascinating and frustrating issues in the priority of discovery in science is over just who, for the first time, went on record in the public forum, either orally at a conference or through a published communication, proclaiming that the faculty of articulate human speech was located in the left, not the right, cortical hemisphere. The disputed paper was purportedly written in 1836 by Marc Dax, who died subsequently in 1837. He was a physician in southern France in the city of Montpellier--far from the medical center of Paris. Little note was made of the presumed paper until the early and mid-1860s, when the issue of language localization in the human brain took on increased activity, as the clinico-pathological method of explanation continued to flourish in the "Art of Physick." Marc Dax's son, Gustave, happened to be studying medicine in Paris in the 1860s, and, as most of the neuroscientific and anthropological researchers, came to know of Broca's published work, which in 1861, agreed with phrenological theory that this faculty was, indeed, in the anterior lobes, but further claimed, de novo, that the region in the anterior lobe was more precisely focused at the foot of the 3rd frontal convolution in that lobe, still assuming with phrenological theory and the "Law of Symmetry" that the faculty was bilaterally located. It was not until 1865 that Broca clearly, non-hesitatingly, and unambiguously claimed that the faculty was in the left hemisphere. As it turned out, Gustave, six weeks before Broca's paper appeared, had published the paper he said his father had written in 1836. In 1863, in fact, Gustave had submitted his (Gustave's) long monograph on aphemia, integrating what he claimed to be his father's 1836 pronouncement along with his own data. He sent this communication to the French Academy of Sciences and to the French Academy of Medicine; he heard nothing back from either academy. After waiting two years, he managed to publish his material

  2. Characterization of three linalool synthase genes from Citrus unshiu Marc. and analysis of linalool-mediated resistance against Xanthomonas citri subsp. citri and Penicilium italicum in citrus leaves and fruits.

    PubMed

    Shimada, Takehiko; Endo, Tomoko; Fujii, Hiroshi; Rodríguez, Ana; Peña, Leandro; Omura, Mitsuo

    2014-12-01

    Three cDNA clones from Satsuma mandarin (Citrus unshiu Marc.) were isolated and expressed in Escherichia coli. CuSTS3-1 and CuSTS3-2 encode linalool synthases and CuSTS4 encodes a nerolidol/linalool synthase. Transcripts of CuSTS3-1, CuSTS3-2 and CuSTS4 were abundant in young fruit at 60 days after flowering (DAF), flowers and leaves, respectively. Treatments with Xanthomonas citri subsp. citri (XCC), the causal agent of citrus canker and Penicillium italicum (PI), the cause of post-harvest fruit decay, and wounding up-regulated CuSTS3-1 in fruit and mainly CuSTS4 in leaves. Linalool, citral, geraniol and citronellol showed strong antibacterial and antifungal activities against XCC and PI in vitro, while most other mono-and sesquiterpenes, including limonene and gamma-terpinene, did not. Linalool, used at levels similar to those present in resistant Ponkan mandarin (Citrus reticulata Blanco) leaves, was able to inhibit growth of XCC in vitro. Compared to other five citrus types, linalool accumulated at extraordinarily high levels in Ponkan mandarin leaves and was released at high amounts from their leaves, while it was hardly detectable in the most susceptible species, indicating that linalool biosynthesis and accumulation might be involved in plant defense against bacterial and fungal pathogens and be associated with field resistance to citrus canker.

  3. Characterization of three linalool synthase genes from Citrus unshiu Marc. and analysis of linalool-mediated resistance against Xanthomonas citri subsp. citri and Penicilium italicum in citrus leaves and fruits.

    PubMed

    Shimada, Takehiko; Endo, Tomoko; Fujii, Hiroshi; Rodríguez, Ana; Peña, Leandro; Omura, Mitsuo

    2014-12-01

    Three cDNA clones from Satsuma mandarin (Citrus unshiu Marc.) were isolated and expressed in Escherichia coli. CuSTS3-1 and CuSTS3-2 encode linalool synthases and CuSTS4 encodes a nerolidol/linalool synthase. Transcripts of CuSTS3-1, CuSTS3-2 and CuSTS4 were abundant in young fruit at 60 days after flowering (DAF), flowers and leaves, respectively. Treatments with Xanthomonas citri subsp. citri (XCC), the causal agent of citrus canker and Penicillium italicum (PI), the cause of post-harvest fruit decay, and wounding up-regulated CuSTS3-1 in fruit and mainly CuSTS4 in leaves. Linalool, citral, geraniol and citronellol showed strong antibacterial and antifungal activities against XCC and PI in vitro, while most other mono-and sesquiterpenes, including limonene and gamma-terpinene, did not. Linalool, used at levels similar to those present in resistant Ponkan mandarin (Citrus reticulata Blanco) leaves, was able to inhibit growth of XCC in vitro. Compared to other five citrus types, linalool accumulated at extraordinarily high levels in Ponkan mandarin leaves and was released at high amounts from their leaves, while it was hardly detectable in the most susceptible species, indicating that linalool biosynthesis and accumulation might be involved in plant defense against bacterial and fungal pathogens and be associated with field resistance to citrus canker. PMID:25443842

  4. Oppenheimer, Julius Robert (1904-67)

    NASA Astrophysics Data System (ADS)

    Murdin, P.

    2000-11-01

    Nuclear physicist, born in New York City, joined the Manhattan Project and directed the Los Alamos Laboratory, where he became known as the `father of the atomic bomb'. He directed the Institute for Advanced Studies, Princeton, NJ. He worked on cosmic rays and calculated theoretically the structure of neutron stars, remarking that it seemed unlikely that they existed. Neutron stars were discovere...

  5. Digital Libraries and the Problem of Purpose [and] On DigiPaper and the Dissemination of Electronic Documents [and] DFAS: The Distributed Finding Aid Search System [and] Best Practices for Digital Archiving: An Information Life Cycle Approach [and] Mapping and Converting Essential Federal Geographic Data Committee (FGDC) Metadata into MARC21 and Dublin Core: Towards an Alternative to the FGDC Clearinghouse [and] Evaluating Website Modifications at the National Library of Medicine through Search Log analysis.

    ERIC Educational Resources Information Center

    Levy, David M.; Huttenlocher, Dan; Moll, Angela; Smith, MacKenzie; Hodge, Gail M.; Chandler, Adam; Foley, Dan; Hafez, Alaaeldin M.; Redalen, Aaron; Miller, Naomi

    2000-01-01

    Includes six articles focusing on the purpose of digital public libraries; encoding electronic documents through compression techniques; a distributed finding aid server; digital archiving practices in the framework of information life cycle management; converting metadata into MARC format and Dublin Core formats; and evaluating Web sites through…

  6. Deviations from Born-Oppenheimer theory in structural chemistry: Jahn-Teller, pseudo Jahn-Teller, and hidden pseudo Jahn-Teller effects in C3H3 and C3H3(-).

    PubMed

    Kayi, H; Garcia-Fernandez, P; Bersuker, I B; Boggs, J E

    2013-09-12

    The electronic structure and vibronic coupling in two similar molecular systems, radical C3H3 and anion C3H3(-), in ground and excited states, are investigated in detail to show how their equilibrium structures, in deviation from the Born-Oppenheimer approximation, originate from the vibronic mixing of at least two electronic states, producing the Jahn-Teller (JT), pseudo JT (PJT), and hidden PJT effects. Starting with the high-symmetry geometry D3h of C3H3, we evaluated its 2-fold degenerate ground electronic state (2)E″ and two lowest excited states (2)A1' and (2)E' and found that all of them contribute to the distortion of the ground state via the JT vibronic coupling problem E″ ⊗ e' and two PJT problems (E″ + A1') ⊗ e″ and (E″ + E') ⊗ (a2″ + e″); all the three active normal modes e'(1335 cm(-1)), e″(1030 cm(-1)), and a2″(778 cm(-1)) are imaginary, meaning that all the three vibronic couplings are sufficiently strong to cause instability, albeit in different directions. The first of them, the ground state JT effect, enhances one of the C-C bonds (toward an ethylenic form with C2v symmetry), while the two PJT effects produce, respectively, cis (a2″ toward C3v symmetry) and trans (e″) puckering of the hydrogen atoms. As a result, C3H3 has two coexisting equilibrium configurations with different geometry. In the C3H3(-) anion, the ground electronic state in D3h symmetry is an orbitally nondegenerate spin triplet (3)A2' with a group of close in energy singlet and triplet excited states in the order of (1)A1', (3)A1″, (1)E″, (3)E″, and (1)E'. This shows that two PJT couplings, ((3)A2' + (3)A1″) ⊗ a2″ and ((3)A2' + (3)E″) ⊗ e″, may influence the geometry of the equilibrium structure in the (3)A2' state. Indeed, both vibrational modes, a2″(1034 cm(-1)) and e″(1284 cm(-1)), are imaginary in this state. Similar to the radical case, they produce, respectively, cis (a2″) and trans (e″) puckering of the hydrogen atoms

  7. Supplementation of a grape seed and grape marc meal extract decreases activities of the oxidative stress-responsive transcription factors NF-κB and Nrf2 in the duodenal mucosa of pigs

    PubMed Central

    2013-01-01

    Background In pigs, enteric infections and the development of gut disorders such as diarrhoea are commonly observed, particularly after weaning. The present study investigated the hypothesis that feeding a grape seed and grape marc extract (GSGME) as a dietary supplement has the potential to suppress the inflammatory process in the small intestine of pigs by modulating the activities of NF-κB and Nrf2 due to its high content of flavonoids. Methods Twenty-four crossbred, 6 weeks old pigs were randomly assigned to 2 groups of 12 animals each and fed nutritionally adequate diets without or with 1% GSGME for 4 weeks. Results Pigs administered GSGME had a lower transactivation of NF-κB and Nrf2 and a lower expression of various target genes of these transcription factors in the duodenal mucosa than control pigs (P < 0.05). Concentrations of α-tocopherol and thiobarbituric acid reactive substances (TBARS) in liver and plasma and total antioxidant capacity of plasma and relative mRNA abundances of NF-κB and Nrf2 target genes in the liver did not differ between the two groups. However, the ratio of villus height:crypt depth and the gain:feed ratio was higher in the pigs fed GSGME than in control pigs (P < 0.05). Conclusions This study shows that dietary supplementation of a polyphenol rich GSGME suppresses the activity of NF-κB in the duodenal mucosa of pigs and thus might provide a useful dietary strategy to inhibit inflammation in the gut frequently occurring in pigs. Feeding GSGME did not influence vitamin E status and the antioxidant system of the pigs but improved the gain:feed ratio. In overall, the study suggests that polyphenol-rich plant extracts such GSGME could be useful feed supplements in pig nutrition, in order to maintain animal health and improve performance. PMID:23453040

  8. The effect of grape seed and grape marc meal extract on milk performance and the expression of genes of endoplasmic reticulum stress and inflammation in the liver of dairy cows in early lactation.

    PubMed

    Gessner, D K; Koch, C; Romberg, F-J; Winkler, A; Dusel, G; Herzog, E; Most, E; Eder, K

    2015-12-01

    During the periparturient phase, cows are typically in an inflammation-like condition, and it has been suggested that inflammation associated with the development of stress of the endoplasmic reticulum (ER) in the liver contributes to the development of fatty liver syndrome and ketosis. In the present study, we investigated the hypothesis that feeding grape seed and grape marc meal extract (GSGME) as a plant extract rich in flavonoids attenuates inflammation and ER stress in the liver of dairy cows. Two groups of cows received either a total mixed ration as a control diet or the same total mixed ration supplemented with 1% of GSGME over the period from wk 3 prepartum to wk 9 postpartum. Dry matter intake during wk 3 to 9 postpartum was not different between the 2 groups. However, the cows fed the diet supplemented with GSGME had an increased milk yield and an increased daily milk protein yield. Cows supplemented with GSGME moreover had a significantly reduced mRNA abundancy of fibroblast growth factor (FGF) 21, a stress hormone induced by various stress conditions, in the liver in wk 1 and 3 postpartum. In contrast, mRNA abundances of a total of 3 genes involved in inflammation and 14 genes involved in ER stress response, as well as concentrations of triacylglycerols and cholesterol, in liver samples of wk 1 and 3 postpartum did not differ between the 2 groups. Overall, this study shows that supplementation of GSGME did not influence inflammation or ER stress in the liver but increased milk yield, an effect that could be due to effects on ruminal metabolism. PMID:26409958

  9. The effect of grape seed and grape marc meal extract on milk performance and the expression of genes of endoplasmic reticulum stress and inflammation in the liver of dairy cows in early lactation.

    PubMed

    Gessner, D K; Koch, C; Romberg, F-J; Winkler, A; Dusel, G; Herzog, E; Most, E; Eder, K

    2015-12-01

    During the periparturient phase, cows are typically in an inflammation-like condition, and it has been suggested that inflammation associated with the development of stress of the endoplasmic reticulum (ER) in the liver contributes to the development of fatty liver syndrome and ketosis. In the present study, we investigated the hypothesis that feeding grape seed and grape marc meal extract (GSGME) as a plant extract rich in flavonoids attenuates inflammation and ER stress in the liver of dairy cows. Two groups of cows received either a total mixed ration as a control diet or the same total mixed ration supplemented with 1% of GSGME over the period from wk 3 prepartum to wk 9 postpartum. Dry matter intake during wk 3 to 9 postpartum was not different between the 2 groups. However, the cows fed the diet supplemented with GSGME had an increased milk yield and an increased daily milk protein yield. Cows supplemented with GSGME moreover had a significantly reduced mRNA abundancy of fibroblast growth factor (FGF) 21, a stress hormone induced by various stress conditions, in the liver in wk 1 and 3 postpartum. In contrast, mRNA abundances of a total of 3 genes involved in inflammation and 14 genes involved in ER stress response, as well as concentrations of triacylglycerols and cholesterol, in liver samples of wk 1 and 3 postpartum did not differ between the 2 groups. Overall, this study shows that supplementation of GSGME did not influence inflammation or ER stress in the liver but increased milk yield, an effect that could be due to effects on ruminal metabolism.

  10. Stephen Marc: Photographer for Our Time

    ERIC Educational Resources Information Center

    Smith, Toni M. Shorter

    2012-01-01

    It is said that "a picture is worth a thousand words" as visual images can express complex and multilayered ideas. Sometimes photographic imagery is so strong and resonant of certain success, struggles, or events that it becomes key to a community or generation. As historic records, photographs are uniquely able to present not only success and…

  11. On the Born-Oppenheimer approximation of diatomic molecular resonances

    SciTech Connect

    Martinez, André Sordoni, Vania

    2015-10-15

    We give a new reduction of a general diatomic molecular Hamiltonian, without modifying it near the collision set of nuclei. The resulting effective Hamiltonian is the sum of a smooth semiclassical pseudodifferential operator (the semiclassical parameter being the inverse of the square-root of the nuclear mass) and a semibounded operator localised in the elliptic region corresponding to the nuclear collision set. We also study its behaviour on exponential weights and give several applications where molecular resonances appear and can be well located.

  12. National Aspects of Creating and Using MARC/RECON Records.

    ERIC Educational Resources Information Center

    Rather, John C., Ed.; Avram, Henriette D., Ed.

    The Retrospective Conversion (RECON) Working Task Force investigated the problems of converting retrospective catalog records to machine readable form. The major conclusions and recommendations of the Task Force cover five areas: the level of machine-readable records, conversion of other machine-readable data bases, a machine-readable National…

  13. Robots Save Soldiers' Lives Overseas (MarcBot)

    NASA Technical Reports Server (NTRS)

    2009-01-01

    Marshall Space Flight Center mobile communications platform designs for future lunar missions led to improvements to fleets of tactical robots now being deployed by U.S. Army. The Multi-function Agile Remote Control Robot (MARCbot) helps soldiers search out and identify improvised explosive devices. NASA used the MARCbots to test its mobile communications platform, and in working with it, made the robot faster while adding capabilities -- upgrading to a digital camera, encrypting the controllers and video transmission, as well as increasing the range and adding communications abilities. They also simplified the design, providing more plug-and-play sensors and replacing some of the complex electronics with more trouble-free, low-cost components. Applied Geo Technology, a tribally-owned corporation in Choctaw, Mississippi, was given the task of manufacturing the modified robots. The company is now producing 40 units per month, 300 of which have already been deployed overseas.

  14. MARC and the Library Service Center: Automation at Bargain Rates.

    ERIC Educational Resources Information Center

    Pearson, Karl M.

    Despite recent research and development in the field of library automation, libraries have been unable to reap the benefits promised by technology due to the high cost of building and maintaining their own computer-based systems. Time-sharing and disc mass storage devices will bring automation costs, if spread over a number of users, within the…

  15. Project Explorer GAS #007: Marshall Amateur Radio Club Experiment (MARCE)

    NASA Technical Reports Server (NTRS)

    Stluka, E. F.

    1986-01-01

    Polls were taken at the Project Explorer meetings regarding flying without the radio experiment transmitting. The radio downlinks require extra coordination and are sensitive to certain payloads. The poll results were unanimous. The radio downlinks are vital in providing data on the health and status of the total experiments package, in real time, during the flight. The amateur radio operators, prepared to receive the downlinks and OSCAR-10 relays, revealed that there was enormous interest throughout the world, to participate. This sets the stage for the reflight opportunities which the GAS program has provided. Major activities, pertinent to the STS-41G flight preparations by the GAS #007 team and support group, are listed.

  16. File Size and the Cost of Processing MARC Records

    ERIC Educational Resources Information Center

    Kennedy, John P.

    1971-01-01

    The ratio of titles selected to titles read from the cumulative file is the most significant determinant of cost and an effective formula for limiting the growth of the file must be developed for an economical system. (AB)

  17. Radio and Reason--The Reith Lectures and J. Robert Oppenheimer

    ERIC Educational Resources Information Center

    Brake, Mark; Griffiths, Martin

    2009-01-01

    Radio broadcasting offers a unique opportunity to reach the public and facilitate their entertainment and education. In this vein, a series of high profile lectures in honour of Sir John Reith was initiated by the BBC in 1948 as a way of introducing the public to some of the greatest scientists of the age, enabling such thinkers to spread a…

  18. Global Minimum Determination of the Born-Oppenheimer Surface within Density Functional Theory

    SciTech Connect

    Goedecker, Stefan; Hellmann, Waldemar; Lenosky, Thomas

    2005-07-29

    We present a novel method, which we refer to as the dual minima hopping method, that allows us to find the global minimum of the potential energy surface (PES) within density functional theory for systems where a fast but less accurate calculation of the PES is possible. This method can rapidly find the ground state configuration of clusters and other complex systems with present day computer power by performing a systematic search. We apply the new method to silicon clusters. Even though these systems have already been extensively studied by other methods, we find new global minimum candidates for Si{sub 16} and Si{sub 19}, as well as new low-lying isomers for Si{sub 16}, Si{sub 17}, and Si{sub 18}.

  19. Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states.

    PubMed

    Bjorgaard, J A; Velizhanin, K A; Tretiak, S

    2016-04-21

    The effects of solvent on molecular processes such as excited state relaxation and photochemical reaction often occurs in a nonequilibrium regime. Dynamic processes such as these can be simulated using excited statemolecular dynamics. In this work, we describe methods of simulating nonequilibrium solvent effects in excited statemolecular dynamics using linear-response time-dependent density functional theory and apparent surface charge methods. These developments include a propagation method for solvent degrees of freedom and analytical energy gradients for the calculation of forces. Molecular dynamics of acetaldehyde in water or acetonitrile are demonstrated where the solute-solvent system is out of equilibrium due to photoexcitation and emission. PMID:27389206

  20. Critical assembly: A technical history of Los Alamos during the Oppenheimer years, 1943--1945

    SciTech Connect

    Hoddeson, L.; Henriksen, P.W.; Meade, R.A.; Westfall, C.

    1993-11-01

    This volume treats the technical research that led to the first atomic bombs. The authors explore how the ``critical assembly`` of scientists, engineers, and military Personnel at Los Alamos collaborated during World War II, blending their traditions to create a new approach to large-scale research. The research was characterized by strong mission orientation, multidisciplinary teamwork, expansion of the scientists` traditional methodology with engineering techniques, and a trail-and-error methodology responding to wartime deadlines. The book opens with an introduction laying out major themes. After a synopsis of the prehistory of the bomb project, from the discovery of nuclear fission to the start of the Manhattan Engineer District, and an overview of the early materials program, the book examines the establishment of the Los Alamos Laboratory, the implosion and gun assembly programs, nuclear physics research, chemistry and metallurgy, explosives, uranium and plutonium development, confirmation of spontaneous fission in pile-produced plutonium, the thermonuclear bomb, critical assemblies, the Trinity test, and delivery of the combat weapons.

  1. Before the Microwave Background: Early Big Bang Cosmology (The J. Robert Oppenheimer Lecture)

    NASA Astrophysics Data System (ADS)

    Kragh, Helge

    2006-04-01

    Finite-age (or big-bang) cosmological models can be traced back to G. Lemaître's relativistic model of 1931 (or even earlier, to A. Friedmann in 1922). However, the big bang concept does not exclusively belong to the class of relativistic models, and in the 1930s it was often associated with E.A. Milne's very different, so-called kinematic cosmology. But it was only with G. Gamow's research program in the late 1940s that the big-bang scenario became widely known and turned into a nuclear-physical theory of the early universe. How does the theory of Gamow and his collaborators R. Alpher and R. Herman compare with Lemaître's earlier ideas of a ``primeval atom''? And with the post-1965 version of big bang cosmology? The strange fate of the Gamow-Alpher-Herman hot big bang theory can only be understood if taking into account that relativistic evolution cosmology faced stiff competition throughout the 1950s from the steady-state theory of F. Hoyle and others.

  2. Born–Oppenheimer Approximation for an Atom in Constant Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Ashida, Sohei

    2016-08-01

    We obtain a reduction scheme for the study of the quantum evolution of an atom in constant magnetic fields using the method developed by Martinez, Nenciu and Sordoni based on the construction of almost invariant subspace. In Martinez-Sordoni \\cite{MaSo2} such a case is also studied but their reduced Hamiltonian includes the vector potential terms. In this paper, using the center of mass coordinates and constructing the almost invariant subspace different from theirs, we obtain the reduced Hamiltonian which does not include the vector potential terms. Using the reduced evolution we also obtain the asymptotic expantion of the evolution for a specific localized initial data, which verifies the straight motion of an atom in constatnt magnetic fields.

  3. Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states

    NASA Astrophysics Data System (ADS)

    Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

    2016-04-01

    The effects of solvent on molecular processes such as excited state relaxation and photochemical reaction often occurs in a nonequilibrium regime. Dynamic processes such as these can be simulated using excited state molecular dynamics. In this work, we describe methods of simulating nonequilibrium solvent effects in excited state molecular dynamics using linear-response time-dependent density functional theory and apparent surface charge methods. These developments include a propagation method for solvent degrees of freedom and analytical energy gradients for the calculation of forces. Molecular dynamics of acetaldehyde in water or acetonitrile are demonstrated where the solute-solvent system is out of equilibrium due to photoexcitation and emission.

  4. Oppenheimer's Box of Chocolates: Remediation of the Manhattan Project Landfill at Los Alamos National Laboratory - 12283

    SciTech Connect

    Allen, Donald L.; Ramsey, Susan S.; Finn, Kevin P.; Chaloupka, Allan B.

    2012-07-01

    Material Disposal Area B (MDA B) is the oldest radioactive waste disposal facility at Los Alamos National Laboratory. Operated from 1944-48, MDA B was the disposal facility for the Manhattan Project. Recognized as one of the most challenging environmental remediation projects at Los Alamos, the excavation of MDA B received $110 million from the American Recovery and Reinvestment Act of 2009 to accelerate this complex remediation work. Several factors combined to create significant challenges to remediating the landfill known in the 1940's as the 'contaminated dump'. The secrecy surrounding the Manhattan Project meant that no records were kept of radiological materials and chemicals disposed or of the landfill design. An extensive review of historical documents and interviews with early laboratory personnel resulted in a list of hundreds of hazardous chemicals that could have been buried in MDA B. Also, historical reports of MDA B spontaneously combusting on three occasions -with 50-foot flames and pink smoke spewing across the mesa during the last incident in 1948-indicated that hazardous materials were likely present in MDA B. To complicate matters further, though MDA B was located on an isolated mesa in the 1940's, the landfill has since been surrounded by a Los Alamos commercial district. The local newspaper, hardware store and a number of other businesses are located directly across the street from MDA B. This close proximity to the public and the potential for hazardous materials in MDA B necessitated conducting remediation work within protective enclosures. Potential chemical hazards and radiological inventory were better defined using a minimally intrusive sampling method called direct push technology (DPT) prior to excavation. Even with extensive sampling and planning the project team encountered many surprises and challenges during the project. The one area where planning did not fail to meet reality was safety. There were no serious worker injuries and the minor injuries recorded were those common to construction type activities. Extensive monitoring along the site boundary demonstrated that no hazardous chemicals were released and radiological dose to the public was within administrative limits. More than three years of effort by the LANL project team went into the planning for remediation of Material Disposal Area B. Hundreds of historical documents were reviewed; retired personnel were extensively interviewed and noninvasive techniques were used to characterize the site. The information collected was incorporated into the safety requirements, cost estimate, schedule and primary execution plan for the project. Ultimately the waste volume managed by the project approached 40000 m{sup 3}, more than double the original project estimate. This increase had a major impact on both project cost and schedule. Nuclear safety requirements for the project were based on an estimated MDA B radionuclide inventory of 12 PE-Ci. When excavation was complete over 123 PE-Ci had been removed from the trenches. The radionuclide inventory at MDA B was an order of magnitude higher than estimated. Work at MDA B could not have proceeded without the safety basis exemption from DOE-HQ. The one area where planning did not fail to meet reality was safety. There were no serious worker injuries and the minor injuries recorded were those common to construction type activities. Extensive monitoring along the site boundary demonstrated that no hazardous chemicals were released and radiological dose to the public was within administrative limits. (authors)

  5. MARC: A Thought Experiment in the Morality of Automated Marking of English

    ERIC Educational Resources Information Center

    Elliott, Victoria

    2014-01-01

    Automated essay scoring programs are becoming more common and more technically advanced. They provoke strong reactions from both their advocates and their detractors. Arguments tend to fall into two categories: technical and principled. This paper argues that since technical difficulties will be overcome with time, the debate ought to be held in…

  6. A CERIF-Compatible Research Management System Based on the MARC 21 Format

    ERIC Educational Resources Information Center

    Ivanovic, Dragan; Milosavljevic, Gordana; Milosavljevic, Branko; Surla, Dusan

    2010-01-01

    Purpose: Entering data about published research results should be implemented as a web application that enables authors to input their own data without the knowledge of the bibliographic standard. The aim of this research is to develop a research management system based on a bibliographic standard and to provide data exchange with other research…

  7. Implementing the Massachusetts Model for Comprehensive School Counseling Programs: A Case Study Examining MARC Award Recipients

    ERIC Educational Resources Information Center

    Salas, Kathryn

    2013-01-01

    Post secondary education is essential to success. To ensure that students who graduate from high school are prepared to make informed decisions about their life after high school, they need to be explicitly taught career development skills. These skills should be part of a comprehensive, results-based, developmentally appropriate comprehensive…

  8. [Development of complex enzymatic preparations of pactinases and celulases for sugar beet marc digestion].

    PubMed

    Bushina, E V; Rozhkova, A M; Zorov, I N; Satrutdinov, A D; Bekkarevich, A O; Koshelev, A V; Okunev, O N; Sinitsyn, A P

    2012-01-01

    Complex enzymatic preparations demonstrating activities homologous to pectinlyase A and heterologous to endo-1,4-beta-glucanase from Penicilliumverruculosum and beta-glycosidase from Aspergillusniger have been obtained on the basis of recombinant strains of the fungus Penicilliumcanescens. Two approaches were utilized: development of an enzymatic preparation on the basis of a new strain, which produced all three enzymes, and development of an enzymatic preparation via combined cultivation of three strains, each of which produced one of the enzymes.

  9. Marcé International Society position statement on psychosocial assessment and depression screening in perinatal women.

    PubMed

    Austin, Marie-Paule

    2014-01-01

    The position statement aims to articulate the arguments for and against universal psychosocial assessment and depression screening, and provide guidance to assist decision-making by clinicians, policy makers and health services. More specifically it: 1. Outlines the general principles and concepts involved in psychosocial assessment and depression screening; 2. Outlines the current debate regarding benefits and risks in this area of practice including the clinical benefits and the ethical, cultural and resource implications of undertaking universal psychosocial assessment in the primary health care setting; 3. Provides a document that will assist with advocacy for the development of perinatal mental health services in the primary care setting. The statement does not set out to make specific recommendations about psychosocial assessment and depression screening (as these will need to be devised locally depending on existing resources and models of care) nor does it attempt to summarise the vast evidence-base relevant to this debate. PMID:24138943

  10. Curriculum-Based Cataloging and the New Metadata: Cataloging beyond the World of MARC

    ERIC Educational Resources Information Center

    Adamich, Tom

    2007-01-01

    From earliest beginnings in the 1990s, cataloging in school libraries is the product of three tasks--listing important details about an item (such as author, size, number of pages), selecting words and phrases that describe the item (such as subject headings, summary notes), and choosing numbers and codes that place the item on the shelf (such as…

  11. Creation of Machine Readable Catalog Entries; An Adaptation of the "Data Preparation Manual: MARC Editors".

    ERIC Educational Resources Information Center

    OCLC Online Computer Library Center, Inc., Dublin, OH.

    The purpose of this manual is to specify the additional steps required in the data collection process to prepare bibliographic data for conversion into machine-readable form. It is designed to aid catalogers in preparing catalog entries in machine readable form for the on-line cataloging system of the Ohio College Library Center. The rules for…

  12. Morphology of the Ebro fan valleys from SeaMARC and sea beam profiles

    USGS Publications Warehouse

    Alonso, B.; Kastens, K.A.; Maldonado, A.; Malinverno, A.; Nelson, C.H.; O'Connell, S.; Palanques, A.; Ryan, William B. F.

    1985-01-01

    The northern continental slope off the Ebro Delta has a badland topography indicating major slope erosion and mass movement of material that deposits sediment into a ponded lobe. The southern slope has a low degree of mass movement activity and slope valleys feed channel levee-complexes on a steep continental rise. The last active fan valley is V-shaped with little meandering and its thalweg merges downstream with the Valencia Valley. The older and larger inactive channel-levee complex is smoother, U-shaped, and meanders more than the active fan valley. ?? 1985 Springer-Verlag New York Inc.

  13. Marcé International Society position statement on psychosocial assessment and depression screening in perinatal women.

    PubMed

    Austin, Marie-Paule

    2014-01-01

    The position statement aims to articulate the arguments for and against universal psychosocial assessment and depression screening, and provide guidance to assist decision-making by clinicians, policy makers and health services. More specifically it: 1. Outlines the general principles and concepts involved in psychosocial assessment and depression screening; 2. Outlines the current debate regarding benefits and risks in this area of practice including the clinical benefits and the ethical, cultural and resource implications of undertaking universal psychosocial assessment in the primary health care setting; 3. Provides a document that will assist with advocacy for the development of perinatal mental health services in the primary care setting. The statement does not set out to make specific recommendations about psychosocial assessment and depression screening (as these will need to be devised locally depending on existing resources and models of care) nor does it attempt to summarise the vast evidence-base relevant to this debate.

  14. The F-MARC study on Ramadan and football: research design, population, and environmental conditions.

    PubMed

    Leiper, John B; Maughan, Ronald J; Kirkendall, Donald T; Bartagi, Zakia; Zerguini, Yacine; Junge, Astrid; Dvorak, Jiri

    2008-12-01

    Ramadan is a month of penance during which Muslims take food or drink only after sunset and before the sun rises. This fast can present a considerable challenge to the Muslim athlete. Sports performance in those who observe Ramadan and those who do not has not been formally compared. Four Tunisian junior football squads participated in the study, and it was the individual's choice whether they observed the Ramadan fast. In this study, 64 players fasted while 36 players did not. Players completed daily questionnaires on perception of training difficulty before and during Ramadan. Anthropometric data were recorded 3 weeks before Ramadan, during the second and fourth weeks of Ramadan, and into the third week after Ramadan. Performance tests (sprint, leg power, agility, aerobic endurance, football-specific skills) were also measured on these test days. Nutritional intake was recorded by recall three times during each phase of the study. Haematological and biochemical analyses were performed on a 7-ml blood sample taken from each participant on each of the test days. Sweat samples were collected during a training session in the third week of Ramadan, when heart rate was also measured. The data analyses are presented and discussed elsewhere in this issue.

  15. Immunomodulating and anti-allergic effects of Negroamaro and Koshu Vitis vinifera fermented grape marc (FGM).

    PubMed

    Marzulli, Giuseppe; Magrone, Thea; Vonghia, Luisa; Kaneko, Masahiro; Takimoto, Hiroaki; Kumazawa, Yoshio; Jirillo, Emilio

    2014-01-01

    Polyphenols contained in FGM from Negroamaro (N) and Koshu (K) Vitis vinifera have been shown to exhibit several immunomodulating activities. For instance, mice affected by experimental colitis when administered with K-FGM showed an attenuation of the inflammatory process. In murine asthma, K-FGM reduced IgE production and eosinophil number in bronchial alveolar lavage fluid. In vitro, both N- and K-FGM were able to induce T regulatory cells in terms of Foxp-3 molecule expression and release of interleukin-10. In another set of experiments both N- and K-FGM were able to balance rate of proliferation/apoptosis/necrosis of normal human peripheral lymphocytes, thus indicating the property of these compounds to maintain immune homeostatic mechanisms in the host. On the other hand, N- and K-FGM inhibited human basophil degranulation, thus, confirming our previous results obtained with rat basophilic leukemia cells. Finally, N- and K-FGM also decreased oxidative burst of human polymorphonuclear cells and monocytes.Taken together, these findings imply the potential clinical usefulness of FGM administration in inflammatory/allergic conditions, such as chronic asthma.

  16. Micro-scale energy valorization of grape marcs in winery production plants.

    PubMed

    Fabbri, Andrea; Bonifazi, Giuseppe; Serranti, Silvia

    2015-02-01

    The Biochemical Methane Potential (BMP) of winery organic waste, with reference to two Italian red and white grapes (i.e. Nero Buono and Greco) by-products was investigated. The study was carried out to verify the possibility to reduce the production impact in a green-waste-management-chain-perspective. The possibility to efficiently utilize wine-related-by-products for energy production at a micro-scale (i.e. small-medium scale winery production plant) was also verified. Results showed as a good correlation can be established between the percentage of COD removal and the biogas production, as the winery can produce, from its waste methanization, about 7800 kW h year(-1) electrical and 8900 kW h year(-1) thermal. A critical evaluation was performed about the possibility to utilize the proposed approach to realize an optimal biomass waste management and an energetic valorization in a local-energy-production-perspective. PMID:25529134

  17. Ab initio non-Born-Oppenheimer simulations of rescattering dissociation of H2 in strong infrared laser fields

    NASA Astrophysics Data System (ADS)

    Li, Zhi-Chao; He, Feng

    2014-11-01

    We simulate the time-dependent Schrödinger equation and observe the rescattering dissociation of H2 in strong infrared laser fields. Two dissociation pathways are identified, i.e., the dissociation of H2+ in the 2 p σu state and the dissociation of H2 in doubly excited states. The former accounts for larger proportions as the rescattering energy is larger. The kinetic energy release of dissociative fragments reflects the temporal internuclear distance at the moment the rescattering happens.

  18. Impact of Mercury(II) on proteinase K catalytic center: investigations via classical and Born-Oppenheimer molecular dynamics.

    PubMed

    Panek, Jarosław J; Mazzarello, Riccardo; Novič, Marjana; Jezierska-Mazzarello, Aneta

    2011-02-01

    Mercury(II) has a strong affinity for the thiol groups in proteins often resulting in the disruption of their biological functions. In this study we present classical and first-principles, DFT-based molecular dynamics (MD) simulations of a complex of Hg(II) and proteinase K, a well-known serine protease with a very broad and diverse enzymatic activity. It contains a catalytic triad formed by Asp39, His69, and Ser224, which is responsible for its biological activity. It was found previously by X-ray diffraction experiments that the presence of Hg(II) inhibits the enzymatic action of proteinase K by affecting the stereochemistry of the triad. Our simulations predict that (i) the overall structure as well as the protein backbone dynamics are only slightly affected by the mercury cation, (ii) depending on the occupied mercury site, the hydrogen bonds of the catalytic triad are either severely disrupted (both bonds for mercury at site 1, and the His69-Ser224 contact for mercury at site 2) or slightly strengthened (the Asp39-His69 bond when mercury is at site 2), (iii) the network of hydrogen bonds of the catalytic triad is not static but undergoes constant fluctuations, which are significantly modified by the presence of the Hg(II) cation, influencing in turn the triad's ability to carry out the enzymatic function--these facts explain the experimental findings on the inhibition of proteinase K by Hg(II).

  19. Tolman-Oppenheimer-Volkoff equations and their implications for the structures of relativistic stars in f(T) gravity

    NASA Astrophysics Data System (ADS)

    Kpadonou, A. V.; Houndjo, M. J. S.; Rodrigues, M. E.

    2016-07-01

    We investigate in this paper the structures of neutron and quark stars in f(T) theory of gravity where T denotes the torsion scalar. Attention is attached to the TOV type equations of this theory and numerical integrations of these equations are performed with suitable EoS. We search for the deviation of the mass-radius diagrams for power-law and exponential type correction from the TT gravity. Our results show that for some values of the input parameters appearing in the considered models, f(T) theory promotes more the structures of the relativistic stars, in consistency with the observational data.

  20. Characteristics of a sandy depositional lobe on the outerMississippi Fan from Sea MARC 1A sidescan sonar images

    USGS Publications Warehouse

    Twichell, D.C.; Schwab, W.C.; Nelson, C.H.; Kenyon, Neil H.; Lee, H.J.

    1992-01-01

    Shows that channelized rather than unconfined transport was the dominant transport mechanism for coarse-grained sediment during the formation of this part of the deep-sea fan. The dendritic distributary pattern and the high order of splaying of the channels, only one of which appears to have been active at a time, suggest that coarse- grained deposits on this fan are laterally discontinuous. -from Authors

  1. Venus analogues on the Earth's ocean floor(?): Volcanic terrains seen by SeaMARC 2 side scan sonar

    NASA Technical Reports Server (NTRS)

    Mouginis-Mark, P. J.; Fryer, P.; Hussong, D.; Zisk, S. H.

    1984-01-01

    The geology of Venus is discussed. The approximate age of the surface and the relative importance of large scale volcanic, tectonic and sedimentary processes are not known. Venus holds a very important role in comparative planetology. The investigation of comparable environments to Venus to test ideas of landform development on that planet are proposed.

  2. [Medecine and chemistry in the context of the Enlightenment: the thesis of the Lausanne physician Marc-Louis Vullyamoz].

    PubMed

    Terrier, Georges

    2003-01-01

    The chemico-medical essay "De sale lactis essentiali" is a thesis presented in Leyden in 1756 by a physician from Lausanne, M.-L. Vullyamoz, to obtain the medical degree. It shows that chemistry has become a university science connected with medicine and that combustion was explained at that time by G. E. Stahl's theory of the phlogiston. It reminds us that the hypotheses of this German physician, which were part of the animistic doctrine, were widely adopted in Europe. In chemistry they began to fade in 1789 after the publication of Lavoisier's work on oxydation. Nevertheless, they have contributed to establish a modern science. In medicine Stahl's animism evolved towards vitalism, which survived in several forms. Vullyamoz's thesis, which presents chemical experiences intended to analyse and promote a popular medicine, is a testimony of the spirit of Enlightenment, which rejects dogmatism and tries to understand facts through observation and the use of reason. PMID:15030051

  3. Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method

    NASA Astrophysics Data System (ADS)

    Cassam-Chenaï, Patrick; Suo, Bingbing; Liu, Wenjian

    2015-07-01

    We introduce the electron-nucleus mean-field configuration-interaction (EN-MFCI) approach. It consists in building an effective Hamiltonian for the electrons taking into account a mean field due to the nuclear motion and, conversely, in building an effective Hamiltonian for the nuclear motion taking into account a mean field due to the electrons. The eigenvalue problems of these Hamiltonians are solved in basis sets giving partial eigensolutions for the active degrees of freedom (DOF's), that is to say, either for the electrons or for nuclear motion. The process can be iterated or electron and nuclear motion DOF's can be contracted in a CI calculation. In the EN-MFCI reduction of the molecular Schrödinger equation to an electronic and a nuclear problem, the electronic wave functions do not depend parametrically upon nuclear coordinates. So, it is different from traditional adiabatic methods. Furthermore, when contracting electronic and nuclear functions, a direct product basis set is built in contrast with methods which treat electrons and nuclei on the same footing, but where electron-nucleus explicitly correlated coordinates are used. Also, the EN-MFCI approach can make use of the partition of molecular DOF's into translational, rotational, and internal DOF's. As a result, there is no need to eliminate translations and rotations from the calculation, and the convergence of vibrational levels is facilitated by the use of appropriate internal coordinates. The method is illustrated on diatomic molecules.

  4. Born-Oppenheimer energy surfaces of similar molecules: Interrelations between bond lengths, bond angles, and frequencies of normal vibrations in alkanes

    NASA Astrophysics Data System (ADS)

    Lifson, Shneior; Stern, Peter S.

    1982-11-01

    CH bond lengths, HCH and HCC bond angles, and CH symmetric and asymmetric stretching frequencies in alkane molecules are placed into four groups according to their occurrence in CH4, -CH3, CH2, and -CH, and are seen to vary in a regular fashion. The physical rationale offered for these variations relates them to balanced interactions between adjacent orbitals of CH and CC bonds, which are assumed to be common to all energy surfaces of alkane molecules. The regular variations are quantitatively reproduced by a consistent force field of alkanes, which in place of the usual harmonic stretching potentials uses only two Morse potentials, one for the CH bond, common to all four groups, and one for the CC bond. The correlated variation in bond lengths and bond angles, due to orbital interactions, is represented mainly by stretch-bend, stretch-stretch, and bend-bend cross terms. The resulting stretching frequencies, being dependent upon the second derivative of the Morse function, decrease with increasing bond length. The new force field yields bond lengths, bond angles, and vibrational frequencies, and reproduces the observed trend in their variation, mostly to within experimental accuracy. Remaining deviations are attributed to vicinal and higher order nonbonded interactions. Methane is included as a member of the alkane family and the new force field accounts successfully for its vibrational frequencies.

  5. Four decades of discovery in breast cancer research and treatment--an interview with V. Craig Jordan. Interview by Marc Poirot.

    PubMed

    Jordan, V Craig

    2011-01-01

    V. Craig Jordan is a pioneer in the molecular pharmacology and therapeutics of breast cancer. As a teenager, he wanted to develop drugs to treat cancer, but at the time in the 1960s, this was unfashionable. Nevertheless, he saw an opportunity and through his mentors, trained himself to re-invent a failed "morning-after pill" to become tamoxifen, the gold standard for the treatment and prevention of breast cancer. It is estimated that at least a million women worldwide are alive today because of the clinical application of Jordan's laboratory research. Throughout his career, he has always looked at "the good, the bad and the ugly" of tamoxifen. He was the first to raise concerns about the possibility of tamoxifen increasing endometrial cancer. He described selective estrogen receptor modulation (SERM) and he was the first to describe both the bone protective effects and the breast chemopreventive effects of raloxifene. Raloxifene did not increase endometrial cancer and is now used to prevent breast cancer and osteoporosis.The scientific strategy he introduced of using long term therapy for treatment and prevention caused him to study acquired drug resistance to SERMs. He made the paradoxical discovery that physiological estrogen can be used to treat and to prevent breast cancer once exhaustive anti-hormone resistance develops. His philosophy for his four decades of discovery has been to use the conversation between the laboratory and the clinic to improve women's health.

  6. On-line prediction of yield grade, longissimus muscle area, preliminary yield grade, adjusted preliminary yield grade, and marbling score using the MARC beef carcass image analysis system.

    PubMed

    Shackelford, S D; Wheeler, T L; Koohmaraie, M

    2003-01-01

    The present experiment was conducted to evaluate the ability of the U.S. Meat Animal Research Center's beef carcass image analysis system to predict calculated yield grade, longissimus muscle area, preliminary yield grade, adjusted preliminary yield grade, and marbling score under commercial beef processing conditions. In two commercial beef-processing facilities, image analysis was conducted on 800 carcasses on the beef-grading chain immediately after the conventional USDA beef quality and yield grades were applied. Carcasses were blocked by plant and observed calculated yield grade. The carcasses were then separated, with 400 carcasses assigned to a calibration data set that was used to develop regression equations, and the remaining 400 carcasses assigned to a prediction data set used to validate the regression equations. Prediction equations, which included image analysis variables and hot carcass weight, accounted for 90, 88, 90, 88, and 76% of the variation in calculated yield grade, longissimus muscle area, preliminary yield grade, adjusted preliminary yield grade, and marbling score, respectively, in the prediction data set. In comparison, the official USDA yield grade as applied by online graders accounted for 73% of the variation in calculated yield grade. The technology described herein could be used by the beef industry to more accurately determine beef yield grades; however, this system does not provide an accurate enough prediction of marbling score to be used without USDA grader interaction for USDA quality grading.

  7. ISS Update: Russian Spacesuits and Spacewalks

    NASA Video Gallery

    NASA Public Affairs Officer Brandi Dean interviews Marc Ciupitu, EVA Flight and Increment Manager, about the Russian Orlan spacesuits that cosmonauts wear during spacewalks. Marc also discusses wha...

  8. 77 FR 40668 - Self-Regulatory Organizations; Municipal Securities Rulemaking Board; Notice of Filing of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-10

    ...''); Full Life Financial LLC (``Full Life''); Government Finance Officers Association (``GFOA''); Kious and... From the Federal Register Online via the Government Publishing Office SECURITIES AND EXCHANGE... Association of Independent Public Finance Advisors (``NAIPFA''); Oppenheimer & Co. Inc. (``Oppenheimer'');...

  9. Comment on ``Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: Convergence toward Born-Oppenheimer trajectories'' [J. Chem. Phys. 121, 11542 (2004)

    NASA Astrophysics Data System (ADS)

    Iyengar, Srinivasan S.; Schlegel, H. Bernhard; Scuseria, Gustavo E.; Millam, John M.; Frisch, Michael J.

    2005-07-01

    The curvy-extended-Lagrangian molecular-dynamics (ELMD) approach [J. M. Herbert and M. Head-Gordon, J. Chem. Phys. 121, 11542 (2004)] is similar to atom-centered density-matrix propagation (ADMP) [H. B. Schlegel, J. M. Millam, S. S. Iyengar, G. A. Voth, A. D. Daniels, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys. 114, 9758 (2001); S. S. Iyengar, H.B. Schlegel, J.M. Millam, G.A. Voth, G.E. Scuseria, and M.J. Frisch, ibid.115, 10291 (2001); H.B. Schlegel, S.S. Iyengar, X. Li, J.M. Millam, G.A. Voth, G.E. Scuseria, and M.J. Frisch, ibid. 117, 8694 (2002); S.S. Iyengar, H.B. Schlegel, G.A. Voth, J.M. Millam, G.E. Scuseria, and M.J. Frisch, Israel J. Chem. 42, 191 (2002)] and based on Car-Parrinello [Phys. Rev. Lett. 55, 2471 (1985)] extended-Lagrangian [H.C. Andersen, J. Chem. Phys. 72, 2384 (1980)] molecular dynamics. Similarities between curvy-ELMD and ADMP arise from using unconverged electronic single-particle density matrices within Gaussian basis functions as dynamical variables. Curvy-ELMD differs from ADMP in not requiring idempotency to be explicitly enforced. In this Comment, we address several misleading remarks in Refs. 1 [J.M. Herbert and M. Head-Gordon, J. Chem. Phys. 121, 11542 (2004)] and 8 [J.M. Herbert and M. Head-Gordon, J. Chem. Phys. (submitted)].

  10. Book Review: Book review

    NASA Astrophysics Data System (ADS)

    Brown, Laurie M.

    This volume is based on a centennial conference held in 2004 at Berkeley, where J. Robert Oppenheimer had been a professor and done his most important scientific work. As the Preface states, it complements the many "old biographies and new ones, treatments in film, literature, and television, even an opera." The articles are grouped under the following headings: Oppenheimer as Physicist, The Communist Question, The Soviet Comparison: New Insights, Postwar Politics: The Oppenheimer Case in Context, Cultural Resonances, The Public Oppenheimer.

  11. Modulation of type I interferon induction by porcine reproductive and respiratory syndrome virus and degradation of CREB-binding protein by non-structural protein 1 in MARC-145 and HeLa cells

    SciTech Connect

    Kim, Oekyung; Sun Yan; Lai, Frances W.; Song Cheng; Yoo, Dongwan

    2010-07-05

    Porcine reproductive and respiratory syndrome (PRRS) is an emerged disease of swine characterized by negligible response of type I IFNs and viral persistence. We show that the PRRSV non-structural protein 1 (Nsp1) is the viral component responsible for modulation of IFN response. Nsp1 blocked dsRNA-induced IRF3 and IFN promoter activities. Nsp1 did not block phosphorylation and nuclear translocation of IRF3 but inhibited IRF3 association with CREB-binding protein (CBP) in the nucleus. While IRF3 was stable, CBP was degraded, and CBP degradation was proteasome-dependent, suggesting that CBP degradation is not due to the protease activity of Nsp1 but an intermediary is involved. Our data suggest that the Nsp1-mediated CBP degradation inhibits the recruitment of CBP for enhanceosome assembly, leading to the block of IFN response. CBP degradation is a novel strategy for viral evasion from the host response, and Nsp1 may form a new class of viral antagonists for IFN modulation.

  12. The Marc Dax (1770-1837)/Paul Broca (1824-1880) Controversy over Priority in Science: Left Hemisphere Specificity for Seat of Articulate Language and for Lesions that Cause Aphemia

    ERIC Educational Resources Information Center

    Buckingham, Hugh W.

    2006-01-01

    One of the most fascinating and frustrating issues in the priority of discovery in science is over just who, for the first time, went on record in the public forum, either orally at a conference or through a published communication, proclaiming that the faculty of articulate human speech was located in the left, not the right, cortical hemisphere.…

  13. The Gravity Probe B test of general relativity

    NASA Astrophysics Data System (ADS)

    Everitt, C. W. F.; Muhlfelder, B.; DeBra, D. B.; Parkinson, B. W.; Turneaure, J. P.; Silbergleit, A. S.; Acworth, E. B.; Adams, M.; Adler, R.; Bencze, W. J.; Berberian, J. E.; Bernier, R. J.; Bower, K. A.; Brumley, R. W.; Buchman, S.; Burns, K.; Clarke, B.; Conklin, J. W.; Eglington, M. L.; Green, G.; Gutt, G.; Gwo, D. H.; Hanuschak, G.; He, X.; Heifetz, M. I.; Hipkins, D. N.; Holmes, T. J.; Kahn, R. A.; Keiser, G. M.; Kozaczuk, J. A.; Langenstein, T.; Li, J.; Lipa, J. A.; Lockhart, J. M.; Luo, M.; Mandel, I.; Marcelja, F.; Mester, J. C.; Ndili, A.; Ohshima, Y.; Overduin, J.; Salomon, M.; Santiago, D. I.; Shestople, P.; Solomonik, V. G.; Stahl, K.; Taber, M.; Van Patten, R. A.; Wang, S.; Wade, J. R.; Worden, P. W., Jr.; Bartel, N.; Herman, L.; Lebach, D. E.; Ratner, M.; Ransom, R. R.; Shapiro, I. I.; Small, H.; Stroozas, B.; Geveden, R.; Goebel, J. H.; Horack, J.; Kolodziejczak, J.; Lyons, A. J.; Olivier, J.; Peters, P.; Smith, M.; Till, W.; Wooten, L.; Reeve, W.; Anderson, M.; Bennett, N. R.; Burns, K.; Dougherty, H.; Dulgov, P.; Frank, D.; Huff, L. W.; Katz, R.; Kirschenbaum, J.; Mason, G.; Murray, D.; Parmley, R.; Ratner, M. I.; Reynolds, G.; Rittmuller, P.; Schweiger, P. F.; Shehata, S.; Triebes, K.; VandenBeukel, J.; Vassar, R.; Al-Saud, T.; Al-Jadaan, A.; Al-Jibreen, H.; Al-Meshari, M.; Al-Suwaidan, B.

    2015-11-01

    The Gravity Probe B mission provided two new quantitative tests of Einstein’s theory of gravity, general relativity (GR), by cryogenic gyroscopes in Earth’s orbit. Data from four gyroscopes gave a geodetic drift-rate of -6601.8 ± 18.3 marc-s yr-1 and a frame-dragging of -37.2 ± 7.2 marc-s yr-1, to be compared with GR predictions of -6606.1 and -39.2 marc-s yr-1 (1 marc-s = 4.848 × 10-9 radians). The present paper introduces the science, engineering, data analysis, and heritage of Gravity Probe B, detailed in the accompanying 20 CQG papers.

  14. E=mc2 in theory and in practice

    NASA Astrophysics Data System (ADS)

    Friedlander, Michael W.

    2009-02-01

    Einstein and Oppenheimer are forever linked by that famous equation. Einstein derived it and Oppenheimer oversaw its terrible application. The Meaning of Genius is the subtitle that Silvan Schweber has chosen for his study of these two very different giants. Schweber is a theoretical physicist whose years at the Institute for Advanced Study in Princeton overlapped with those of Einstein and Oppenheimer, for whom he provides a perceptive comparison in his book's introductory chapter.

  15. NASA Dual Precipitation Radar Arrives at Goddard

    NASA Video Gallery

    The Dual-frequency Precipitation Radar (DPR) built by the Japan Aerospace Exploration Agency (JAXA) for the Global Precipitation Measurement (GPM) mission's Core Observatory arrived on Friday, Marc...

  16. Impact of Model Resolution and Snow Cover Modification on the Performance of Weather Forecasting and Research (WRF) Models of Winter Conditions that Contribute to Ozone Pollution in the Uintah Basin, Eastern Utah, Winter 2013. Trang T. Tran, Marc Mansfield and Seth Lyman Bingham Research Center, Utah State University

    NASA Astrophysics Data System (ADS)

    Tran, T. T.; Mansfield, M. L.; Lyman, S.

    2013-12-01

    The Uintah Basin of Eastern Utah, USA, has experienced winter ozone pollution events with ozone concentrations exceeding the National Ambient Air Quality Standard of 75 ppb. With a total of four winter seasons of ozone sampling, winter 2013 is the worst on record for ozone pollution in the basin. Emissions of volatile organic compounds (VOCs) and nitrogen oxides (NOx) from oil and gas industries and other activities provide the precursors for ozone formation. The chemical mechanism of ozone formation is non-linear and complicated depending on the availability of VOCs and NOx. Moreover, meteorological conditions also play an important role in triggering ozone pollution. In the Uintah Basin, high albedo due to snow cover, a 'bowl-shaped' terrain, and strong inversions that trap precursors within the boundary layer are important factors contributing to ozone pollution. However, these local meteorological phenomena have been misrepresented by recent numerical modeling studies, probably due to misrepresenting the snow cover and complex terrain of the basin. In this study, Weather Research and Forecasting (WRF) simulations are performed on a model domain covering the entire Uintah Basin for winter 2013 (Dec 2012 - Mar 2013) to test the impacts of several grid resolutions (e.g., 4000, 1300 and 800m) and snow cover modification on performance of models of the local weather conditions of the basin. These sensitivity tests help to determine the best model configurations to produce appropriate meteorological input for air-quality simulations.

  17. Cataloging Production Standards in Academic Libraries.

    ERIC Educational Resources Information Center

    Smith, Philip M.

    1988-01-01

    Describes a survey of academic libraries which was conducted to determine what production standards are maintained for catalogers and paraprofessionals, and for each MARC format. The findings discussed include the impact on production standards of type of material (monographs, serials, other MARC formats); real time and offline cataloging; and…

  18. Do We Still Need Controlled Vocabulary? Of Course, We Do! But How Do We Get It: The Roles for Text Analysis Softwares.

    ERIC Educational Resources Information Center

    Greenfield, Rich

    The author argues that traditional library cataloging (MARC) and the online public access catalog (OPAC) are in collision with the world of the Internet because items in electronic formats undergo MARC cataloging only on a very selective basis. Also the library profession initially isolated itself from World Wide Web development by predicting no…

  19. Poor Americans: How the Poor White Live.

    ERIC Educational Resources Information Center

    Pilisuk, Marc; Pilisuk, Phyllis

    Contents of this book include the following essays which originally appeared in "Transaction" magazine: (1) "Poor Americans: an introduction," Marc Pilisuk and Phyllis Pilisuk; (2) "How the white poor live," Marc Pilisuk and Phyllis Pilisuk; (3) "The culture of poverty," Oscar Lewis; (4) "Life in Appalachia--the case of Hugh McCaslin," Robert…

  20. Information Technology.

    ERIC Educational Resources Information Center

    Marcum, Deanna; Boss, Richard

    1982-01-01

    Discusses a problem commonly encountered in library automation projects: the conversion from existing card catalog formats to machine readable catalog (MARC) records. Catalog formats, the advantages of full versus limited records, changing computer technology, the advantages of full MARC records, and record standardization are among the topics…

  1. Government Publications in an Online Catalog: A Feasibility Study.

    ERIC Educational Resources Information Center

    Bowerman, Roseann; Cady, Susan A.

    1984-01-01

    This investigation of utilization of machine-readable bibliographic records for government publications in online public access catalogs consists of a literature search, identification of applications of Government Printing Office (GPO) MARC tapes by bibliographic services and libraries, sampling GPO MARC test tape and profiling depository…

  2. Automation at the University of Georgia Libraries.

    ERIC Educational Resources Information Center

    Christoffersson, John G.

    1979-01-01

    Presents the design procedures, bibliographic system, file structures, acquisitions and circulation systems, functional implementation, and future development of the Managing Resources for University Libraries (MARVEL) data base at the University of Georgia Libraries, which accepts MARC input from OCLC and Library of Congress (LC) MARC tapes. (CWM)

  3. Cataloging with AACR2R and USMARC: For Books, Computer Files, Serials, Sound Recordings, Videorecordings.

    ERIC Educational Resources Information Center

    Fritz, Deborah A.

    Machine-Readable Cataloging (MARC) is the dominant format for the bibliographic cataloging of all types of library materials. This source cross references "Anglo-American Cataloging Rules, 2nd ed., 1988 revision" (AACR2R), MARC tags/subfields, and interpretations for Library of Congress rules for each of the major media categories. This book…

  4. Standardized Cataloging Rules: An Informal Exploration for the Beginner or Faint of Heart.

    ERIC Educational Resources Information Center

    Kaplan, Allison G.

    2000-01-01

    Discusses the need for school librarians to be familiar with basic cataloging rules and describes basic provisions of the Anglo American Cataloging Rules (AACR) and its revisions in AACR2R. Explains terminology, including MARC records and IBBD (International Standard Bibliographic Description), and lists helpful Web sites for MARC records and…

  5. IFLA General Conference, 1986. Open Forum on IFLA Core Programmes. Papers.

    ERIC Educational Resources Information Center

    International Federation of Library Associations and Institutions, The Hague (Netherlands).

    Papers presented at an open forum on IFLA core programs held at the 1986 general conference of IFLA include: (1) "The Current Activities of the IFLA International MARC (Machine Readable Cataloging) Programme: International MARC Project--Deutsche Bibliothek (IMP-DB)," (Dieter Wolf, Germany), which reviews the duties of the IMP-DB program and its…

  6. Einstein and General Relativity: Historical Perspectives.

    ERIC Educational Resources Information Center

    Chandrasekhar, S.

    1979-01-01

    This paper presented in the 1978 Oppenheimer Memorial Lecture at Los Alamos Scientific Laboratories on August 17, 1978, discusses Einstein's contributions to physics, in particular, his discovery of the general theory of relativity. (HM)

  7. Listings: Science in culture 2015

    NASA Astrophysics Data System (ADS)

    Cressey, Daniel

    2015-01-01

    Explore the gory glories of forensic science, grapple with Tom Stoppard's take on consciousness, learn what it takes to live on Mars, re-enter Jurassic Park, dive into a coral reef and dally with Robert Oppenheimer. Daniel Cressey reports.

  8. Quantum defects of nonpenetrating Rydberg states of the SO molecule in adiabatic and nonadiabatic regions of the spectrum

    NASA Astrophysics Data System (ADS)

    Dorofeev, Dmitry L.; Elfimov, Sergei V.; Zon, Boris A.

    2012-02-01

    This paper is dedicated to the implementation of a generalized approach for calculating quantum defects in high Rydberg states of polar molecules with an account for the dipole moment of the molecular core and l uncoupling of the Rydberg electron. Adiabatic (Born-Oppenheimer) and nonadiabatic (inverse Born-Oppenheimer) regions of the spectrum are considered. The nonadiabatic case with a nonzero projection of the core momentum on the core axis is considered and is illustrated by the example of the SO molecule.

  9. Earthquake Information System

    NASA Technical Reports Server (NTRS)

    1991-01-01

    IAEMIS (Integrated Automated Emergency Management Information System) is the principal tool of an earthquake preparedness program developed by Martin Marietta and the Mid-America Remote Sensing Center (MARC). It is a two-component set of software, data and procedures to provide information enabling management personnel to make informed decisions in disaster situations. The NASA-developed program ELAS, originally used to analyze Landsat data, provides MARC with a spatially-oriented information management system. Additional MARC projects include land resources management, and development of socioeconomic data.

  10. Report on Transmission Cost Allocation for RTOs and Others (Presentation)

    SciTech Connect

    Coles, L.

    2011-06-01

    Presented at the MARC 2011 Annual Conference, 6 June 2011, Rapid City, South Dakota. This presentation provides an overview of the latest research findings and policy developments pertaining to cost allocation and new variable generation resources on the power grid.

  11. Clinical Implications of Cancer Genomics: A Call for Papers.

    PubMed

    2016-04-01

    In this month's editorial, the PLOS Medicine Editors announce an upcoming Special Issue, with Guest Editors Elaine Mardis and Marc Ladanyi, on actionable advances in research on the cancer genome. PMID:27116432

  12. Colorectal Cancer: A Personal Journey | NIH MedlinePlus the Magazine

    MedlinePlus

    ... colorectal cancer screening. Photo Courtesy of: Phil Fisch Photography Designer Carmen Marc Valvo says “it’s always fashionable ... early detection is.” Photo Courtesy of: Phil Fisch Photography Determined to Fight He remembers experiencing a number ...

  13. 76 FR 81012 - Petition for Waiver of Compliance

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-27

    ...) train service on the National Railroad Passenger Corporation's (Amtrak) Northeast Corridor (NEC) at 100... geometry of the MARC route over the NEC. In December 2010, during route testing in Maryland, the...

  14. NASA Now: Dawn: Mission to the Asteroid Belt

    NASA Video Gallery

    In this NASA Now program, Marc Rayman, chief engineer for the Dawn mission, discusses ion propulsion, Newton’s laws and bodies in the solar system. This mission will help NASA understand what the...

  15. 75 FR 70905 - President's Export Council: Meeting of the President's Export Council

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-19

    ..., and to provide advice regarding how to promote U.S. exports, jobs, and growth. DATES: December 9, 2010... webcast on the Internet at http: whitehouse.gov live. FOR FURTHER INFORMATION CONTACT: J. Marc...

  16. 76 FR 9550 - President's Export Council: Meeting of the President's Export Council

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-18

    ..., and to provide advice regarding how to promote U.S. exports, jobs, and growth. DATES: March 11, 2011... webcast on the Internet at http://whitehouse.gov/live . FOR FURTHER INFORMATION CONTACT: J. Marc...

  17. Heavy Drinking Can Harm the Aging Brain

    MedlinePlus

    ... in their attention or executive function (which includes reasoning and working memory), regardless of their age, the ... The study was published Sept. 22 in Alcoholism: Clinical and Experimental Research . SOURCES: Marc Gordon, M.D., ...

  18. 76 FR 32187 - Central New York Oil and Gas Company, LLC; Notice of Availability of the Environmental Assessment...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-03

    ... From the Federal Register Online via the Government Publishing Office ] DEPARTMENT OF ENERGY... quality of the human environment. The proposed MARC I Hub Line Project includes the following facilities... local government representatives and agencies; elected officials; environmental and public...

  19. Improving the sludge conditioning potential of moringa seed

    NASA Astrophysics Data System (ADS)

    Ademiluyi, Joel O.; Eze, Romanus M.

    1990-01-01

    In the search for a cheaper material to effectively condition sludge, oil-free moringa seed was prepared and tested. A Soxhlet apparatus was used to extract the oil from moringa seed ( Moringa oleifera). The oil-free seed (marc) has been found to have higher conditioning potential than the ordinary moringa seed. However, the traditional ferric chloride is still a better sludge conditioner than moringa seed marc. For the digested domestic sludge used, optimum conditioning dosages were found to be 0.6, 0.80, and 1.10% of the total solids for ferric chloride, marc of the moringa seed, and ordinary moringa seed, respectively. Since little or no operational material is lost in the extraction process, the moringa seed marc is a promising conditioner in place of the ordinary seed.

  20. 75 FR 20988 - City of Tacoma, WA; Notice of Application for Amendment of License and Soliciting Comments...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-22

    ..., Tacoma Power, 3628 South 35th Street, Tacoma, Washington 98409, telephone (253) 502-8336; or Marc Wicke, Tacoma Power, 3628 South 35th Street, Tacoma, Washington 98409, telephone (253) 502-8196. i. FERC...

  1. Vitamin D Deficiency (Beyond the Basics)

    MedlinePlus

    ... of Use ©2016 UpToDate, Inc. Patient education: Vitamin D deficiency (Beyond the Basics) Author Marc K Drezner, ... topic last updated: Jun 09, 2015. INTRODUCTION — Vitamin D plays an important role in many places throughout ...

  2. Geriatrics: Profiles in Geriatrics

    MedlinePlus

    ... on the field. more info Todd Semla, Pharm D. Department of Veterans Affairs "I always liked working ... Rice University, a decade earlier. more info Marc D. Rothman, MD Chief Medical Officer, Kindred Healthcare Nursing ...

  3. Modeling of fault reactivation and induced seismicity during hydraulic fracturing of shale-gas reservoirs

    EPA Science Inventory

    We have conducted numerical simulation studies to assess the potential for injection-induced fault reactivation and notable seismic events associated with shale-gas hydraulic fracturing operations. The modeling is generally tuned toward conditions usually encountered in the Marce...

  4. Computerization at the Library of Congress: The First Twenty Years.

    ERIC Educational Resources Information Center

    Goodrum, Charles; Dalrymple, Helen

    1982-01-01

    Outlines the automation process at the Library of Congress begun in 1961, noting problems encountered and future possibilities, and describing databases currently in use--SCORPIO, MUMS, MARC, COPICS AND COINS, ISIS, AND PAGING. (EJS)

  5. From the tumor-inducing principle to plant biotechnology and its importance for society.

    PubMed

    Angenon, Geert; Van Lijsebettens, Mieke; Van Montagu, Marc

    2013-01-01

    This dialogue was held between the Guest Editors of the Special Issue on "Plant Transgenesis" of the Int. J. Dev. Biol. and Marc Van Montagu. Research in the group of Marc Van Montagu and Jeff Schell in the 1970s was essential to reveal how the phytopathogenic bacterium Agrobacterium tumefaciens transfers DNA to host plants to cause crown gall disease. Knowledge of the molecular mechanism underlying gene transfer, subsequently led to the development of plant transgene technology, an indispensable tool in fundamental plant research and plant improvement. In the early 1980s, Marc Van Montagu founded a start-up company, Plant Genetic Systems, which successfully developed insect-resistant plants, herbicide-tolerant plants and a hybrid seed production system based on nuclear male sterility. Even before the first transgenic plant had been produced, Marc Van Montagu realized that the less developed countries might benefit most from plant biotechnology and throughout his subsequent career, this remained a focus of his efforts. After becoming emeritus professor, he founded the Institute of Plant Biotechnology Outreach (IPBO), which aims to raise awareness of the major role that plant biotechnology can play in sustainable agricultural systems, especially in less developed countries. Marc Van Montagu has been honored with many prizes and awards, the most recent being the prestigious World Food Prize 2013. In this paper, we look to the past and present of plant biotechnology and to the promises this technology holds for the future, on the basis of the personal perspective of Marc Van Montagu. PMID:24166428

  6. Digital Subtraction MR Angiography Roadmapping for Magnetic Steerable Catheter Tracking

    PubMed Central

    Martin, Alastair J.; Lillaney, Prasheel; Saeed, Maythem; Losey, Aaron D.; Settecase, Fabio; Evans, Lee; Arenson, Ronald L.; Wilson, Mark W.; Hetts, Steven W.

    2014-01-01

    Purpose To develop a high temporal resolution MR imaging technique that could be employed with magnetically-assisted remote control (MARC) endovascular catheters. Materials and Methods A technique is proposed based on selective intra-arterial injections of dilute MR contrast at the beginning of a fluoroscopic MR angiography acquisition. The initial bolus of contrast is used to establish a vascular roadmap upon which MARC catheters can be tracked. The contrast to noise ratio of the achieved roadmap was assessed in phantoms and in a swine animal model. The ability of the technique to permit navigation of activated MARC catheters through arterial branch points was evaluated. Results The roadmapping mode proved effective in phantoms for tracking objects and achieved a contrast to noise ratio of 35.7 between the intra and extra-vascular space. In vivo, the intra-arterial enhancement strategy produced roadmaps with a contrast to noise ratio of 42.0. The artifact produced by MARC catheter activation provided signal enhancement patterns on the roadmap that experienced interventionalists could track through vascular structures. Conclusion A roadmapping approach with intra-arterial CE-MRA is introduced for navigating the MARC catheter. The technique mitigates the artifact produced by the MARC catheter, greatly limits the required SAR, permits regular roadmap updates due to the low contrast agent requirements, and proved effective in the in vivo setting. PMID:24797218

  7. From the tumor-inducing principle to plant biotechnology and its importance for society.

    PubMed

    Angenon, Geert; Van Lijsebettens, Mieke; Van Montagu, Marc

    2013-01-01

    This dialogue was held between the Guest Editors of the Special Issue on "Plant Transgenesis" of the Int. J. Dev. Biol. and Marc Van Montagu. Research in the group of Marc Van Montagu and Jeff Schell in the 1970s was essential to reveal how the phytopathogenic bacterium Agrobacterium tumefaciens transfers DNA to host plants to cause crown gall disease. Knowledge of the molecular mechanism underlying gene transfer, subsequently led to the development of plant transgene technology, an indispensable tool in fundamental plant research and plant improvement. In the early 1980s, Marc Van Montagu founded a start-up company, Plant Genetic Systems, which successfully developed insect-resistant plants, herbicide-tolerant plants and a hybrid seed production system based on nuclear male sterility. Even before the first transgenic plant had been produced, Marc Van Montagu realized that the less developed countries might benefit most from plant biotechnology and throughout his subsequent career, this remained a focus of his efforts. After becoming emeritus professor, he founded the Institute of Plant Biotechnology Outreach (IPBO), which aims to raise awareness of the major role that plant biotechnology can play in sustainable agricultural systems, especially in less developed countries. Marc Van Montagu has been honored with many prizes and awards, the most recent being the prestigious World Food Prize 2013. In this paper, we look to the past and present of plant biotechnology and to the promises this technology holds for the future, on the basis of the personal perspective of Marc Van Montagu.

  8. Effects of age, weight, and fat slaughter end points on estimates of breed and retained heterosis effects for carcass traits.

    PubMed

    Ríos-Utrera, A; Cundiff, L V; Gregory, K E; Koch, R M; Dikeman, M E; Koohmaraie, M; Van Vleck, L D

    2006-01-01

    The influence of different levels of adjusted fat thickness (AFT) and HCW slaughter end points (covariates) on estimates of breed and retained heterosis effects was studied for 14 carcass traits from serially slaughtered purebred and composite steers from the US Meat Animal Research Center (MARC). Contrasts among breed solutions were estimated at 0.7, 1.1, and 1.5 cm of AFT, and at 295.1, 340.5, and 385.9 kg of HCW. For constant slaughter age, contrasts were adjusted to the overall mean (432.5 d). Breed effects for Red Poll, Hereford, Limousin, Braunvieh, Pinzgauer, Gelbvieh, Simmental, Charolais, MARC I, MARC II, and MARC III were estimated as deviations from Angus. In addition, purebreds were pooled into 3 groups based on lean-to-fat ratio, and then differences were estimated among groups. Retention of combined individual and maternal heterosis was estimated for each composite. Mean retained heterosis for the 3 composites also was estimated. Breed rankings and expression of heterosis varied within and among end points. For example, Charolais had greater (P < 0.05) dressing percentages than Angus at the 2 largest levels of AFT and smaller (P < 0.01) percentages at the 2 largest levels of HCW, whereas the 2 breeds did not differ (P > or = 0.05) at a constant age. The MARC III composite produced 9.7 kg more (P < 0.01) fat than Angus at AFT of 0.7 cm, but 7.9 kg less (P < 0.05) at AFT of 1.5 cm. For MARC III, the estimate of retained heterosis for HCW was significant (P < 0.05) at the lowest level of AFT, but at the intermediate and greatest levels estimates were nil. The pattern was the same for MARC I and MARC III for LM area. Adjustment for age resulted in near zero estimates of retained heterosis for AFT, and similarly, adjustment for HCW resulted in nil estimates of retained heterosis for LM area. For actual retail product as a percentage of HCW, the estimate of retained heterosis for MARC III was negative (-1.27%; P < 0.05) at 0.7 cm but was significantly

  9. Effects of age, weight, and fat slaughter end points on estimates of breed and retained heterosis effects for carcass traits.

    PubMed

    Ríos-Utrera, A; Cundiff, L V; Gregory, K E; Koch, R M; Dikeman, M E; Koohmaraie, M; Van Vleck, L D

    2006-01-01

    The influence of different levels of adjusted fat thickness (AFT) and HCW slaughter end points (covariates) on estimates of breed and retained heterosis effects was studied for 14 carcass traits from serially slaughtered purebred and composite steers from the US Meat Animal Research Center (MARC). Contrasts among breed solutions were estimated at 0.7, 1.1, and 1.5 cm of AFT, and at 295.1, 340.5, and 385.9 kg of HCW. For constant slaughter age, contrasts were adjusted to the overall mean (432.5 d). Breed effects for Red Poll, Hereford, Limousin, Braunvieh, Pinzgauer, Gelbvieh, Simmental, Charolais, MARC I, MARC II, and MARC III were estimated as deviations from Angus. In addition, purebreds were pooled into 3 groups based on lean-to-fat ratio, and then differences were estimated among groups. Retention of combined individual and maternal heterosis was estimated for each composite. Mean retained heterosis for the 3 composites also was estimated. Breed rankings and expression of heterosis varied within and among end points. For example, Charolais had greater (P < 0.05) dressing percentages than Angus at the 2 largest levels of AFT and smaller (P < 0.01) percentages at the 2 largest levels of HCW, whereas the 2 breeds did not differ (P > or = 0.05) at a constant age. The MARC III composite produced 9.7 kg more (P < 0.01) fat than Angus at AFT of 0.7 cm, but 7.9 kg less (P < 0.05) at AFT of 1.5 cm. For MARC III, the estimate of retained heterosis for HCW was significant (P < 0.05) at the lowest level of AFT, but at the intermediate and greatest levels estimates were nil. The pattern was the same for MARC I and MARC III for LM area. Adjustment for age resulted in near zero estimates of retained heterosis for AFT, and similarly, adjustment for HCW resulted in nil estimates of retained heterosis for LM area. For actual retail product as a percentage of HCW, the estimate of retained heterosis for MARC III was negative (-1.27%; P < 0.05) at 0.7 cm but was significantly

  10. Mass radius relation of compact stars in the braneworld

    SciTech Connect

    Castro, Luis B.; Menezes, Débora P.; Alloy, Marcelo D. E-mail: alloy@uffs.edu.br

    2014-08-01

    The braneworld scenario, based on the fact that the four dimension space-time is a hyper-surface of a five dimensional manifold, was shown to deal in a satisfactory way with the hierarchy problem. In this work we study macroscopic stellar properties of compact stars from the braneworld point of view. Using neutron star equations of state, we test the possibility of extra dimensions by solving the brane Tolman-Oppenheimer-Volkoff equations obtained for three kinds of possible compact objects: hadronic, hybrid and quark stars. By comparing the macroscopic solutions with observational constraints, we establish a brane tension lower limit and the value for which the Tolman-Oppenheimer-Volkoff equations in the braneworld converge to the usual Tolman-Oppenheimer-Volkoff equations.

  11. Dynamical features of interference phenomena in the presence of entanglement

    SciTech Connect

    Kaufherr, T.; Aharonov, Y.; Nussinov, S.; Popescu, S.; Tollaksen, J.

    2011-05-15

    A strongly interacting, and entangling, heavy nonrecoiling external particle effects a significant change of the environment. Described locally, the corresponding entanglement event is a generalized electric Aharonov-Bohm effect, which differs from the original one in a crucial way. We propose a gedanken interference experiment. The predicted shift of the interference pattern is due to a self-induced or ''private'' potential difference experienced while the particle is in vacuum. We show that all nontrivial Born-Oppenheimer potentials are ''private'' potentials. We apply the Born-Oppenheimer approximation to interference states. Using our approach, we calculate the relative phase of the external heavy particle as well as its uncertainty throughout an interference experiment or entanglement event. We thus complement the Born-Oppenheimer approximation for interference states.

  12. Spectroscopically Accurate Calculations of the Rovibrational Energies of Diatomic Hydrogen

    NASA Astrophysics Data System (ADS)

    Perry, Jason

    2005-05-01

    The Born-Oppenheimer approximation has been used to calculate the rotational and vibrational states of diatomic hydrogen. Because it is an approximation, our group now wants to use a Born-Oppenheimer potential to calculate the electronic energy that has been corrected to match closely with spectroscopic results. We are using a code that has corrections for adiabatic, relativistic, radiative, and non-adiabatic effects. The rovibrational energies have now been calculated for both bound and quasi-bound states. We also want to compute quadrupole transition probabilities for diatomic hydrogen. These calculations aspire to investigate diatomic hydrogen in astrophysical environments.

  13. An isotopic mass effect on the intermolecular potential

    SciTech Connect

    Herman, Michael F.; Currier, Robert Patrick; Clegg, Samuel M.

    2015-09-28

    The impact of isotopic variation on the electronic energy and intermolecular potentials is often suppressed when calculating isotopologue thermodynamics. Intramolecular potential energy surfaces for distinct isotopologues are in fact equivalent under the Born–Oppenheimer approximation, which is sometimes used to imply that the intermolecular interactions are independent of isotopic mass. In this paper, the intermolecular dipole–dipole interaction between hetero-nuclear diatomic molecules is considered. It is shown that the intermolecular potential contains mass-dependent terms even though each nucleus moves on a Born–Oppenheimer surface. Finally, the analysis suggests that mass dependent variations in intermolecular potentials should be included in comprehensive descriptions of isotopologue thermodynamics.

  14. Comment on “On the quantum theory of molecules” [J. Chem. Phys. 137, 22A544 (2012)

    SciTech Connect

    Sutcliffe, Brian T.; Woolley, R. Guy

    2014-01-21

    In our previous paper [B. T. Sutcliffe and R. G. Woolley, J. Chem. Phys. 137, 22A544 (2012)] we argued that the Born-Oppenheimer approximation could not be based on an exact transformation of the molecular Schrödinger equation. In this Comment we suggest that the fundamental reason for the approximate nature of the Born-Oppenheimer model is the lack of a complete set of functions for the electronic space, and the need to describe the continuous spectrum using spectral projection.

  15. Clinical experience with planning, quality assurance, and delivery of burst-mode modulated arc therapy.

    PubMed

    Kainz, Kristofer; Prah, Douglas; Ahunbay, Ergun; Li, X Allen

    2016-01-01

    "Burst-mode" modulated arc therapy (hereafter referred to as "mARC") is a form of volumetric-modulated arc therapy characterized by variable gantry rotation speed, static MLCs while the radiation beam is on, and MLC repositioning while the beam is off. We present our clinical experience with the planning techniques and plan quality assurance measurements of mARC delivery. Clinical mARC plans for five representative cases (prostate, low-dose-rate brain, brain with partial-arc vertex fields, pancreas, and liver SBRT) were generated using a Monte Carlo-based treatment planning system. A conventional-dose-rate flat 6 MV and a high-dose-rate non-flat 7 MV beam are available for planning and delivery. mARC plans for intact-prostate cases can typically be created using one 360° arc, and treatment times per fraction seldom exceed 6 min using the flat beam; using the nonflat beam results in slightly higher MU per fraction, but also in delivery times less than 4 min and with reduced mean dose to distal organs at risk. mARC also has utility in low-dose-rate brain irradiation; mARC fields can be designed which deliver a uniform 20 cGy dose to the PTV in approximately 3-minute intervals, making it a viable alternative to conventional 3D CRT. For brain cases using noncoplanar arcs, delivery time is approximately six min using the nonflat beam. For pancreas cases using the nonflat beam, two overlapping 360° arcs are required, and delivery times are approximately 10 min. For liver SBRT, the time to deliver 800 cGy per frac-tion is at least 12 min. Plan QA measurements indicate that the mARC delivery is consistent with the plan calculation for all cases. mARC has been incorporated into routine practice within our clinic; currently, on average approximately 15 patients per day are treated using mARC; and with the exception of LDR brain cases, all are treated using the nonflat beam. PMID:27685123

  16. Influence of specific fermentation conditions on natural microflora of pomace in "Grappa" production.

    PubMed

    Iacumin, Lucilla; Manzano, Marisa; Cecchini, Francesca; Orlic, Sandi; Zironi, Roberto; Comi, Giuseppe

    2012-04-01

    As reported in the European Community regulation, grappa is a spirit beverage made in Italy from marc that has been steam distilled or distilled after the addition of water. Grape marc from red grapes has already undergone alcoholic fermentation with the must and can be distilled immediately. Grape marc from white grapes does not contain ethanol but contains sugars that are fermented by spontaneous anaerobic fermentation during a storage period. The characteristic aroma of grappa consists of a large number of volatile compounds, which arise from various sources, the most important of which is yeast. Very few studies have been undertaken to characterize the natural populations of yeast during the fermentation of grape marc. The goal of this study was to understand how different pHs, temperatures and yeast starter cultures affect the growth and dynamics of yeast species involved in pomace fermentation, which could be the basis for improving the final quality of grappa production. We found that a temperature of 15°C has the greatest effect on improving the quality of the product. Unfortunately, due to the solid state of the grape marc and the impossibility of its mixing, it appears that acidification and the addition of yeast starter cultures during the silage period are not effective. PMID:22805957

  17. Althaea rosea Cavanil and Plantago major L. suppress neoplastic cell transformation through the inhibition of epidermal growth factor receptor kinase.

    PubMed

    Choi, Eun-Sun; Cho, Sung-Dae; Shin, Ji-Ae; Kwon, Ki Han; Cho, Nam-Pyo; Shim, Jung-Hyun

    2012-10-01

    For thousands of years in Asia, Althaea rosea Cavanil (ARC) and Plantago major L. (PML) have been used as powerful non-toxic therapeutic agents that inhibit inflammation. However, the anticancer mechanisms and molecular targets of ARC and PML are poorly understood, particularly in epidermal growth factor (EGF)-induced neoplastic cell transformation. The aim of this study was to evaluate the chemopreventive effects and mechanisms of the methanol extracts from ARC (MARC) and PML (MPML) in EGF-induced neoplastic cell transformation of JB6 P+ mouse epidermal cells using an MTS assay, anchorage-independent cell transformation assay and western blotting. Our results showed that MARC and MPML significantly suppressed neoplastic cell transformation by inhibiting the kinase activity of the EGF receptor (EGFR). The activation of EGFR by EGF was suppressed by MARC and MPML treatment in EGFR(+/+) cells, but not in EGFR(-/-) cells. In addition, MARC and MPML inhibited EGF-induced cell proliferation in EGFR-expressing murine embryonic fibroblasts (EGFR(+/+)). These results strongly indicate that EGFR targeting by MARC and MPML may be a good strategy for chemopreventive or chemotherapeutic applications. PMID:22767187

  18. Althaea rosea Cavanil and Plantago major L. suppress neoplastic cell transformation through the inhibition of epidermal growth factor receptor kinase.

    PubMed

    Choi, Eun-Sun; Cho, Sung-Dae; Shin, Ji-Ae; Kwon, Ki Han; Cho, Nam-Pyo; Shim, Jung-Hyun

    2012-10-01

    For thousands of years in Asia, Althaea rosea Cavanil (ARC) and Plantago major L. (PML) have been used as powerful non-toxic therapeutic agents that inhibit inflammation. However, the anticancer mechanisms and molecular targets of ARC and PML are poorly understood, particularly in epidermal growth factor (EGF)-induced neoplastic cell transformation. The aim of this study was to evaluate the chemopreventive effects and mechanisms of the methanol extracts from ARC (MARC) and PML (MPML) in EGF-induced neoplastic cell transformation of JB6 P+ mouse epidermal cells using an MTS assay, anchorage-independent cell transformation assay and western blotting. Our results showed that MARC and MPML significantly suppressed neoplastic cell transformation by inhibiting the kinase activity of the EGF receptor (EGFR). The activation of EGFR by EGF was suppressed by MARC and MPML treatment in EGFR(+/+) cells, but not in EGFR(-/-) cells. In addition, MARC and MPML inhibited EGF-induced cell proliferation in EGFR-expressing murine embryonic fibroblasts (EGFR(+/+)). These results strongly indicate that EGFR targeting by MARC and MPML may be a good strategy for chemopreventive or chemotherapeutic applications.

  19. A new algorithm to handle finite nuclear mass effects in electronic calculations: the ISOTOPE program.

    PubMed

    Gonçalves, Cristina P; Mohallem, José R

    2004-11-15

    We report the development of a simple algorithm to modify quantum chemistry codes based on the LCAO procedure, to account for the isotope problem in electronic structure calculations. No extra computations are required compared to standard Born-Oppenheimer calculations. An upgrade of the Gamess package called ISOTOPE is presented, and its applicability is demonstrated in some examples. PMID:15362130

  20. Psychology Is Still a Problematic Science and the Public Knows It

    ERIC Educational Resources Information Center

    Teo, Thomas

    2012-01-01

    According to the philosophers of science Hempel and Oppenheim (1948), who were cited appropriately by Lilienfeld (see record 2011-12007-001) in his article, scientific explanations serve to answer "why" questions. Clarifying the logic of explanations in the sciences, they developed famously the notion that phenomena can be explained (using…

  1. The Science of Climate Change

    ERIC Educational Resources Information Center

    Oppenheimer, Michael; Anttila-Hughes, Jesse K.

    2016-01-01

    Michael Oppenheimer and Jesse Anttila-Hughes begin with a primer on how the greenhouse effect works, how we know that Earth is rapidly getting warmer, and how we know that the recent warming is caused by human activity. They explain the sources of scientific knowledge about climate change as well as the basis for the models scientists use to…

  2. The Los Alamos primer

    SciTech Connect

    Serber, R.

    1992-01-01

    This book contains the 1943 lecture notes of Robert Serber. Serber was a protege of J. Robert Oppenheimer and member of the team that built the first atomic bomb - reveal what the Los Alamos scientists knew, and did not know, about the terrifying weapon they were building.

  3. The Impact on Homes with a School-Provided Laptop

    ERIC Educational Resources Information Center

    Bu Shell, Shawna M.

    2012-01-01

    For decades, educational policy advocates have argued for providing technology to students to enhance their learning environments. From filmstrips (Oppenheimer, 1997) to desktop computers (Cuban, 2002) to laptops (Silvernail, 2009; Warschauer, 2006), they have attempted to change the environment and style in which students learn, and how tools can…

  4. 75 FR 9959 - Notice of Applications for Deregistration Under Section 8(f) of the Investment Company Act of 1940

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-04

    ... assets to Oppenheimer International Growth Fund, based on net asset value. Expenses of $33,608 incurred... distribution to its shareholders, based on net asset value. Expenses of $93,115 incurred in connection with the... shareholders, based on net asset value. Expenses of $74,209 incurred in connection with the liquidation...

  5. What We Don't Understand, We Explain to Each Other

    ERIC Educational Resources Information Center

    Pines, David

    2015-01-01

    "What we don't understand, we explain to each other" was Robert Oppenheimer's 1948 description of theoretical physics as a profession. Because the phrase connects research, teaching, and learning, it seemed the right approach for the talk I gave to the AAPT [American Association of Physics Teachers] on receiving the 2013 J.D. Jackson…

  6. Globalization: A Brief Primer for Counselors

    ERIC Educational Resources Information Center

    Paredes, Daniel M.; Choi, Kyoung Mi; Dipal, Maria; Edwards-Joseph, Arline R. A. C.; Ermakov, Nikolai; Gouveia, Ana T.; Jain, Sachin; Koyama, Chieko; Hinkle, J. Scott; Benshoff, James M.

    2008-01-01

    The concept of globalization elicits a wide range of reactions among the public, policy makers, and academics (Bennhold 2007; Bradsher 2006; Cheng 2005; Dobbs 2004; Friedman 2005; Gilbert 2006; Oppenheimer 2005; Stiglitz 2006; Winestock 2001; World Commission on the Social Dimension of Globalization 2004). Increased understanding of globalization…

  7. Asian Pacific American College Freshman: Attitudes toward the Abolishment of Affirmative Action in College Admissions

    ERIC Educational Resources Information Center

    Hartlep, Nicholas D.; Ecker, Madonna M.; Miller, Donald D.; Whitmore, Kimberly E.

    2013-01-01

    Affirmative action is perceived as a corrective policy intended to promote social equity (Crosby, Iyer, & Sincharoen, 2006; Curry & West, 1996; Kaplin & Lee, 2007; Oppenheimer, 1996). Indeed, affirmative action as a policy has been used to address minority underrepresentation (Ball, 2000), remedying the effects of past/current…

  8. If Gifted/Learning Disabled Students Have Wisdom, They Have All Things!

    ERIC Educational Resources Information Center

    Kim, Jin-Young; Ko, Young-Gun

    2007-01-01

    This study explores how a historical genius with learning disabilities (LD) used his giftedness to surmount his disabilities. This study compared biographical data of a historical genius with LD to geniuses without LD using the posthumous diagnostic methodology. Niels Bohr, J. Robert Oppenheimer, and Enrico Fermi were selected for investigation.…

  9. A man, a plan, a bomb

    NASA Astrophysics Data System (ADS)

    Harris, Margaret

    2015-03-01

    Was the atomic bombing of Hiroshima and Nagasaki justified? Was it necessary? Were there other - better - options available, either to the scientists who built the bombs or the generals who ordered them dropped? Nearly 70 years later, there are still no settled answers to these questions, and Tom Morton-Smith's new play Oppenheimer wisely avoids dwelling on the "what ifs" of atomic history.

  10. The Lesson of Hiroshima and Nagasaki--Part I: The Past.

    ERIC Educational Resources Information Center

    Kauffman, George B.

    1985-01-01

    Examines scientific discoveries which underlie the atomic bomb and its technological development in the United States during World War II. Changing views, super-weapon development, early American efforts, production/dropping the bombs, and the Oppenheimer case are considered. (DH)

  11. Parents Leading the Way.

    ERIC Educational Resources Information Center

    Wolf, Kathy Goetz

    1996-01-01

    This special issue of the Family Resource Coalition Report presents personal experiences and reflections regarding parent involvement and leadership in family support. Articles in this issue are: (1) "The Vaughn Family Center: It's My Story" (Jorge Lara and Matt Oppenheim); (2) "Asking the Right Questions is Key to Developing Parent Advocacy" (Luz…

  12. Error Biases in Inner and Overt Speech: Evidence from Tongue Twisters

    ERIC Educational Resources Information Center

    Corley, Martin; Brocklehurst, Paul H.; Moat, H. Susannah

    2011-01-01

    To compare the properties of inner and overt speech, Oppenheim and Dell (2008) counted participants' self-reported speech errors when reciting tongue twisters either overtly or silently and found a bias toward substituting phonemes that resulted in words in both conditions, but a bias toward substituting similar phonemes only when speech was…

  13. A Cartoon in One Dimension of the Hydrogen Molecular Ion

    ERIC Educational Resources Information Center

    Dutta, Sourav; Ganguly, Shreemoyee; Dutta-Roy, Binayak

    2008-01-01

    To illustrate the basic methodology involved in the quantum mechanics of molecules, a one-dimensional caricature of the hydrogen molecular ion (H[superscript +][subscript 2]) is presented, which is exactly solvable, in the Born-Oppenheimer approximation, in terms of elementary functions. The purpose of the exercise is to elucidate in a simple…

  14. 75 FR 17179 - Notice of Applications for Deregistration Under Section 8(f) of the Investment Company Act of 1940

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-05

    ... affidavit or, for lawyers, a certificate of service. Hearing requests should state the nature of the writer... distribution to its shareholders, based on net asset value. Expenses of $28,735 incurred in connection with the..., 2009, applicant transferred its assets to Oppenheimer Developing Markets Fund, based on net asset...

  15. Towards Accurate Ab Initio Predictions of the Spectrum of Methane

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Kwak, Dochan (Technical Monitor)

    2001-01-01

    We have carried out extensive ab initio calculations of the electronic structure of methane, and these results are used to compute vibrational energy levels. We include basis set extrapolations, core-valence correlation, relativistic effects, and Born- Oppenheimer breakdown terms in our calculations. Our ab initio predictions of the lowest lying levels are superb.

  16. Instructional Resources: Is This Art?

    ERIC Educational Resources Information Center

    Arenas, Amelia

    1990-01-01

    Provides six lesson outlines to help teachers motivate high school students to discuss basic questions about the meaning and function of art, aesthetic responses cultural context, and artistic skill. Illustrates artwork from the Museum of Modern Art by Marcel Duchamp, Pablo Picasso, Jackson Pollock, and Meret Oppenheim. (KM)

  17. Balsscallichirus Sakai, 2011 (Decapoda: Axiidea: Callianassidae) in the fossil record: systematics and palaeobiogeography

    PubMed Central

    Hyžný, Matúš

    2016-01-01

    The fossil record of the ghost shrimp genus Balsscallichirus Sakai, 2011 (Crustacea: Decapoda: Callianassidae) is revised. Barnardcallichirus Sakai, 2011 and Tirmizicallichirus Sakai, 2011 are considered subjective synonyms of Balsscallichirus. Based on the examination of extant species it is argued that the morphology of the major cheliped merus, in combination with other hard part morphology characters, is sufficient for assignment of the fossil material into the genus. Main identifying characters are on merus which is keeled along its midline and its lower half is tuberculated; its lower margin possesses broad proximal meral hook continuing into a lobe distally; the entire lower margin is subdivided into numerous irregularly spaced spines. Three species, Callianassa sismondai A. Milne-Edwards, 1860, C. floriana Glaessner, 1928, and Podocallichirus laepaensis Hyžný & Muñiz, 2012, originally described from the Miocene of Italy, Austria and Spain, respectively, are assigned to Balsscallichirus herein. Neocallichirus wellsi Schweitzer, Feldmann & Gingerich, 2004 from the Upper Eocene of Pakistan is tentatively assigned to that genus as well. Spatial and temporal distribution of the genus indicates that at least since the Oligocene, and possibly even sooner (the Late Eocene), the genus has been restricted to the Western Tethys Region. Later, it migrated also into West Atlantic establishing present day communities. PMID:27499568

  18. Techniques of the Tympanomastoidectomy with Reconstruction of the Posterior Bone Wall of the External Auditory Canal.

    PubMed

    Dankuc, Dragan; Vlaški, Ljiljana; Pejaković, Nemanja

    2015-01-01

    A combined tympanoplasty method, the mobile-bridge tympanoplasty, has been applied at the Clinic for Ear, Nose and Throat Diseases in Novi Sad since 1998. Mobile-bridge tympanoplasty is performed at our Clinic by applying Feldmann's procedure utilizing a microsurgical oscillating saw. It is a combination of closed and open techniques for surgical treatment of middle ear diseases. In addition to this technique, a method for reconstruction of the posterior bone wall of the external auditory canal was introduced. This procedure is applied in cases of damage or impairment of the bony ear canal wall using mastoid cortical temporal bone graft or modeled cartilage of the concha. Maintenance of general anatomical relations in the middle ear enables good ventilation of pneumatic spaces of the middle ear and Eustachian tube permeability, thus providing good conditions for ossicular chain reconstruction. The incidence of recurrent cholesteatoma in combined mobile-bridge tympanoplasty and tympanoplasty with reconstruction of the posterior bone wall was 6% in total. The incidence values for the recurrent cholesteatoma in closed tympanoplasty and in cases of open techniques were 10%. Mobile-bridge tympanoplasty and reconstruction of the posterior bone wall of external auditory canal are methods of choice in surgical treatment of middle ear cholesteatoma that progressed to the attic space, sinus tympani and facial recess. PMID:26506763

  19. Evaluation of pharmaceuticals in surface water: reliability of PECs compared to MECs.

    PubMed

    Celle-Jeanton, Hélène; Schemberg, Dimitri; Mohammed, Nabaz; Huneau, Frédéric; Bertrand, Guillaume; Lavastre, Véronique; Le Coustumer, Philippe

    2014-12-01

    Due to the current analytical processes that are not able to measure all the pharmaceutical molecules and to the high costs and the consumption of time to sample and analyze PhACs, models to calculate Predicted Environmental Concentrations (PECs) have been developed. However a comparison between MECs and PECs, taking into account the methods of calculations and peculiarly the parameters included in the calculation (consumption data, pharmacokinetic parameters, elimination rate in STPs and in the environment), is necessary to assess the validity of PECs. MEC variations of sixteen target PhACs [acetaminophen (ACE), amlodipine (AML), atenolol (ATE), caffeine (CAF), carbamazepine (CAR), doxycycline (DOX), epoxycarbamazepine (EPO), fluvoxamine (FLU), furosemide (FUR), hydrochlorothiazide (HYD), ifosfamide (IFO), losartan (LOS), pravastatin (PRA), progesterone (PROG), ramipril (RAM), trimetazidine (TRI)] have been evaluated during one hydrological cycle, from October 2011 to October 2012 and compared to PECs calculated by using an adaptation of the models proposed by Heberer and Feldmann (2005) and EMEA (2006). Comparison of PECs and MECS has been achieved for six molecules: ATE, CAR, DOX, FUR, HYD and PRA. DOX, FUR and HYD present differences between PECs and MECs on an annual basis but their temporal evolutions follow the same trends. PEC evaluation for these PhACs could then be possible but need some adjustments of consumption patterns, pharmacokinetic parameters and/or mechanisms of (bio)degradation. ATE, CAR and PRA are well modeled; PECs can then be used as reliable estimation of concentrations without any reserve.

  20. Lilliput effect in a retroplumid crab (Crustacea: Decapoda) across the K/Pg boundary

    NASA Astrophysics Data System (ADS)

    Martínez-Díaz, José Luis; Phillips, George E.; Nyborg, Torrey; Espinosa, Belinda; Távora, Vladimir de Araújo; Centeno-García, Elena; Vega, Francisco J.

    2016-08-01

    The genus Costacopluma (Brachyura: Decapoda: Retroplumidae) had a wide distribution during the early Paleogene and is currently represented by 14 species across the Late Cretaceous and early Paleogene. Described early Paleogene species have a smaller mean body size compared to Campanian-Maastrichtian populations of Africa, northeastern Mexico, and southeastern United States. Originally described from the Paleocene and Eocene of Alabama, Costacopluma grayi Feldmann and Portell, 2007, is now documented from the uppermost Maastrichtian (66.2 Ma) of northeastern Mexico and Mississippi and Lower Paleocene of Arkansas, all representing medium size specimens. The morphological features of latest Maastrichtian (66.2 Ma) individuals are identical to those observed among populations of C. grayi from the Paleogene of Alabama and Arkansas, which have a smaller mean size. This size reduction, or dwarfism, in C. grayi across the K-Pg boundary is an example of the Lilliput effect. Dwarfism has been documented in several invertebrate groups as a response to environmental stress, but this is the first record of the Lilliput effect in brachyuran crustaceans. The stratigraphic and geographic range for Costacopluma mexicana Vega and Perrilliat, 1989, is extended to the upper Campanian in northeastern Mexico and lower Maastrichtian in Mississippi and is suggested as a possible ancestor of C. grayi. Different preservational modes for this species in northeastern Mexico are discussed.

  1. New records of marine algae in Vietnam

    NASA Astrophysics Data System (ADS)

    Le Hau, Nhu; Ly, Bui Minh; Van Huynh, Tran; Trung, Vo Thanh

    2015-06-01

    In May, 2013, a scientific expedition was organized by the Vietnam Academy of Science and Technology (VAST) and the Far Eastern Branch of the Russian Academy of Sciences (FEBRAS) through the frame of the VAST-FEBRAS International Collaboration Program. The expedition went along the coast of Vietnam from Quang Ninh to Kien Giang. The objective was to collect natural resources to investigate the biological and biochemical diversity of the territorial waters of Vietnam. Among the collected algae, six taxa are new records for the Vietnam algal flora. They are the red algae Titanophora pikeana (Dickie) Feldmann from Cu Lao Xanh Island, Laurencia natalensis Kylin from Tho Chu Island, Coelothrix irregularis (Harvey) Børgesen from Con Dao Island, the green algae Caulerpa oligophylla Montagne, Caulerpa andamanensis (W.R. Taylor) Draisma, Prudhomme et Sauvage from Phu Quy Island, and Caulerpa falcifolia Harvey & Bailey from Ly Son Island. The seaweed flora of Vietnam now counts 833 marine algal taxa, including 415 Rhodophyta, 147 Phaeophyceae, 183 Chlorophyta, and 88 Cyanobacteria.

  2. The pivotal role of the mitochondrial amidoxime reducing component 2 in protecting human cells against apoptotic effects of the base analog N6-hydroxylaminopurine.

    PubMed

    Plitzko, Birte; Havemeyer, Antje; Kunze, Thomas; Clement, Bernd

    2015-04-17

    N-Hydroxylated nucleobases and nucleosides as N-hydroxylaminopurine (HAP) or N-hydroxyadenosine (HAPR) may be generated endogenously in the course of cell metabolism by cytochrome P450, by oxidative stress or by a deviating nucleotide biosynthesis. These compounds have shown to be toxic and mutagenic for procaryotic and eucaryotic cells. For DNA replication fidelity it is therefore of great importance that organisms exhibit effective mechanisms to remove such non-canonical base analogs from DNA precursor pools. In vitro, the molybdoenzymes mitochondrial amidoxime reducing component 1 and 2 (mARC1 and mARC2) have shown to be capable of reducing N-hydroxylated base analogs and nucleoside analogs to the corresponding canonical nucleobases and nucleosides upon reconstitution with the electron transport proteins cytochrome b5 and NADH-cytochrome b5 reductase. By RNAi-mediated down-regulation of mARC in human cell lines the mARC-dependent N-reductive detoxication of HAP in cell metabolism could be demonstrated. For HAPR, on the other hand, the reduction to adenosine seems to be of less significance in the detoxication pathway of human cells as HAPR is primarily metabolized to inosine by direct dehydroxylamination catalyzed by adenosine deaminase. Furthermore, the effect of mARC knockdown on sensitivity of human cells to HAP was examined by flow cytometric quantification of apoptotic cell death and detection of poly (ADP-ribose) polymerase (PARP) cleavage. mARC2 was shown to protect HeLa cells against the apoptotic effects of the base analog, whereas the involvement of mARC1 in reductive detoxication of HAP does not seem to be pivotal. PMID:25713076

  3. The pivotal role of the mitochondrial amidoxime reducing component 2 in protecting human cells against apoptotic effects of the base analog N6-hydroxylaminopurine.

    PubMed

    Plitzko, Birte; Havemeyer, Antje; Kunze, Thomas; Clement, Bernd

    2015-04-17

    N-Hydroxylated nucleobases and nucleosides as N-hydroxylaminopurine (HAP) or N-hydroxyadenosine (HAPR) may be generated endogenously in the course of cell metabolism by cytochrome P450, by oxidative stress or by a deviating nucleotide biosynthesis. These compounds have shown to be toxic and mutagenic for procaryotic and eucaryotic cells. For DNA replication fidelity it is therefore of great importance that organisms exhibit effective mechanisms to remove such non-canonical base analogs from DNA precursor pools. In vitro, the molybdoenzymes mitochondrial amidoxime reducing component 1 and 2 (mARC1 and mARC2) have shown to be capable of reducing N-hydroxylated base analogs and nucleoside analogs to the corresponding canonical nucleobases and nucleosides upon reconstitution with the electron transport proteins cytochrome b5 and NADH-cytochrome b5 reductase. By RNAi-mediated down-regulation of mARC in human cell lines the mARC-dependent N-reductive detoxication of HAP in cell metabolism could be demonstrated. For HAPR, on the other hand, the reduction to adenosine seems to be of less significance in the detoxication pathway of human cells as HAPR is primarily metabolized to inosine by direct dehydroxylamination catalyzed by adenosine deaminase. Furthermore, the effect of mARC knockdown on sensitivity of human cells to HAP was examined by flow cytometric quantification of apoptotic cell death and detection of poly (ADP-ribose) polymerase (PARP) cleavage. mARC2 was shown to protect HeLa cells against the apoptotic effects of the base analog, whereas the involvement of mARC1 in reductive detoxication of HAP does not seem to be pivotal.

  4. The Pivotal Role of the Mitochondrial Amidoxime Reducing Component 2 in Protecting Human Cells against Apoptotic Effects of the Base Analog N6-Hydroxylaminopurine*

    PubMed Central

    Plitzko, Birte; Havemeyer, Antje; Kunze, Thomas; Clement, Bernd

    2015-01-01

    N-Hydroxylated nucleobases and nucleosides as N-hydroxylaminopurine (HAP) or N-hydroxyadenosine (HAPR) may be generated endogenously in the course of cell metabolism by cytochrome P450, by oxidative stress or by a deviating nucleotide biosynthesis. These compounds have shown to be toxic and mutagenic for procaryotic and eucaryotic cells. For DNA replication fidelity it is therefore of great importance that organisms exhibit effective mechanisms to remove such non-canonical base analogs from DNA precursor pools. In vitro, the molybdoenzymes mitochondrial amidoxime reducing component 1 and 2 (mARC1 and mARC2) have shown to be capable of reducing N-hydroxylated base analogs and nucleoside analogs to the corresponding canonical nucleobases and nucleosides upon reconstitution with the electron transport proteins cytochrome b5 and NADH-cytochrome b5 reductase. By RNAi-mediated down-regulation of mARC in human cell lines the mARC-dependent N-reductive detoxication of HAP in cell metabolism could be demonstrated. For HAPR, on the other hand, the reduction to adenosine seems to be of less significance in the detoxication pathway of human cells as HAPR is primarily metabolized to inosine by direct dehydroxylamination catalyzed by adenosine deaminase. Furthermore, the effect of mARC knockdown on sensitivity of human cells to HAP was examined by flow cytometric quantification of apoptotic cell death and detection of poly (ADP-ribose) polymerase (PARP) cleavage. mARC2 was shown to protect HeLa cells against the apoptotic effects of the base analog, whereas the involvement of mARC1 in reductive detoxication of HAP does not seem to be pivotal. PMID:25713076

  5. Soccer-Specific Warm-Up and Lower Extremity Injury Rates in Collegiate Male Soccer Players

    PubMed Central

    Grooms, Dustin R.; Palmer, Thomas; Onate, James A.; Myer, Gregory D.; Grindstaff, Terry

    2013-01-01

    Context: A number of comprehensive injury-prevention programs have demonstrated injury risk-reduction effects but have had limited adoption across athletic settings. This may be due to program noncompliance, minimal exercise supervision, lack of exercise progression, and sport specificity. A soccer-specific program described as the F-MARC 11+ was developed by an expert group in association with the Federation Internationale de Football Association (FIFA) Medical Assessment and Research Centre (F-MARC) to require minimal equipment and implementation as part of regular soccer training. The F-MARC 11+ has been shown to reduce injury risk in youth female soccer players but has not been evaluated in an American male collegiate population. Objective: To investigate the effects of a soccer-specific warm-up program (F-MARC 11+) on lower extremity injury incidence in male collegiate soccer players. Design: Cohort study. Setting: One American collegiate soccer team followed for 2 seasons. Patients or Other Participants: Forty-one male collegiate athletes aged 18–25 years. Intervention(s): The F-MARC 11+ program is a comprehensive warm-up program targeting muscular strength, body kinesthetic awareness, and neuromuscular control during static and dynamic movements. Training sessions and program progression were monitored by a certified athletic trainer. Main Outcome Measure(s): Lower extremity injury risk and time lost to lower extremity injury. Results: The injury rate in the referent season was 8.1 injuries per 1000 exposures with 291 days lost and 2.2 injuries per 1000 exposures and 52 days lost in the intervention season. The intervention season had reductions in the relative risk (RR) of lower extremity injury of 72% (RR = 0.28, 95% confidence interval = 0.09, 0.85) and time lost to lower extremity injury (P < .01). Conclusions: This F-MARC 11+ program reduced overall risk and severity of lower extremity injury compared with controls in collegiate-aged male soccer

  6. Practical Side of the Bibliographic Information Retrieval System in the National Museum of Ethnology

    NASA Astrophysics Data System (ADS)

    Kondo, Katsuichi

    The information retrieval system of the National Museum of Ethnology made its debut in 1979 and now enables us to search the books not only in the Museum but in the country and abroad by means of JAPAN MARC & LC MARC. The author presents the outline and the development of the information managing system including the above briefly and secondly the practical case of using our retrieval system in particular. The problems to be solved in the course of the future plan are also mentioned.

  7. Breed effects and retained heterosis for growth, carcass, and meat traits in advanced generations of composite populations of beef cattle.

    PubMed

    Gregory, K E; Cundiff, L V; Koch, R M; Dikeman, M E; Koohmaraie, M

    1994-04-01

    Retained heterosis for growth, carcass, and meat traits was estimated in F3 generation castrate male progeny in three composite populations finished on two levels of dietary energy density (2.82 Mcal of ME and 3.07 Mcal of ME and 11.50% CP) and serially slaughtered at four end points at intervals of 20 to 22 d. Breed effects were evaluated in nine parental breeds (Red Poll [R], Hereford [H], Angus [A], Limousin [L], Braunvieh [B], Pinzgauer [P], Gelbvieh [G], Simmental [S], and Charolais [C] that contributed to the three composite populations (MARC I = 1/4 B, 1/4 C, 1/4 L, 1/8 H, 1/8 A; MARC II = 1/4 G, 1/4 S, 1/4 H, 1/4 A; and MARC III = 1/4 R, 1/4 P, 1/4 H, and 1/4 A). Breed effects were important (P < .01) for carcass weight, dressing percentage, fat thickness, and marbling score; for retail product, fat trim and bone percentages and weights at two levels of fat trim (8 and 0 mm); and for carcass lean, fat, and bone percentages and weights. Mean slaughter weight was 54.7 kg greater for the Simmental, Gelbvieh, and Charolais breeds than for the Limousin but did not differ (P > .05) from Limousin in retail product weight or carcass lean weight because of higher dressing percentage, lower fat trim percentage, and lower bone percentage of Limousin. The effects of dietary energy density were important (P < .01) for most traits. The interaction of breed group x dietary energy density generally was not important. Retained heterosis generally was significant for each composite population for weight of retail product, fat trim, bone, and carcass lean, fat, and bone. For percentage of retail product, fat trim, carcass lean, carcass fat, and chemical fat in the 9-10-11th rib cut, generally, heterosis was significant for composites MARC II and MARC III but not for composite MARC I (i.e., composites MARC II and MARC III had a lower percentage of retail product and carcass lean and a higher percentage of fat trim, carcass fat, and chemical fat in the 9-10-11th rib cut than

  8. Low cost organization of a mental retardation facility staff library.

    PubMed

    Payne, E

    1985-01-01

    A mental retardation facility staff library of 700 volumes required complete organization. Two restraining factors were lack of personnel and limited funds. A plan was developed to classify titles according to Library of Congress, with the subject heading catalog predominantly based on Medical Subject Headings (MeSH). A cataloging service was located which produced custom card sets and book labels from CATLINE and MARC computer databases. Where necessary, MARC records were edited to alter LC subject headings to MeSH terminology. Organization was accomplished at an average cost per title of less than $1.50. PMID:10269914

  9. NASA STI Program Coordinating Council Twelfth Meeting: Standards

    NASA Technical Reports Server (NTRS)

    1994-01-01

    The theme of this NASA Scientific and Technical Information Program Coordinating Council Meeting was standards and their formation and application. Topics covered included scientific and technical information architecture, the Open Systems Interconnection Transmission Control Protocol/Internet Protocol, Machine-Readable Cataloging (MARC) open system environment procurement, and the Government Information Locator Service.

  10. Digital Renegades in America: Changing Metaphors to Realize the Potential of Technology in Education

    ERIC Educational Resources Information Center

    Smith, Thomas

    2013-01-01

    In 2001, Marc Prensky introduced a new metaphor to the educational landscape. He suggested that the rising generation were growing up in a time so filled with new media that they were "digital natives," while those born earlier were "digital immigrants." In this view, because the digital natives are growing up immersed in a sea…

  11. On-Line Reference Services and Teacher/Librarians.

    ERIC Educational Resources Information Center

    Curley, Elizabeth McDonald

    1979-01-01

    Describes the databases available to Canadian libraries through the Canadian Selective Dissemination of Information (CAN/SDI) Program: Library of Congress/MARC tapes, ERIC, Social Science Citation Index, and Psychological Abstracts. The CAN/SDI program is useful for the school librarian and teacher in the special profiles and online retrospective…

  12. Creating New Knowledge: Books that Demystify the Process

    ERIC Educational Resources Information Center

    Zarnowski, Myra; Turkel, Susan

    2012-01-01

    In the March/April issue of "The Horn Book Magazine," author and editor Marc Aronson wrote a lightening rod of an essay about nonfiction literature. In the article, he claimed that some "new" nonfiction is groundbreaking because it shows "new knowledge as it is taking shape" (2011, p. 57). He referred to authors of this new nonfiction as…

  13. Troubles du langage (Troubles with Language).

    ERIC Educational Resources Information Center

    de Weck, Genevieve, Ed.

    1997-01-01

    Articles on communication and language disorder are presented. All but one are in French; the other is in German. They include: "Specificity of Developmental Dysphasia: Implications for Intervention" (Marc Montfort, Adoracion Juarez Sanchez); "Difficulties with Language Development and Discursive Capacity" (Genevieve de Weck); "Language Production…

  14. Outsiders' Art

    ERIC Educational Resources Information Center

    Gehring, John

    2005-01-01

    Slam poetry was born in the Green Mill Tavern, a one-time Chicago speakeasy where Al Capone imbibed, when a construction worker and poet named Marc Smith revolutionized poetry readings with an Uptown Poetry Slam in 1986. Slam borrows heavily from the rhythms and wordplay of rap and hip-hop, as well as the stream of consciousness and metaphysical…

  15. Technological Advances and Information Education 1982-2007: Some Perspectives

    ERIC Educational Resources Information Center

    Guy, Fred

    2007-01-01

    The paper considers technological advances in relation to information education over the 25 years of existence of the journal, "Education for Information." Some key developments before 1980 such as the appearance of MARC and library co-operatives are mentioned along with key post-1980 developments including networking, the World Wide Web, and…

  16. Library Literacy. Teaching Behind the Screens: Practical Advice for a Practical World.

    ERIC Educational Resources Information Center

    Arp, Lori, Ed.; And Others

    1995-01-01

    Addresses the importance of effective screen and menu design for online public access catalogs, and the responsibility of the instruction librarian to learn required technological information, such as MARC format, in order to influence design. Other concerns for those involved in screen design include screens for gateways, system modules, local…

  17. Current Developments in Audiovisual Cataloging.

    ERIC Educational Resources Information Center

    Graham, Paul

    1985-01-01

    This paper highlights significant advances in audiovisual cataloging theory and practice: development of "Anglo-American Cataloging Rules" (second edition); revision of the MARC Films Format; and project to provide cataloging-in-publication for microcomputer software. Evolution of rules and practices as an outgrowth of needs of the community is…

  18. Saving the Time of the Library User through Subject Access Innovation: Papers in Honor of Pauline Atherton Cochrane.

    ERIC Educational Resources Information Center

    Wheeler, William J., Ed.

    This book contains the following papers in honor of Pauline Atherton Cochrane on subject access issues in library and information science: (1) "Obstacles in Progress in Mechanized Subject Access and the Necessity of a Paradigm Change" (Robert Fugmann); (2) "On MARC and the Nature of Text Searching: A Review of Pauline Cochrane's Inspirational…

  19. Extraction of phenolics from pomegranate peels

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The effects of different solvents, temperature conditions, solvent-solid ratios and particle sizes on solid-solvent extraction of the total phenolics, proanthocyanidins and flavonoids herein also referred to as antioxidant from pomegranate marc peel (PMP) was studied. Water, methanol, ethanol, aceto...

  20. Extending the Dewey Decimal Classification via Keyword Clustering: The Science Library Catalog Project.

    ERIC Educational Resources Information Center

    Rosenberg, Jason B.; Borgman, Christine L.

    1992-01-01

    Discusses the Science Library Catalog, an online catalog intended for use by children at the Los Angeles Public Library, and describes the process of reorganizing the MARC-based database by using clustering algorithms to extend the Dewey Decimal Classification. Examples of screen displays are included. (18 references) (LRW)

  1. Creating Balance in the New Age of Technology

    ERIC Educational Resources Information Center

    Herman, Jana Morgan

    2012-01-01

    Marc Prensky coined the term "digital native" in 2001 to describe those who have grown up with a constant interaction of technology, including television, video games, and the Internet (Prensky, 2001). For these people, many of them now in their twenties, life has always included the presence of screens--televisions, cell phones, iPods, video…

  2. Why Not a 2-Tier System?

    ERIC Educational Resources Information Center

    Jenkins, Rob

    2013-01-01

    In recent years, some very smart people--like Michael Berube, Marc Bousquet, Anthony Grafton, and William Pannapacker, to name a few--have offered on these pages their thoughts about how to fix graduate education and, by extension, the academic labor market, which, everyone seems to agree, has "unraveled". The author approaches this issue from a…

  3. Research and development program for the development of advanced time-temperature dependent constitutive relationships. Volume 2: Programming manual

    NASA Technical Reports Server (NTRS)

    Cassenti, B. N.

    1983-01-01

    The results of a 10-month research and development program for nonlinear structural modeling with advanced time-temperature constitutive relationships are presented. The implementation of the theory in the MARC nonlinear finite element code is discussed, and instructions for the computational application of the theory are provided.

  4. Map Metadata: Essential Elements for Search and Storage

    ERIC Educational Resources Information Center

    Beamer, Ashley

    2009-01-01

    Purpose: The purpose of this paper is to develop an understanding of the issues surrounding the cataloguing of maps in archives and libraries. An investigation into appropriate metadata formats, such as MARC21, EAD and Dublin Core with RDF, shows how particular map data can be stored. Mathematical map elements, specifically co-ordinates, are…

  5. PRRSV strain VR-2332 Nsp2 deletion mutants attenuate clinical symptoms in swine

    Technology Transfer Automated Retrieval System (TEKTRAN)

    PRRSV nonstructural protein 2 (nsp2) contains a N-terminal cysteine proteinase (PL2) domain, a middle hypervariable region and C-terminal putative transmembrane domain. We initially investigated the proteolytic processing of nsp2 PL2 in infected MARC-145 cells. A c-myc epitope was inserted into a de...

  6. H. Sapiens Digital: From Digital Immigrants and Digital Natives to Digital Wisdom

    ERIC Educational Resources Information Center

    Prensky, Marc

    2009-01-01

    As we move further into the 21st century, the digital native/digital immigrant paradigm created by Marc Prensky in 2001 is becoming less relevant. In this article, Prensky suggests that we should focus instead on the development of what he calls "digital wisdom." Arguing that digital technology can make us not just smarter but truly wiser, Prensky…

  7. Are Digital Natives a World-Wide Phenomenon? An Investigation into South African First Year Students' Use and Experience with Technology

    ERIC Educational Resources Information Center

    Thinyane, Hannah

    2010-01-01

    In 2001 Marc Prensky coined the phrase "digital natives" to refer to the new generation of students who have grown up surrounded by technology. His companion papers spurred large amounts of research, debating changes that are required to curricula and pedagogical models to cater for the changes in the student population. This article reports on a…

  8. E-Mail in Academia: Expectations, Use, and Instructional Impact

    ERIC Educational Resources Information Center

    Weiss, Meredith; Hanson-Baldauf, Dana

    2008-01-01

    The popularity of and reliance on emergent computer-mediated communication technologies such as instant messaging, blogs, and social networks have arguably widened the generation gap between faculty and traditional undergraduate students. Marc Prensky defined this generational technology divide by coining the terms "digital natives" and "digital…

  9. Teachers Teaching in the New Mediascape: Digital Immigrants or "Natural Born Cyborgs"?

    ERIC Educational Resources Information Center

    Adams, Catherine A.; Pente, Patti

    2011-01-01

    Schooled in an earlier time, educators are laboring to find meaningful purchase in new media environments, unable to match the fluency and sophistication of their "digital native" students. Yet is Marc Prensky's portrayal of teachers as "digital immigrants" really an accurate rendering of the today's situation? Drawing on phenomenological and…

  10. Le Planetaire (Planetary System)

    ERIC Educational Resources Information Center

    Francais dans le Monde, 1978

    1978-01-01

    A collection of interviews, articles, reviews and news notes of interest to teachers of French. The contents are: an interview with Marc Blancpain; reviews of instructional, cultural and reference materials; notes on items of current interest; and an annotated bibliography of reference, cultural and literary works, and recordings. (Text is in…

  11. Street Fiction: What Is It and What Does It Mean for English Teachers?

    ERIC Educational Resources Information Center

    Hill, Marc Lamont; Perez, Biany; Irby, Decoteau J.

    2008-01-01

    Street fiction is a popular new genre of novels that focus on contemporary urban life. Marc Lamont Hill, Biany Perez, and Decoteau J. Irby introduce this genre, describing what it is, who writes it, and who reads it. They also offer critiques of the genre and strategies for linking street fiction to the English classroom. (Contains 1 note.)

  12. Give 'Em What They Want: A One-Year Study of Unmediated Patron-Driven Acquisition of e-Books

    ERIC Educational Resources Information Center

    Fischer, Karen S.; Wright, Michael; Clatanoff, Kathleen; Barton, Hope; Shreeves, Edward

    2012-01-01

    In September 2009, the University of Iowa Libraries embarked on an experiment with patron-driven acquisition (PDA) of e-books with ebrary and YBP. An e-book-only PDA plan was initiated, entirely unmediated and with instantaneous access to the content. MARC records were loaded for each title, determined by our YBP approval profile and other…

  13. Varia. (Miscellany).

    ERIC Educational Resources Information Center

    Matthey, Marinette

    1996-01-01

    This collection of diverse research papers in linguistics includes: "La notion de tour de parole dans une perspective syntaxique" ("The Notion of Turn Taking from a Syntactic Perspective") (Jean-Marc Luscher, Sandrine Piaget, Christian Rubattel); "'Si tu me fais honneur d'un p'tit telephone demain matin ben je suis contente': Structure des…

  14. Automate Your Library in Two Years for under $4,000.

    ERIC Educational Resources Information Center

    Sherouse, Vicki M.

    1995-01-01

    Provides guidelines for automating a school library with limited funds and staff. Includes suggestions for preparation; finding equipment, choosing software, using MARC records, using volunteers for barcoding/loading records, the initial switch to an automated catalog, and continuing expenses and hardware upgrades. A sidebar lists costs for a…

  15. Inclusivity, Educators, and Non-Conformists

    ERIC Educational Resources Information Center

    Pinto, Laura Elizabeth; Pemberton, Andrea

    2016-01-01

    This case calls attention to some of the biases that teachers and leaders in school settings may carry when working with students whose appearance goes against the norm. It presents the experience of Lee-Ann, a vice principal, as she negotiates a conflict between a student and teacher, and is confronted by Marc, a guidance counselor, who…

  16. Physiological evaluation of a newly designed lever mechanism for wheelchairs.

    PubMed

    van der Woude, L H; Veeger, H E; de Boer, Y; Rozendal, R H

    1993-01-01

    Lever-propelled wheelchairs have been described as more efficient and less physically demanding than hand-rim-propelled wheelchairs. To evaluate a newly designed lever mechanism (MARC) in both one- and two-arm use, a series of wheelchair exercise tests were performed on a motor-driven treadmill. Eight able-bodied male subjects performed a standard exercise test in the prototype MARC, both in an asynchronic and a synchronic bimanual propelling mode and in an unilateral (left-sided) mode. Subsequently the subjects performed additional exercise tests in a conventional crank-to-rod lever mechanism with unilateral and bimanual propulsion and in a conventional hand rim wheelchair. Analysis of variance was used to study the effect of the different work modes upon power output and cardiorespiratory parameters statistically (p < 0.05). The MARC stood out well in comparison with the conventional lever design. The additional design features which are to be implemented (variable gearing, reverse gear) will make the MARC a useful wheelchair. One-arm wheelchair propulsion is a very strenuous form of locomotion, requiring careful consideration in terms of provision. Mechanical and ergonomic improvements are quite feasible in lever propulsion and may to a certain extent reduce this problem. To improve overall mobility of wheelchair-dependent subjects further, ergonomic and mechanical design improvements are very necessary in lever as well as hand-rim wheelchairs. A combined biomechanical and physiological research approach will help in the definition of design criteria and fitting guidelines. PMID:8169940

  17. Continuous and pulsed ultrasound-assisted extractions of antioxidants from pomegranate peel

    Technology Transfer Automated Retrieval System (TEKTRAN)

    There is a great demand for developing efficient extraction methods in order to reduce extraction time and increase the yield and activity of functional antioxidants. The yields, activities, and extraction kinetics of antioxidants from dry peel of pomegranate marc were studied using ultrasound assis...

  18. Continuous and pulsed ultrasound-assisted extractions of antioxidants from pomegranate peel

    Technology Transfer Automated Retrieval System (TEKTRAN)

    There is a great demand for developing efficient extraction methods in order to reduce extraction time and increase the yield and activity of functional antioxidants. The yields, activities, and extraction kinetics of antioxidants from dry peel of pomegranate marc were studied using ultrasound-assis...

  19. "I Can Do It": Minority Undergraduate Science Experiences and the Professional Career Choice.

    ERIC Educational Resources Information Center

    Hoyte, Robert M.; Collett, Jonathan

    1993-01-01

    National Institutes of Health programs supporting minority college students in biomedical research, the "Minority Access to Research Careers (MARC)" program and the "Minority Biomedical Research Support (MBRS)" program, offer an effective model of mentoring that can be replicated across disciplines. Changes in the way minorities are socialized…

  20. Bibliographic Control or Chaos: An Agenda for National Bibliographic Services in the 21st Century.

    ERIC Educational Resources Information Center

    Gorman, Michael

    This paper addresses bibliographic services in the 21st century. The paper begins by reviewing achievements of the past 30 years, including Universal Bibliographic Control (UBC), MARC, International Standard Bibliographic Description (ISBD), and the Anglo-American Cataloguing Rules, 2nd edition (AACR2). The cataloging of electronic resources is…

  1. Bulletin suisse de linguistique appliquee, 2003 (Swiss Bulletin for Applied Linguistics, 2003).

    ERIC Educational Resources Information Center

    Murray, Heather, Ed.

    2003-01-01

    This issue, written in English and French, focuses on the increasing role of English in Switzerland, as it affects both the general public and the education system. The articles include the following: "The Function of English in Swiss Advertisement" [written in French] (Marc Bonhomme); "Unpacking before Take-Off: English for Swiss Purposes in…

  2. Control of Cartographic Materials in Archives.

    ERIC Educational Resources Information Center

    Corsaro, James

    1990-01-01

    Discusses differences in archival and bibliographic description of maps and suggests options for developing standards in the control of cartographic archives. The automation of archival access using the MARC format for Archival and Manuscripts Control (AMC) is described, and examples of bibliographic records for maps are given. (11 references)…

  3. Selection enhanced estimates of marker effects on means and variances of beef tenderness

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Genetic marker associations from surveys of industry cattle populations have low frequencies of rare homozygous animals. Selection for calpain (CAPN1) and calpastatin (CAST) genetic markers was replicated in two cattle populations (Angus and MARC III) at the U.S. Meat Animal Research Center. These...

  4. Metadata Leadership

    ERIC Educational Resources Information Center

    Tennant, Roy

    2004-01-01

    Libraries must increasingly accommodate bibliographic records encoded with a variety of standards and emerging standards, including Dublin Core, MODS, and VRA Core. The problem is that many libraries still rely solely on MARC and AACR2. The best-trained professionals to lead librarians through the metadata maze are catalogers. Catalogers…

  5. The Future of Organizing Knowledge. Papers Presented at the Texas A&M University Libraries Centennial Academic Assembly, September 24, 1976.

    ERIC Educational Resources Information Center

    Texas A and M Univ., College Station. Library.

    The three papers presented at this assembly focused on communications technology and the information industry, organization of information, and development of the Machine-Readable Cataloging (MARC) system. "The Communications Revolution: America's Third Century Challenge" examines the growth of society from a pre- to a post-industrial society and…

  6. 78 FR 39832 - Price for the 2013 5-Star Generals Profile Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-02

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF THE TREASURY United States Mint Price for the 2013 5-Star Generals Profile Collection AGENCY: United States Mint... for the 2013 5-Star Generals Profile Collection. FOR FURTHER INFORMATION CONTACT: Marc Landry,...

  7. Adult Learning: A Key for the 21st Century. CONFINTEA V Background Papers (Hamburg, Germany, July 14-18, 1997).

    ERIC Educational Resources Information Center

    Adult Education and Development, 1997

    1997-01-01

    The following papers are included: "Foreword" (Jakob Horn, Paul Belanger); "Internationalization and Globalization" (Ove Korsgaard); "Adult Learning and the Challenges of the 21st Century" (Marc-Laurent Hazoume); "Diversity in Adult Education: Some Key Concepts in Minority and Indigenous Issues" (Linda King de Jardon); "The Culture of Peace: The…

  8. Are Adolescents Talking with Their Parents about Sex before Becoming Sexually Active? Fact Sheet

    ERIC Educational Resources Information Center

    Leuschner, Kristin

    2010-01-01

    This paper examines parent-child discussions of sexual behavior. It finds consistency in the timing and content of such discussions; however, many parents and children do not discuss key topics, such as birth control, before adolescents become sexually active. [This fact sheet is based on Megan K. Beckett, Marc N. Elliott, Steven Martino, David E.…

  9. Specifications for a COM Catalog Designed for Government Documents.

    ERIC Educational Resources Information Center

    Copeland, Nora S.; And Others

    Prepared in MARC format in accordance with the Ohio College Library Center (OCLC) standards, these specifications were developed at Colorado State University to catalog a group of government publications not listed in the Monthly Catalog of United States Publications. The resulting microfiche catalog produced through the OCLC Cataloging Subsystem…

  10. Microcomputers as Interfaces to Bibliographic Utilities (OCLC, RLIN, etc.).

    ERIC Educational Resources Information Center

    Genaway, David C.

    1983-01-01

    Discusses microcomputer interfacing systems which accept full MARC record from bibliographic utility, reformat and transform it into local library computer system format; illustrates how the TPS-400 interface works; outlines criteria for interface selection; indicates installation decisions; and notes limitation problems and benefits. Four…

  11. From Digital Natives to Digital Wisdom: Hopeful Essays for 21st Century Learning

    ERIC Educational Resources Information Center

    Prensky, Marc

    2012-01-01

    What can you learn on a cell phone? Almost anything! How does that concept fit with our traditional system of education? It doesn't. Best-selling author and futurist Marc Prensky's book of essays challenges educators to "reboot" and make the changes necessary to prepare students for 21st century careers. His "bottom-up" vision is based on…

  12. IFLA Core Programmes 1992/93. Revised Edition.

    ERIC Educational Resources Information Center

    International Federation of Library Associations and Institutions, The Hague (Netherlands).

    This brochure provides information on the background, objectives, location, management, funding, and current developments in 1992-93 International Federation of Library Associations (IFLA) core programs. The following programs are discussed: (1) Universal Bibliographic Control and International MARC (UBCIM), including work on the development of…

  13. Library Data Processing Feasibility Report.

    ERIC Educational Resources Information Center

    Mears, M. J.; And Others

    To establish the precise effects of using MARC II in West Sussex, and how it could assist the library staff were the goals of this feasibility study. It illustrates the development of the library catalog and associated systems as both realistic and practical. It indicates what kind of repercussions will be felt by the library and how it could…

  14. Research and Clinical Center for Child Development Annual Report, 1998-1999. No. 22.

    ERIC Educational Resources Information Center

    Chen, Shing-Jen, Ed.; Furutsuka, Takashi, Ed.; Shirotani, Yukari, Ed.

    This annual report presents several articles related to the work of the Clinical Center for Child Development at Hokkaido University in Sapporo, Japan. The articles are: (1) "Maternal Speech and Behavior during Mother-Infant Play: Comparison between the United States and Japan" (Sueko Toda, Marc H. Bornstein, and Hiroshi Azuma); (2) "The Effects…

  15. 78 FR 70414 - Pricing for the 2013 Coin and Chronicles Set-Theodore Roosevelt

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-25

    ... United States Mint Pricing for the 2013 Coin and Chronicles Set--Theodore Roosevelt AGENCY: United States Mint, Department of the Treasury. ACTION: Notice. SUMMARY: The United States Mint is announcing a price...: Marc Landry, Acting Associate Director for Sales and Marketing; United States Mint; 801 9th Street...

  16. A Current Awareness System Based on INSPEC Tapes

    ERIC Educational Resources Information Center

    And Others; Byrne, J. G.

    1972-01-01

    The paper describes TSAR, a current awareness or SDI system which has been developed for processing MARC records in general, but is particularly concerned with the INSPEC service. Some statistics on the frequency of occurrence of words and comments on data compression conclude the paper. (7 references) (Author/SJ)

  17. XML in Libraries.

    ERIC Educational Resources Information Center

    Tennant, Roy, Ed.

    This book presents examples of how libraries are using XML (eXtensible Markup Language) to solve problems, expand services, and improve systems. Part I contains papers on using XML in library catalog records: "Updating MARC Records with XMLMARC" (Kevin S. Clarke, Stanford University) and "Searching and Retrieving XML Records via the Web" (Theo van…

  18. 76 FR 35208 - Central New York Oil and Gas Company, LLC; Notice Extending Comment Period

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-16

    ... Energy Regulatory Commission Central New York Oil and Gas Company, LLC; Notice Extending Comment Period... environmental assessment (EA) for Central New York Oil and Gas Company, LLC's MARC I Hub Line Project proposed...'s eLibrary on that date. However, the Commission experienced technical problems reproducing...

  19. Treatment of red wine vinasses with non-conventional substrates for removing coloured compounds.

    PubMed

    Paradelo, R; Moldes, A B; Barral, M T

    2009-01-01

    Vinasses from the wine industry were treated with different materials to remove colour as a first step for treatment. Peat, several composts and red mud from bauxite refining were evaluated as adsorbents for coloured compounds, and their performances compared to that of activated charcoal. Among the materials assayed, grape marc vermicompost gave the best results, followed by peat. A sharp decrease of absorbance between 400-800 nm took place in vinasses after the treatments with these two materials, whereas the other substrates did not reduce the colour of the vinasses as did activate charcoal, grape marc vermicompost and peat. Moreover, grape marc vermicompost and peat were activated on high temperatures or grinding, producing better results in colour removal, although with negative effects on the electrical conductivity and nutrient concentration in the wastewater. The results of the treatment of vinasses with activated charcoal were reproduced and even overcame, in the case of the reduction of the optical density of vinasses at 665 nm, using grape marc vermicompost.

  20. 75 FR 52526 - Central New York Oil and Gas Company LLC; Notice of Filing

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-08-26

    ... Energy Regulatory Commission Central New York Oil and Gas Company LLC; Notice of Filing August 19, 2010. Take notice that on August 9, 2010, Central New York Oil and Gas Company LLC (CNYOG), Two Brush Creek... commitments to firm transportation capacity of 550,000 Dth/day. CNYOG proposes to place the MARC I Project...

  1. Integrating Electronic Resources into the Library Catalog: A Collaborative Approach.

    ERIC Educational Resources Information Center

    Herrera, Gail; Aldana, Lynda

    2001-01-01

    Describes a project at the University of Mississippi Libraries to catalog purchased electronic resources so that access to these resources is available only via the Web-based library catalog. Discusses collaboration between cataloging and systems personnel; and describes the MARC catalog record field that contains the information needed to locate…

  2. The Weakest Link: Library Catalogs.

    ERIC Educational Resources Information Center

    Young, Terrence E., Jr.

    2002-01-01

    Describes methods of correcting MARC records in online public access catalogs in school libraries. Highlights include in-house methods; professional resources; conforming to library cataloging standards; vendor services, including Web-based services; software specifically developed for record cleanup; and outsourcing. (LRW)

  3. The Texas Library Connection: Usage by and Concerns of School Librarians.

    ERIC Educational Resources Information Center

    Haynes, Elizabeth

    The Texas Library Connection (TLC) is a state-funded project that began in 1995. TLC is intended to provide a statewide electronic network for school libraries that provides a union database of school library holdings, access to commercial full-text databases, access to MARC cataloging records, and access to interlibrary loan functions. This paper…

  4. Research Libraries in OCLC: A Quarterly, Numbers 1-4, January-October 1981.

    ERIC Educational Resources Information Center

    Research Libraries in OCLC: A Quarterly, 1981

    1981-01-01

    The articles in these four issues include discussions of: the Research Libraries Advisory Committee to OCLC; Title II-C grants for bibliographic access/control research projects; cooperative cataloging costs via OCLC; a research project on online public access; an OCLC examination of the UK-MARC format; use of the Comprehensive Index (CINDEX) and…

  5. Will the Real Digital Native Please Stand Up?

    ERIC Educational Resources Information Center

    Waters, John K.

    2011-01-01

    A decade has passed since author, game designer, and educational thought leader Marc Prensky heralded the arrival of a new generation of students whose immersion in information technology distinguished them in fundamental ways from previous generations. Because they had spent their entire lives "surrounded by and using computers, videogames,…

  6. Use of an In Vitro, Nuclear Receptor Assay Panel to Characterize the Endocrine-Disrupting Activity Load of Wastewater Treatment Plant Effluent Extracts

    EPA Science Inventory

    Use of an In Vitro, Nuclear Receptor Assay Panel to Characterize the Endocrine-Disrupting Activity Load of Wastewater Treatment Plant Effluent Extracts Katie B. Paul 1.2, Ruth Marfil-Vega 1 Marc A. Mills3, Steve 0. Simmons2, Vickie S. Wilson4, Kevin M. Crofton2 10ak Rid...

  7. Diagnostic determination of melamine and related compounds in kidney tissue by liquid chromatography/tandem mass spectrometry.

    PubMed

    Filigenzi, Michael S; Puschner, Birgit; Aston, Linda S; Poppenga, Robert H

    2008-09-10

    In 2007, it was determined that melamine, ammeline, ammelide, and cyanuric acid (abbreviated as MARC for melamine and related contaminants) had been added to wheat gluten and rice protein that were subsequently incorporated into pet food. The consumption of food tainted by MARC compounds was implicated in numerous instances of renal failure in cats and dogs. A method for the analysis of MARC compounds in kidney tissue using high-performance liquid chromatography/tandem mass spectrometry (HPLC/MS/MS) has been developed. MARC analytes were extracted by homogenization of kidney tissue in 50/40/10 acetonitrile/water/diethylamine. The homogenate was centrifuged, and an aliquot of supernatant was diluted with acetonitrile, concentrated, and fortified with a stable isotope-labeled analogue of melamine. Analytes were detected using atmospheric pressure chemical ionization and multiple reaction monitoring. Quantitation of positive samples was performed using the internal standard method and five-point calibration curves ranging between 50 and 1000 ng/mL of each analyte. The method was validated by analysis of replicate kidney tissue samples fortified with the individual analytes and by analysis of kidney samples fortified with melamine cyanurate powder at two different concentrations. This method was successfully used for routine postmortem diagnosis of melamine toxicosis in animals. Melamine was also detected by this method in paraffin-embedded tissue from animals suspected to have died of melamine toxicosis. PMID:18652475

  8. Arthur. What Works Clearinghouse Intervention Report

    ERIC Educational Resources Information Center

    What Works Clearinghouse, 2006

    2006-01-01

    "Arthur," a book-based educational television program designed for children ages 4-8, is popular among preschool and kindergarten students. The program is based on the storybooks, by Marc Brown, about Arthur, an 8-year-old aardvark. Each show is 30 minutes in length and includes two stories involving characters dealing with moral issues. The show…

  9. Games as an Artistic Medium: Investigating Complexity Thinking in Game-Based Art Pedagogy

    ERIC Educational Resources Information Center

    Patton, Ryan M.

    2013-01-01

    This action research study examines the making of video games, using an integrated development environment software program called GameMaker, as art education curriculum for students between the ages of 8-13. Through a method I designed, students created video games using the concepts of move, avoid, release, and contact (MARC) to explore their…

  10. Improper Diagnosis, Reckless Treatment

    ERIC Educational Resources Information Center

    Mishel, Lawrence; Rothstein, Richard

    2007-01-01

    In the June "Kappan," Marc Tucker summarized the "Tough Choices" report, the sequel to a report issued in 1990 by a predecessor group, which attributed the nation's low productivity growth in the 1970s and 1980s to inadequate American schools. The authors critiqued it and charged Tucker with trying to stampede policy makers into adopting reckless…

  11. Chinese Lessons: Shanghai's Rise to the Top of the PISA League Tables

    ERIC Educational Resources Information Center

    Tucker, Marc S., Ed.

    2014-01-01

    Marc Tucker, President of the National Center on Education and the Economy, presents this compilation of interviews with top Chinese education leaders and international researchers exploring some of the policies and practices behind Shanghai's outstanding performance on PISA 2009 and PISA 2012. The interviews include perspectives from Kai-ming…

  12. Automating Small Libraries.

    ERIC Educational Resources Information Center

    Swan, James

    1996-01-01

    Presents a four-phase plan for small libraries strategizing for automation: inventory and weeding, data conversion, implementation, and enhancements. Other topics include selecting a system, MARC records, compatibility, ease of use, industry standards, searching capabilities, support services, system security, screen displays, circulation modules,…

  13. The m word

    NASA Astrophysics Data System (ADS)

    2012-04-01

    Marc Kuchner, an astrophysicist at NASA Goddard Space Flight Center, and author of a blog and a recent book titled Marketing for Scientists, talked to Nature Materials about his views on the progress of scientific business from Versailles in the 1700s to modern days.

  14. 78 FR 68151 - Quarterly Publication of Individuals, Who Have Chosen To Expatriate, as Required by Section 6039G

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-13

    ... RICHARD FRANCIS ALFARO LAURY MELO ALLAMON MARCUS MANFRED AMEMIYA SATOSHI AMUNDRUD RYAN MICHAEL ARESON JR... BALLMER YVONNE MARION BANDY TIMOTHY JOHN BARBAKOFF MICHAEL HERBERT BARON LISA BATAILLON MARC ALAIN ROBERT... JANETTE BERSON SIDONIE LIZA BESEN JOAN LORI BLIER MARVIN BODDEN BARRY JAY BOESCH MICHAEL RUDOLF...

  15. 75 FR 69158 - Quarterly Publication of Individuals, Who Have Chosen To Expatriate, as Required by Section 6039G

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-10

    ... Jerome P. Auger Judy Ann Auyang William C. Azhar Shariq Azrieli Stephanie Joyce Bachman Mary Arnold... Mary Cook Dennis Eugene Corbett Meryle Lynn Corbin Tamara Diane Costelo Michael Philip Costelo... Gorr Marc-Andrew George Grace John S. Graf Robert Henri Grau Joachim Gray Laurence Brian Gray...

  16. Chinese and Vietnamese strains of HP-PRRSV cause different pathogenic outcomes in United States high health swine

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An infectious clone of a highly pathogenic PRRSV strain from Vietnam (rSRV07) was prepared, analyzed and compared to Chinese highly pathogenic PRRSV rJXwn06 and US Type 2 prototype VR-2332 in order to examine the effects of virus phenotype and genotype on growth in MARC-145 cells, as well as the imp...

  17. Data Transfer Capabilities of CD-ROM Software, Part II.

    ERIC Educational Resources Information Center

    Jasco, Peter

    1991-01-01

    Describes and compares several exchange/transfer formats used to upload records into software host programs, including unstructured or plain ASCII; fixed field; delimited ASCII; tagged; MARC (Machine Readable Cataloging); and graphic. It is concluded that CD-ROM producers should strengthen the built-in output management of programs and offer…

  18. Bilingualism: Beyond Basic Principles. Multilingual Matters.

    ERIC Educational Resources Information Center

    Dewaele, Jean-Marc, Ed.; Housen, Alex, Ed.; Wei, Li, Ed.

    This collection of papers focuses on individual bilingualism and societal and educational phenomena. After "Introduction and Overview" (Jean-Marc Dewaele, Alex Housen, and Li Wei), 12 papers include: (1) "Who is Afraid of Bilingualism?" (Hugo Baetens Beardsmore); (2) "The Importance of being Bilingual" (John Edwards); (3) "Towards a More…

  19. Structural patterns of rhamnogalacturonans modulating Hsp-27 expression in cultured human keratinocytes.

    PubMed

    Gloaguen, Vincent; Krausz, Pierre; Brudieux, Véronique; Closs, Brigitte; Leroy, Yves; Guerardel, Yann

    2008-05-27

    Polysaccharide extracts were obtained from chestnut bran (Castanea sativa), grape marc (Vitis vinifera) and apple marc (Malus spp.) and fractionated by size exclusion chromatography after endopolygalacturonase degradation. Compositional and linkage analyses by GC and GC-MS showed the characteristic rhamnogalacturonan structure with specific arabinan (apple marc) and type II arabinogalactan (chestnut bran, grape marc) side chains. Type II arabinogalactan rhamnogalacturonan from chestnut bran significantly stimulated the in vitro differentiation of human keratinocytes, giving evidence of a tight structure-function relationship. This molecule comprises short and ramified 3- and 3,6-beta- D-galactan and 5- and 3,5-alpha-L-arabinan side chains, but also contains significant amounts of t-Xyl and 4-Xyl with a characteristic 2:1 ratio. Enzymatic hydrolysis of this polysaccharide produced fragments of lower molecular weight with unchanged xylose content which conserved the same ability to stimulate human keratinocyte differentiation. It could be then speculated that dimeric xylosyl-xylose and/or longer oligomeric xylose side chains attached to a galacturonan and closely associated to hairy rhamno-galacturonan domains are essential patterns that could determine the biological activity of pectins.

  20. Estimates of epistatic and pleiotropic effects of casein alpha s1 (CSN1S1) and thyroglobulin (TG) genetic markers on beef heifer performance traits enhanced by selection

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Genetic marker effects and type of inheritance are estimated with poor precision when minor marker allele frequencies are low. A stable composite population (MARC II) was subjected to marker assisted selection for two years to equalize CSN1S1 and TG genetic marker frequencies to evaluate the epista...

  1. Form Subdivisions: Their Identification and Use in LCSH.

    ERIC Educational Resources Information Center

    O'Neill, Edward T.; Chan, Lois Mai; Childress, Eric; Dean, Rebecca; El-Hoshy, Lynn M.; Vizine-Goetz, Diane

    2001-01-01

    Discusses form subdivisions as part of Library of Congress Subject Headings (LCSH) and the MARC format, which did not have a separate subfield code to identify form subdivisions. Describes the development of an algorithm to identify form subdivisions and reports results of an evaluation of the algorithm. (LRW)

  2. Syllabus for Use in Russian Literature.

    ERIC Educational Resources Information Center

    Cernonok, Jevgenij

    This syllabus outlines a two semester course to accompany the basic textbook: THE EPIC OF RUSSIAN LITERATURE by Marc Slonim. An introduction to the guide gives a brief summary of the history of Russian literature and objectives of the course are stated, defining concepts and understandings to be developed. In addition, teaching techniques are…

  3. An Electronic Finding Aid Using Extensible Markup Language (XML) and Encoded Archival Description (EAD).

    ERIC Educational Resources Information Center

    Chang, May

    2000-01-01

    Describes the development of electronic finding aids for archives at the University of Illinois, Urbana-Champaign that used XML (extensible markup language) and EAD (encoded archival description) to enable more flexible information management and retrieval than using MARC or a relational database management system. EAD template is appended.…

  4. Viewing History through a Computer Window.

    ERIC Educational Resources Information Center

    Patterson, Berniece

    1998-01-01

    Argues that students should be competent in creating original art on the computer. Presents a lesson using "ClarisWorks" for the Macintosh computer that asks student to create original portrayals of a landmark in a cubist style. Profiles the work of Marc Chagall and his contributions to cubism. (DSK)

  5. Rate of Maturing and Proportion of Mature Body Weight at Puberty of Crossbred Cows

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cows born (1999 – 2000) resulting from AI breeding Hereford (n = 58), Angus (n = 61), Red Angus (n = 70), Simmental (n = 74), Limousin (n = 80), Charolais (n = 74), or Gelbvieh (n = 78) bulls to Angus (A; n = 69), Hereford (H; n = 173), or MARC III composite (M; n = 253) cows were weighed 6 times as...

  6. A Country's Hope: The Haiti Scholarship Program

    ERIC Educational Resources Information Center

    Anderson, Jennifer R.

    2007-01-01

    The Haiti Scholarship Program is a USAID-funded effort managed by the American Institutes for Research (AIR) and implemented by local Haitian non-profit organization Le Fonds de Parrainage National (FPN) to provide scholarship support to more than 15,000 students in the five Haitian cities of Petit-Goave, Port-au-Prince, Saint-Marc, Gonaives, and…

  7. Cataloging Sound Recordings Using Archival Methods.

    ERIC Educational Resources Information Center

    Thomas, David H.

    1990-01-01

    Discusses the processing and cataloging of archival sound recording collections. The use of "Anglo American Cataloguing Rules, 2nd edition" (AACR 2) and "Archives, Personal Papers and Manuscripts" (APPM) is explained, the MARC format for Archival and Manuscripts Control (AMC) is described, finding aids and subject indexing are discussed, and…

  8. Educating Archivists for Automation.

    ERIC Educational Resources Information Center

    Weber, Lisa B.

    1988-01-01

    Archivists indicate they want to learn more about automation in archives, the MARC AMC (Archival and Manuscripts Control) format, and emerging computer technologies; they look for educational opportunities through professional associations, publications, and college coursework; future archival automation education needs include standards, shared…

  9. Clay Tablets to Micro Chips: The Evolution of Archival Practice into the Twenty-First Century.

    ERIC Educational Resources Information Center

    Hannestad, Stephen E.

    1991-01-01

    Describes archival concepts and theories and their evolution in recent times. Basic archival functions--appraisal, arrangement, description, reference, preservation, and publication--are introduced. Early applications of automation to archives (including SPINDEX, NARS-5, NARS-A-1, MARC AMC, presNET, CTRACK, PHOTO, and DIARY) and automation trends…

  10. New Promise for the Universal Control of Recorded Knowledge.

    ERIC Educational Resources Information Center

    Smiraglia, Richard P.

    1990-01-01

    Discusses bibliographic and archival cataloging traditions and provides an overview for this issue, which focuses on the use of the MARC format for Archival and Manuscripts Control (AMC). Knowledge control is discussed, similarities and differences between archival and bibliographic control are related, and directions for future work are…

  11. The American Archival Profession and Information Technology Standards.

    ERIC Educational Resources Information Center

    Cox, Richard J.

    1992-01-01

    Discussion of the use of standards by archivists highlights the U.S. MARC AMC (Archives-Manuscript Control) format for reporting archival records and manuscripts; their interest in specific standards being developed for the OSI (Open Systems Interconnection) reference model; and the management of records in electronic formats. (16 references) (LAE)

  12. Assessing Information on the Internet: Toward Providing Library Services for Computer-Mediated Communication. A Final Report.

    ERIC Educational Resources Information Center

    Dillon, Martin; And Others

    The Online Computer Library Center Internet Resource project focused on the nature of electronic textual information available through remote access using the Internet and the problems associated with creating machine-readable cataloging (MARC) records for these objects using current USMARC format for computer files and "Anglo-American Cataloguing…

  13. 76 FR 23322 - Change in Bank Control Notices; Acquisitions of Shares of a Bank or Bank Holding Company

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-26

    ...; Catherine Denise Kasling DeWitt of Hughes Springs, Texas; Misty Morgan Lake of Hughes Springs, Texas; Randall Marc Morgan of Hughes Springs, Texas; Sarah Virginia Kasling Shelton of Hughes Springs, Texas and... Federal Reserve System, April 21, 2011. Robert deV. Frierson, Deputy Secretary of the Board. BILLING...

  14. Documents to the People--Access through the Automated Catalog.

    ERIC Educational Resources Information Center

    Bolner, Myrtle Smith; Kile, Barbara

    1991-01-01

    Discussion of the need for bibliographic control of U.S. government documents in depository libraries focuses on a project that upgraded the GPO/MARC bibliographic tapes to permit documents to be included in public access catalogs. The roles of the participants are described, including MARCIVE, Inc., Louisiana State University, Rice University,…

  15. From Catalog to Web: Desktop Access to Sandia Technical Reports.

    ERIC Educational Resources Information Center

    Stoecker, Nora K.; Alford, Dixie L.

    1998-01-01

    Describes the processes developed in the Sandia National Laboratories (a Department of Energy multiprogram national laboratory) Technical Library to provide and improve desktop access to Sandia-generated documents. Discusses procedures for cataloging these electronic reports, including identification of the bibliographic information and MARC tags…

  16. Helping Aged Victims of Crime (the HAVoC Study): Common Crime, Older People and Mental Illness--ERRATUM.

    PubMed

    Serfaty, Marc; Ridgewell, Anna; Drennan, Vari; Brewin, Chris R; Wright, Anwen; Laycock, Gloria; Blanchard, Martin

    2016-03-01

    The author list previously published for this article was incomplete when received by the journal. It should also have included Gerard Leavey, University College London, UK, as an author, as follows: Marc Serfaty, Anna Ridgewell, Vari Drennan, Chris R. Brewin, Gerard Leavey, Anwen Wright, Gloria Laycock, Martin Blanchard.

  17. NACC Newsletter. Wonder: Newsletter of the Nature Action Collaborative for Children

    ERIC Educational Resources Information Center

    Wijffels, Bowine; Veekamp, Marc; Popat, Swati

    2010-01-01

    This newsletter contains two articles: (1) "Experiencing Nature: An Opportunity for Pedagogic Quality" by Bowine Wijffels and Marc Veekamp; and (2) "There's Nature in Our Nature!" by Swati Popat. In the first article, the authors describe their experiences as project partners, discuss the design of nature experiencing for children's day care…

  18. The Language Universals Phonological Archiving Project: 1971 - 1972. Working Papers on Language Universals, No. 9.

    ERIC Educational Resources Information Center

    Sherman, Don; Vihman, Marilyn

    This project was designed to develop machine-searchable files of linguistic data to be interrogated by researchers looking for patterns, examples, and other kinds of evidence bearing on language universals. This preliminary report of the project focuses on a detailed description of the computer program system used, MARC (Machine-Readable Catalog),…

  19. CD-ROM and Libraries.

    ERIC Educational Resources Information Center

    Murphy, Brower

    1985-01-01

    The Compact Disc-Read Only Memory (CD-ROM) data format is explained and illustrated, noting current and potential applications. The "5-inch" compact laserdisc is described and photographs of an IBM PC/Hitachi CD-ROM system adopted by Library Corporation to support its MARC database--BiblioFile--are presented. Screen displays for BiblioFile are…

  20. An Investigation into the Economics of Retrospective Conversion Using a CD-ROM System.

    ERIC Educational Resources Information Center

    Co, Francisca K.

    This study compares the cost effectiveness of using a CD-ROM (compact disk read-only memory) system known as Bibliofile and the currently used OCLC (Online Computer Library Center)-based method to convert a university library's shelflist into a machine-readable database in the MARC (Machine-Readable Cataloging) format. The cost of each method of…

  1. An Evaluation of Implementing Koha in a Chinese Language Environment

    ERIC Educational Resources Information Center

    Chang, Naicheng; Tsai, Yuchin; Hopkinson, Alan

    2010-01-01

    Purpose: The purpose of this paper is to evaluate issues of different scripts in the same record (in MARC21 and Chinese machine-readable cataloguing (CMARC)) and Chinese internal codes (i.e. double-byte character set) when implementing Koha. It also discusses successful efforts in promoting the adoption of Koha in Taiwan, particularly the…

  2. Sung Solecisms: Hip Hop as Non-Prescriptive Pedagogy

    ERIC Educational Resources Information Center

    Biggs, Cynthia D.

    2011-01-01

    Does the music idiom commonly known as rap music have educational merit? With its harshest critics lambasting it with connotations that equate it with stupidity, gun culture, jail culture, or non-intellectual culture, could there be a pedagogical link after all? Dr. Marc Lamont Hill, Associate Professor of English Education and Anthropology at…

  3. Beats, Rhymes, and Classroom Life: Hip-Hop Pedagogy and the Politics of Identity

    ERIC Educational Resources Information Center

    Hill, Marc Lamont

    2009-01-01

    For over a decade, educators have looked to capitalize on the appeal of hip-hop culture, sampling its language, techniques, and styles as a way of reaching out to students. But beyond a fashionable hipness, what does hip-hop have to offer our schools? In this revelatory new book, Marc Lamont Hill shows how a serious engagement with hip-hop culture…

  4. Temperature and humidity control in indirect calorimeter chambers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A three-chamber, indirect calorimeter has been a part of the Environmental Laboratory at the U.S. Meat Animal Research Center (MARC) for over 25 yr. Corrosion of the animal chambers and unreliable temperature control forced either major repairs or complete replacement. There is a strong demand for...

  5. Opportunities and Challenges of Bilingualism. Contributions to the Sociology of Language.

    ERIC Educational Resources Information Center

    Wei, Li, Ed.; Dewaele, Jean-Marc, Ed.; Housen, Alex, Ed.

    This collection of papers examines, from an international perspective, opportunities and challenges of societal bilingualism in the new millennium. The 18 papers include the following: "Introduction: Opportunities and Challenges of Bilingualism" (Li Wei, Jean-Marc Dewaele, and Alex Housen); "'Holy Languages' in the Context of Societal…

  6. Introducing ORACLE: Library Processing in a Multi-User Environment.

    ERIC Educational Resources Information Center

    Queensland Library Board, Brisbane (Australia).

    Currently being developed by the State Library of Queensland, Australia, ORACLE (On-Line Retrieval of Acquisitions, Cataloguing, and Circulation Details for Library Enquiries) is a computerized library system designed to provide rapid processing of library materials in a multi-user environment. It is based on the Australian MARC format and fully…

  7. A UNIMARC Bibliographic Format Database for ABCD

    ERIC Educational Resources Information Center

    Megnigbeto, Eustache

    2012-01-01

    Purpose: ABCD is a web-based open and free software suite for library management derived from the UNESCO CDS/ISIS software technology. The first version was launched officially in December 2009 with a MARC 21 bibliographic format database. This paper aims to detail the building of the UNIMARC bibliographic format database for ABCD.…

  8. Minorities Access to Research Careers.

    ERIC Educational Resources Information Center

    American Association of State Colleges and Universities, Washington, DC.

    The Minorities Access to Research Careers (MARC) program at Hunter College, New York is designed to provide an in-depth 2-year research training experience for minority students in order to prepare them for graduate school and eventual research careers in alcohol, drug abuse, and mental health fields. The target groups include Blacks, Hispanics,…

  9. Are we born moral?

    PubMed

    Gray, John

    2007-05-10

    Reviews of: Hauser, Marc D. Moral minds: how nature designed our universal sense of right and wrong. (New York: Ecco, 2006); and Waal, F.B.M. de. Primates and philosophers: how morality evolved. (Princeton, N.J. : Princeton University Press, 2006).

  10. Agro-industrial waste to solid biofuel through hydrothermal carbonization.

    PubMed

    Basso, Daniele; Patuzzi, Francesco; Castello, Daniele; Baratieri, Marco; Rada, Elena Cristina; Weiss-Hortala, Elsa; Fiori, Luca

    2016-01-01

    In this paper, the use of grape marc for energy purposes was investigated. Grape marc is a residual lignocellulosic by-product from the winery industry, which is present in every world region where vine-making is addressed. Among the others, hydrothermal carbonization was chosen as a promising alternative thermochemical process, suitable for the treatment of this high moisture substrate. Through a 50 mL experimental apparatus, hydrothermal carbonization tests were performed at several temperatures (namely: 180, 220 and 250 °C) and residence times (1, 3, 8 h). Analyses on both the solid and the gaseous phases obtained downstream of the process were performed. In particular, solid and gas yields versus the process operational conditions were studied and the obtained hydrochar was evaluated in terms of calorific value, elemental analysis, and thermal stability. Data testify that hydrochar form grape marc presents interesting values of HHV (in the range 19.8-24.1 MJ/kg) and physical-chemical characteristics which make hydrochar exploitable as a solid biofuel. In the meanwhile, the amount of gases produced is very small, if compared to other thermochemical processes. This represents an interesting result when considering environmental issues. Statistical analysis of data allows to affirm that, in the chosen range of operational conditions, the process is influenced more by temperature than residence time. These preliminary results support the option of upgrading grape marc toward its energetic valorisation through hydrothermal carbonization.

  11. Educating for Citizenship: What Should Political Scientists Be Teaching?

    ERIC Educational Resources Information Center

    Thompson, Dennis F.; And Others

    1984-01-01

    What political scientists should be teaching undergraduates to prepare them for citizenship is discussed in five articles by Dennis F. Thompson; Nancy C. M. Hartsock; Wilson Carey McWilliams and Marc K. Landy; Harvey C. Mansfield, Jr.; and Mary Cornelia Porter and Corey Venning. (RM)

  12. Using a Text-Processing Language for Serial Record Conversion.

    ERIC Educational Resources Information Center

    Lowrey, James R.; Hardiman, Paul V.

    1985-01-01

    Describes the automation of the machine-readable library serials file at Golda Meir Library, University of Wisconsin-Milwaukee. Highlights include purchase of the PERLINE/BOOKLINE system including a MARC interface module called MICA, five main aspects of the problem posed by the library serials conversion project, and use of the text-processing…

  13. Library Information-Processing System

    NASA Technical Reports Server (NTRS)

    1985-01-01

    System works with Library of Congress MARC II format. System composed of subsystems that provide wide range of library informationprocessing capabilities. Format is American National Standards Institute (ANSI) format for machine-readable bibliographic data. Adaptable to any medium-to-large library.

  14. Communication et pragmatique interculturelles (Intercultural Communication and Pragmatics).

    ERIC Educational Resources Information Center

    Singy, Pascal, Ed.; Trudgill, Peter, Ed.

    1997-01-01

    This collection of articles on intercultural communication and pragmatics includes: "Peut-on traduire la publicite? L'exemple des annonces romandes et alemaniques" ("Does Advertising Translate? The Example of Romansch and German Ads") (Marc Bonhomme, Michael Rinn); "La construction de l'image de l'autre dans l'interaction. Des coulisses de…

  15. IFLA General Conference, 1989. Introduction to IFLA's Core Programmes; Contributed Papers; Plenary Session Papers. Booklet 00.

    ERIC Educational Resources Information Center

    International Federation of Library Associations, The Hague (Netherlands).

    This collection contains three papers providing an introduction to the International Federation of Library Associations (IFLA) Core Programs, four contributed papers, and two Plenary Session papers: (1) "The Universal Bibliographic Control and International MARC (Machine Readable Cataloging Formats) Program" (Winston D. Roberts); (2) "Le Programme…

  16. The Nature of the Terrorism Threat

    ERIC Educational Resources Information Center

    Goldstein, Evan R., Comp.

    2008-01-01

    This article describes how Bruce Hoffman and Marc Sageman, two prominent scholars of terrorism, square off over whether Al Qaeda remains the primary global terrorist threat. The dispute began in the pages of "Foreign Affairs," where Hoffman, a professor in the security-studies program at Georgetown University, wrote a withering review of Sageman's…

  17. College Valuations

    ERIC Educational Resources Information Center

    Rubin, Marc

    2015-01-01

    Using the data published by "Boston" magazine and the New England Board of Higher Education's "2016 Guide to New England Colleges & Universities," Marc Rubin examined higher education institutions (HEIs) prices, defined as tuition and plus fees, as a function of several independent factors including: (1) Percentage of…

  18. Beyond Technology, How to Spark Kids' Passions

    ERIC Educational Resources Information Center

    Barseghian, Tina

    2012-01-01

    Helping kids find their passion outside the confines of standardized curriculum and testing can be a messy endeavor, but worth the challenge. Marc Prensky, author of "BRAIN GAIN: Technology and the Quest for Digital Wisdom," said that, rather than finding different ways for everyone to do the same curriculum, educators need to allow individual…

  19. Travaux Neuchatelois de Linguistique (TRANEL) (Neuchatel Working Papers in Linguistics), Volume 14.

    ERIC Educational Resources Information Center

    Py, Bernard, Ed.; Rubattel, Christian, Ed.

    1989-01-01

    Three papers in linguistics, all in French, are presented. "La delocutivite lexicale en francais standard: esquisse d'un modele derivationnel" ("Lexical Delocutivity in Standard French: Sketch of a Derivational Model"), by Marc Bonhomme, examines the process by which certain expressions become neologisms. "La terminologie de l'Essai de grammaire…

  20. A Clean Bill of Health

    ERIC Educational Resources Information Center

    Matthews, Frank

    2010-01-01

    This article presents an interview with Dr. Marc Nivet. Dr. Nivet joined the Association of American Medical Colleges (AAMC) in June as the chief diversity officer, tasked with developing a strategic vision for AAMC's diversity efforts and overseeing programs designed to improve diversity in medical education and promote equity in health care. In…

  1. Subject Access Project. Second Quarterly Progress Report.

    ERIC Educational Resources Information Center

    Atherton, Pauline

    The Subject Access Project second quarterly report for September to December 1976 summarized in-progress work to improve subject access to monographs. Activities include: (1) analysis of book indexes and tables of contents for terms to augment MARC subject description; (2) analysis of additional book sections--e.g., maps, illustrations, charts,…

  2. Early British Printing Meets the Electronic Age: A Large-Scale Digitization Case Study.

    ERIC Educational Resources Information Center

    McLean, Austin J.

    2001-01-01

    Describes the development of production requirements and technical specifications for a microfilm-to-digital conversion project that digitized early English books printed between 1475-1700. Discusses the Internet interface used for access; MARC records; indexing; partnerships with libraries and universities; scanning; database design; and quality…

  3. EXPRESSION OF EGFR AND ITS LIGANDS IN RESPONSE TO TCDD OR RETINOIC ACID IN EGF AND TGFALPHA KO FETAL MOUSE PALATE

    EPA Science Inventory

    EXPRESSION OF EGFR AND ITS LIGANDS IN RESPONSE TO TCDD OR RETINOIC ACID IN EGF AND TGF" KO FETAL MOUSE PALATE. Abbott, Barbara D.1; Boyd, Hadiya2; Wood, Carmen1; Held, Gary1. 1.EPA, ORD, NHEERL, RTD, US EPA, Research Triangle Park, NC, USA. 2MARC Program, NCCU, Durham, NC, USA. <...

  4. Chroniclers and Critics

    ERIC Educational Resources Information Center

    Standish, Paul

    2008-01-01

    In recent papers by Marc Depaepe and Daniel Trohler, philosophers of education are criticised for their tendency to address eternal questions in pursuit of timeless truths, with insufficient awareness of the genesis of the ideas they refer to and insensitivity to historical context. The suspicion of "presentism" in their approach is reinforced by…

  5. Capability of a Mobile Monitoring System to Provide Real-Time Data Broadcasting and Near Real-Time Source Attribution

    NASA Astrophysics Data System (ADS)

    Erickson, M.; Olaguer, J.; Wijesinghe, A.; Colvin, J.; Neish, B.; Williams, J.

    2014-12-01

    It is becoming increasingly important to understand the emissions and health effects of industrial facilities. Many areas have no or limited sustained monitoring capabilities, making it difficult to quantify the major pollution sources affecting human health, especially in fence line communities. Developments in real-time monitoring and micro-scale modeling offer unique ways to tackle these complex issues. This presentation will demonstrate the capability of coupling real-time observations with micro-scale modeling to provide real-time information and near real-time source attribution. The Houston Advanced Research Center constructed the Mobile Acquisition of Real-time Concentrations (MARC) laboratory. MARC consists of a Ford E-350 passenger van outfitted with a Proton Transfer Reaction Mass Spectrometer (PTR-MS) and meteorological equipment. This allows for the fast measurement of various VOCs important to air quality. The data recorded from the van is uploaded to an off-site database and the information is broadcast to a website in real-time. This provides for off-site monitoring of MARC's observations, which allows off-site personnel to provide immediate input to the MARC operators on how to best achieve project objectives. The information stored in the database can also be used to provide near real-time source attribution. An inverse model has been used to ascertain the amount, location, and timing of emissions based on MARC measurements in the vicinity of industrial sites. The inverse model is based on a 3D micro-scale Eulerian forward and adjoint air quality model known as the HARC model. The HARC model uses output from the Quick Urban and Industrial Complex (QUIC) wind model and requires a 3D digital model of the monitored facility based on lidar or industrial permit data. MARC is one of the instrument platforms deployed during the 2014 Benzene and other Toxics Exposure Study (BEE-TEX) in Houston, TX. The main goal of the study is to quantify and explain the

  6. The Involvement of Mitochondrial Amidoxime Reducing Components 1 and 2 and Mitochondrial Cytochrome b5 in N-Reductive Metabolism in Human Cells*

    PubMed Central

    Plitzko, Birte; Ott, Gudrun; Reichmann, Debora; Henderson, Colin J.; Wolf, C. Roland; Mendel, Ralf; Bittner, Florian; Clement, Bernd; Havemeyer, Antje

    2013-01-01

    The mitochondrial amidoxime reducing component mARC is a recently discovered molybdenum enzyme in mammals. mARC is not active as a standalone protein, but together with the electron transport proteins NADH-cytochrome b5 reductase (CYB5R) and cytochrome b5 (CYB5), it catalyzes the reduction of N-hydroxylated compounds such as amidoximes. The mARC-containing enzyme system is therefore considered to be responsible for the activation of amidoxime prodrugs. All hitherto analyzed mammalian genomes code for two mARC genes (also referred to as MOSC1 and MOSC2), which share high sequence similarities. By RNAi experiments in two different human cell lines, we demonstrate for the first time that both mARC proteins are capable of reducing N-hydroxylated substrates in cell metabolism. The extent of involvement is highly dependent on the expression level of the particular mARC protein. Furthermore, the mitochondrial isoform of CYB5 (CYB5B) is clearly identified as an essential component of the mARC-containing N-reductase system in human cells. The participation of the microsomal isoform (CYB5A) in N-reduction could be excluded by siRNA-mediated down-regulation in HEK-293 cells and knock-out in mice. Using heme-free apo-CYB5, the contribution of mitochondrial CYB5 to N-reductive catalysis was proven to strictly depend on heme. Finally, we created recombinant CYB5B variants corresponding to four nonsynonymous single nucleotide polymorphisms (SNPs). Investigated mutations of the heme protein seemed to have no significant impact on N-reductive activity of the reconstituted enzyme system. PMID:23703616

  7. Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids

    NASA Astrophysics Data System (ADS)

    Gali, Adam; Demján, Tamás; Vörös, Márton; Thiering, Gergő; Cannuccia, Elena; Marini, Andrea

    2016-04-01

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born-Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron-vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron-vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born-Oppenheimer approximation. Moreover, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn-Teller effect.

  8. How large are nonadiabatic effects in atomic and diatomic systems?

    SciTech Connect

    Yang, Yubo; Kylänpää, Ilkka; Tubman, Norm M.; Krogel, Jaron T.; Hammes-Schiffer, Sharon; Ceperley, David M.

    2015-09-29

    With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. Here, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. Our report shows the ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to be nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.

  9. How large are nonadiabatic effects in atomic and diatomic systems?

    DOE PAGES

    Yang, Yubo; Kylänpää, Ilkka; Tubman, Norm M.; Krogel, Jaron T.; Hammes-Schiffer, Sharon; Ceperley, David M.

    2015-09-29

    With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. Here, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. Our report shows the ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

  10. Periodic orbits of the hydrogen molecular ion and their quantization

    SciTech Connect

    Duan, Y.; Yuan, J.; Bao, C.

    1995-11-01

    In a classical study of the hydrogen molecular ion beyond the Born-Oppenheimer approximation (BOA), we have found that segments of trajectories resemble that of the Born-Oppenheimer approximation periodic orbits. The importance of this fact to the classical understanding of chemical bonding leads us to a systematic study of the periodic orbits of the planar hydrogen molecular ion within the BOA. Besides introducing a classification scheme for periodic orbits, we discuss the convergence properties of families of periodic orbits and their bifurcation patterns according to their types. Semiclassical calculations of the density of states based on these periodic orbits yield results in agreement with the exact quantum eigenvalues of the hydrogen molecular ion system.

  11. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    NASA Astrophysics Data System (ADS)

    Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R.; Hildenbrand, Heiko; Engel, Volker

    2015-07-01

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  12. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion.

    PubMed

    Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R; Hildenbrand, Heiko; Engel, Volker

    2015-07-28

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  13. The Aftermath of the Fukushima Daiichi Accident: a Perspective from the British Embassy in Tokyo.

    PubMed

    Oppenheim, R J; Franklin, K C

    2016-04-01

    The British Embassy in Tokyo was at the heart of providing information in the immediate aftermath of the Fukushima Daiichi accident. Richard Oppenheim, who was present at the time, and Keith Franklin, who joined the Embassy shortly afterwards, give their perspectives on communicating information on radiation to the public and what lessons can be learned. Richard Oppenheim was head of the Climate Change and Energy team at the British Embassy in Tokyo from 2011 to 2015 and part of the Embassy team responding to the crisis. He travelled to Sendai on 12 March 2011. Keith Franklin has been on secondment to the British Embassy in Tokyo from the National Nuclear Laboratory since the accident at Fukushima Daiichi.

  14. First Principle Predictions of Isotopic Shifts in H2O

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Kwak, Dochan (Technical Monitor)

    2002-01-01

    We compute isotope independent first and second order corrections to the Born-Oppenheimer approximation for water and use them to predict isotopic shifts. For the diagonal correction, we use icMRCI wavefunctions and derivatives with respect to mass dependent, internal coordinates to generate the mass independent correction functions. For the non-adiabatic correction, we use scaled SCF/CIS wave functions and a generalization of the Handy method to obtain mass independent correction functions. We find that including the non-adiabatic correction gives significantly improved results compared to just including the diagonal correction when the Born-Oppenheimer potential energy surface is optimized for H2O-16. The agreement with experimental results for deuterium and tritium containing isotopes is nearly as good as our best empirical correction, however, the present correction is expected to be more reliable for higher, uncharacterized levels.

  15. Electron–vibration coupling induced renormalization in the photoemission spectrum of diamondoids

    PubMed Central

    Gali, Adam; Demján, Tamás; Vörös, Márton; Thiering, Gergő; Cannuccia, Elena; Marini, Andrea

    2016-01-01

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Moreover, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect. PMID:27103340

  16. Multichannel quantum defect theory for polar molecules

    NASA Astrophysics Data System (ADS)

    Elfimov, Sergei V.; Dorofeev, Dmitrii L.; Zon, Boris A.

    2014-02-01

    Our work is devoted to developing a general approach for nonpenetrating Rydberg states of polar molecules. We propose a method to estimate the accuracy of calculation of their wave functions and quantum defects. Basing on this method we estimate the accuracy of Born-Oppenheimer (BO) and inverse Born-Oppenheimer (IBO) approximations for these states. This estimation enables us to determine the space and energy regions where BO and IBO approximations are valid. It depends on the interplay between l coupling (due to dipole potential of the core) and l uncoupling (due to rotation the core). Next we consider the intermediate region where both BO and IBO are not valid. For this intermediate region we propose a modification of Fano's multichannel quantum defect theory to match BO and IBO wave functions and show that it gives more reliable results. They are demonstrated on the example of SO molecule.

  17. An isotopic mass effect on the intermolecular potential

    DOE PAGES

    Herman, Michael F.; Currier, Robert Patrick; Clegg, Samuel M.

    2015-09-28

    The impact of isotopic variation on the electronic energy and intermolecular potentials is often suppressed when calculating isotopologue thermodynamics. Intramolecular potential energy surfaces for distinct isotopologues are in fact equivalent under the Born–Oppenheimer approximation, which is sometimes used to imply that the intermolecular interactions are independent of isotopic mass. In this paper, the intermolecular dipole–dipole interaction between hetero-nuclear diatomic molecules is considered. It is shown that the intermolecular potential contains mass-dependent terms even though each nucleus moves on a Born–Oppenheimer surface. Finally, the analysis suggests that mass dependent variations in intermolecular potentials should be included in comprehensive descriptions of isotopologuemore » thermodynamics.« less

  18. The Aftermath of the Fukushima Daiichi Accident: a Perspective from the British Embassy in Tokyo.

    PubMed

    Oppenheim, R J; Franklin, K C

    2016-04-01

    The British Embassy in Tokyo was at the heart of providing information in the immediate aftermath of the Fukushima Daiichi accident. Richard Oppenheim, who was present at the time, and Keith Franklin, who joined the Embassy shortly afterwards, give their perspectives on communicating information on radiation to the public and what lessons can be learned. Richard Oppenheim was head of the Climate Change and Energy team at the British Embassy in Tokyo from 2011 to 2015 and part of the Embassy team responding to the crisis. He travelled to Sendai on 12 March 2011. Keith Franklin has been on secondment to the British Embassy in Tokyo from the National Nuclear Laboratory since the accident at Fukushima Daiichi. PMID:27386586

  19. Union formation in later life: economic determinants of cohabitation and remarriage among older adults.

    PubMed

    Vespa, Jonathan

    2012-08-01

    This study builds on Becker's and Oppenheimer's theories of union formation to examine the economic determinants of marriage and cohabitation during older adulthood. Based on the 1998-2006 Health and Retirement Study and a sample of previously married Americans who are at least 50 years old, results show that wealthier older adults, regardless of gender, are more likely to repartner than stay single. Wealth has no discernable effect on the likelihood of remarrying versus cohabiting. Among the oldest men, the positive associations between wealth and repartnering are entirely due to housing assets. Results suggest that Oppenheimer's theory of marriage timing may be more applicable to later-life union formation than Becker's independence hypothesis. Further, economic disadvantage does not appear to characterize later-life cohabitation, unlike cohabitation during young adulthood. These findings help illuminate the union formation process during older adulthood and are timely considering demographic changes reshaping the American population.

  20. Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids.

    PubMed

    Gali, Adam; Demján, Tamás; Vörös, Márton; Thiering, Gergő; Cannuccia, Elena; Marini, Andrea

    2016-01-01

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born-Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron-vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron-vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born-Oppenheimer approximation. Moreover, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn-Teller effect. PMID:27103340

  1. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    SciTech Connect

    Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko; Engel, Volker; Gomez, Sandra; Sola, Ignacio R.

    2015-07-28

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  2. Rearrangement and annihilation in antihydrogen-atom scattering

    SciTech Connect

    Jonsell, Svante

    2008-08-08

    I review some results for annihilation and rearrangement processes in low-energy antihydrogen-hydrogen and antihydrogen-helium scattering. For the strong nuclear force results using a {delta}-function potential are compared to a scattering length approach. It is found that the {delta}-function potential does not give correct annihilation cross sections in the case of antihydrogen-helium scattering. Problem associated with the use of the Born-Oppenheimer approximation for rearrangement calculations are reviewed.

  3. Electronic structure, molecular bonding and potential energy surfaces

    SciTech Connect

    Ruedenberg, K.

    1993-12-01

    By virtue of the universal validity of the generalized Born-Oppenheimer separation, potential energy surfaces (PES`) represent the central conceptual as well as quantitative entities of chemical physics and provide the basis for the understanding of most physicochemical phenomena in many diverse fields. The research in this group deals with the elucidation of general properties of PES` as well as with the quantitative determination of PES` for concrete systems, in particular pertaining to reactions involving carbon, oxygen, nitrogen and hydrogen molecules.

  4. Improved actions, redundant operators and scaling in lattice SU(3)

    NASA Astrophysics Data System (ADS)

    Patel, Apoorva; Gupta, Rajan

    1987-01-01

    Schwinger-Dyson equations are used to systematically calculate redundant operators in lattice QCD and their role in perturbatively improved actions is analyzed. The criteria for improved actions in Monte Carlo simulations are discussed and their usefulness also. In particular the renormalized trajectory is estimated for the b = sqrt(3) renormalization group transformation in a four-parameter space and its scaling behavior is studied for future use in spectrum calculations. J. Robert Oppenheimer Fellow.

  5. Better a shield than a sword: Perspectives on defense and technology

    SciTech Connect

    Teller, E.

    1987-01-01

    The author offers an appraisal of his role in the development of the atomic and hydrogen bombs, his role in the Oppenheimer controversy, and his stance on arms control and nuclear policy. He also describes his relationship to President Truman, Ernest Lawrence and the Livermore Laboratories, and Ronald Reagan. He concludes with a reiteration of his views on nuclear technology, science and the military, and nuclear ethics.

  6. Carter Memorial Lecture 2003

    NASA Astrophysics Data System (ADS)

    Gledhill, Robin

    2003-09-01

    The 2003 Carter Memorial Lecture was given in May by Dr Ben R Oppenheimer, Kalbfleisch Research Fellow in the Department of Astrophysics at the American Museum of Natural History in New York. Public lectures entitled "Aliens: The Scientific Search for Life on Other Planets" were given in Nelson, Dunedin, Christchurch, Wellington, Wanganui, Napier, Hamilton and Auckland. University seminars entitled "The Lyot Project" were given in Christchurch, Wellington, Hamilton and Auckland.

  7. Hans Bethe's early life

    NASA Astrophysics Data System (ADS)

    Bernstein, Jeremy

    2012-10-01

    In 1937, two years after he moved to the US to escape Nazi persecution, the physicist Hans Bethe sent a letter to his mother in Germany. In it, he wrote, "I think I am about the leading theoretician in America. [Eugene] Wigner is certainly better and [Robert] Oppenheimer and [Edward] Teller probably just as good. But I do more and talk more and that counts too."

  8. Observation of an Excitonic Quantum Coherence in CdSe Nanocrystals.

    PubMed

    Dong, Shuo; Trivedi, Dhara; Chakrabortty, Sabyasachi; Kobayashi, Takayoshi; Chan, Yinthai; Prezhdo, Oleg V; Loh, Zhi-Heng

    2015-10-14

    Recent observations of excitonic coherences within photosynthetic complexes suggest that quantum coherences could enhance biological light harvesting efficiencies. Here, we employ optical pump-probe spectroscopy with few-femtosecond pulses to observe an excitonic quantum coherence in CdSe nanocrystals, a prototypical artificial light harvesting system. This coherence, which encodes the high-speed migration of charge over nanometer length scales, is also found to markedly alter the displacement amplitudes of phonons, signaling dynamics in the non-Born-Oppenheimer regime.

  9. Unobserved time effects confound the identification of climate change impacts.

    PubMed

    Auffhammer, Maximilian; Vincent, Jeffrey R

    2012-07-24

    A recent study by Feng et al. [Feng S, Krueger A, Oppenheimer M (2010) Proc Natl Acad Sci USA 107:14257-14262] in PNAS reported statistical evidence of a weather-driven causal effect of crop yields on human migration from Mexico to the United States. We show that this conclusion is based on a different statistical model than the one stated in the paper. When we correct for this mistake, there is no evidence of a causal link. PMID:22783021

  10. A Conversation with Robert F. Christy Part I

    NASA Astrophysics Data System (ADS)

    Lippincott, Sara

    2006-09-01

    Robert F. Christy, Institute Professor of Theoretical Physics Emeritus at Caltech, recalls his childhood in British Columbia; his undergraduate years at the University of British Columbia; his graduate work with J. Robert Oppenheimer at Berkeley; and his work on the Manhattan Project, first with Enrico Fermi at the Metallurgical Laboratory of the University of Chicago and then as a member of the Theoretical Division at Los Alamos.

  11. A Conversation with William A. Fowler Part I

    NASA Astrophysics Data System (ADS)

    Greenberg, John

    2005-03-01

    Nobel laureate William A. Fowler recalls his early education in physics; his part in the history of nuclear physics at the California Institute of Technology in the 1930s; parallel efforts elsewhere, particularly at Berkeley and the Department of Terrestrial Magnetism in Washington,D.C.; his contacts with J. Robert Oppenheimer; and his work with Charles C. Lauritsen and Tommy Lauritsen before and after World War II.

  12. Electron nuclear dynamics of proton collisions with methane at 30 eV

    NASA Astrophysics Data System (ADS)

    Jacquemin, D.; Morales, J. A.; Deumens, E.; Öhrn, Y.

    1997-10-01

    The reactive collisions of protons with methane molecules at 30 eV in the laboratory frame are studied with the electron nuclear dynamics (END). The results from this theoretical approach, which does not invoke the Born-Oppenheimer approximation and does not impose any constraints on the nuclear dynamics, are compared to the results from time-of-flight measurements. Total differential cross sections and integral cross sections as well as fragmentation ratios and energy loss spectra are discussed.

  13. Distributional patterns of decapod crustaceans in the circum-Mediterranean area during the Oligo-Miocene

    NASA Astrophysics Data System (ADS)

    Hyžný, Matúš

    2015-04-01

    During the Oligocene and Miocene, the circum-Mediterranean area was a complex network of (mostly) shallow marine basins. Significant biogeographic differentiation of this area has been documented (Harzhauser et al. 2007), mainly during the Miocene, when connections between Proto-Mediterranean, Paratethys and Proto-Indo-West Pacific were intermittently opening and closing. These seaways allowed migration of marine faunas. Distributional patterns has so far been discussed for several different animal groups, especially for molluscs (e.g. Studencka et al. 1998; Harzhauser et al. 2002, 2003, 2007). To test these patterns with decapod crustaceans, a database has been compiled including all previously published Oligocene and Miocene decapod occurrences and newly gathered data from examined material deposited in the institutional collections. Decapod associations have been significant components of marine habitats since the Mesozoic times with ever-increasing importance throughout the Cenozoic. Müller (1979) argued that brachyuran decapods are among the best zoogeographical indicators. Although decapods were used as such indicators before (e.g. Schweitzer 2001; Feldmann & Schweitzer 2006), no detailed analysis of the circum-Mediterranean taxa has been conducted so far. Based on proposed anti-estuarine circulation pattern, decapods originated in the Proto-Mediterranean, and migrated both into the North Sea and the Paratethys. Moreover, during the Early Miocene the Rhine Graben served as a connection between the North Sea and the Paratethys which enabled faunal exchange. The Middle Miocene Proto-Mediterranean and Paratethys decapod assemblages as taken together were relatively homogeneous, although distinct due to increasing rate of endemites in the Paratethys during the Miocene. The research has been supported by FWF: Lise Meitner Program M 1544-B25. References Feldmann R.M. & Schweitzer C.E. 2006: Paleobiogeography of Southern Hemisphere decapod Crustacea. J. Paleontol

  14. Vibrationally averaged dipole moments of methane and benzene isotopologues.

    PubMed

    Arapiraca, A F C; Mohallem, J R

    2016-04-14

    DFT-B3LYP post-Born-Oppenheimer (finite-nuclear-mass-correction (FNMC)) calculations of vibrationally averaged isotopic dipole moments of methane and benzene, which compare well with experimental values, are reported. For methane, in addition to the principal vibrational contribution to the molecular asymmetry, FNMC accounts for the surprisingly large Born-Oppenheimer error of about 34% to the dipole moments. This unexpected result is explained in terms of concurrent electronic and vibrational contributions. The calculated dipole moment of C6H3D3 is about twice as large as the measured dipole moment of C6H5D. Computational progress is advanced concerning applications to larger systems and the choice of appropriate basis sets. The simpler procedure of performing vibrational averaging on the Born-Oppenheimer level and then adding the FNMC contribution evaluated at the equilibrium distance is shown to be appropriate. Also, the basis set choice is made by heuristic analysis of the physical behavior of the systems, instead of by comparison with experiments. PMID:27083715

  15. Examining spectral variations in localized lunar dark mantle deposits

    USGS Publications Warehouse

    Jawin, Erica; Besse, Sebastien; Gaddis, Lisa R.; Sunshine, Jessica; Head, James W.; Mazrouei, Sara

    2015-01-01

    The localized lunar dark mantle deposits (DMDs) in Alphonsus, J. Herschel, and Oppenheimer craters were analyzed using visible-near-infrared spectroscopy data from the Moon Mineralogy Mapper. Spectra of these localized DMDs were analyzed for compositional and mineralogical variations within the deposits and were compared with nearby mare basalt units. Spectra of the three localized DMDs exhibited mafic absorption features indicating iron-rich compositions, although the DMDs were spectrally distinct from nearby mare basalts. All of the DMDs contained spectral signatures of glassy materials, suggesting the presence of volcanic glass in varying concentrations across the individual deposits. In addition, the albedo and spectral signatures were variable within the Alphonsus and Oppenheimer crater DMDs, suggesting variable deposit thickness and/or variations in the amount of mixing with the local substrate. Two previously unidentified localized DMDs were discovered to the northeast of Oppenheimer crater. The identification of high concentrations of volcanic glass in multiple localized DMDs in different locations suggests that the distribution of volcanic glass across the lunar surface is much more widespread than has been previously documented. The presence of volcanic glass implies an explosive, vulcanian eruption style for localized DMDs, as this allows volcanic glass to rapidly quench, inhibiting crystallization, compared to the larger hawaiian-style eruptions typical of regional DMD emplacement where black beads indicate a higher degree of crystallization. Improved understanding of the local and global distributions of volcanic glass in lunar DMDs will further constrain lunar degassing and compositional evolution throughout lunar volcanic history.

  16. The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction

    SciTech Connect

    Cederbaum, Lorenz S.

    2013-06-14

    The Born-Oppenheimer approximation is a basic approximation in molecular science. In this approximation, the total molecular wavefunction is written as a product of an electronic and a nuclear wavefunction. Hunter [Int. J. Quantum Chem. 9, 237 (1975)] has argued that the exact total wavefunction can also be factorized as such a product. In the present work, a variational principle is introduced which shows explicitly that the total wavefunction can be exactly written as such a product. To this end, a different electronic Hamiltonian has to be defined. The Schroedinger equation for the electronic wavefunction follows from the variational ansatz and is presented. As in the Born-Oppenheimer approximation, the nuclear motion is shown to proceed in a potential which is the electronic energy. In contrast to the Born-Oppenheimer approximation, the separation of the center of mass can be carried out exactly. The electronic Hamiltonian and the equation of motion of the nuclei resulting after the exact separation of the center of mass motion are explicitly given. A simple exactly solvable model is used to illustrate some aspects of the theory.

  17. A study of the geometrical phase effect on scattering processes: Validity of the extended-Longuet-Higgins formalism for a four-fold Jahn-Teller type model system

    NASA Astrophysics Data System (ADS)

    Sarkar, B.; Varandas, A. J. C.

    2011-11-01

    The Longuet-Higgins theorem has recently been extended to Jahn-Teller type electronic degeneracy manifolds of arbitrary dimension and suggested to obtain generalized Born-Oppenheimer equations including the geometrical phase effect [A.J.C. Varandas, Chem. Phys. Lett. 487 (2010) 139]. By replacing the traditional sign-change diagnostic of the adiabatic electronic wave vectors (upon adiabatic transportation in configuration space along a loop that encircles the point of degeneracy) with a sign-change criterion based upon their rotation by π in the N-dimensional electronic wave-vector space, it has been shown that only one pair of adiabatic electronic states changes sign upon encircling the degeneracy in configuration space. Here, we examine in detail the four-fold problem and report relevant dynamics studies. The results are compared with those obtained from the simple Born-Oppenheimer approximation (geometrical phase ignored) as well as two- and three-fold single-surface generalized Born-Oppenheimer equations. A rationalization is provided based on the symmetry-allowed reactive probabilities.

  18. New-Generation Laser-lithographed Dual-Axis Magnetically Assisted Remote-controlled Endovascular Catheter for Interventional MR Imaging: In Vitro Multiplanar Navigation at 1.5 T and 3 T versus X-ray Fluoroscopy

    PubMed Central

    Moftakhar, Parham; Lillaney, Prasheel; Losey, Aaron D.; Cooke, Daniel L.; Martin, Alastair J.; Thorne, Bradford R. H.; Arenson, Ronald L.; Saeed, Maythem; Wilson, Mark W.

    2015-01-01

    Purpose To assess the feasibility of multiplanar vascular navigation with a new magnetically assisted remote-controlled (MARC) catheter with real-time magnetic resonance (MR) imaging at 1.5 T and 3 T and to compare it with standard x-ray guidance in simulated endovascular catheterization procedures. Materials and Methods A 1.6-mm–diameter custom clinical-grade microcatheter prototype with lithographed double-saddle coils at the distal tip was deflected with real-time MR imaging. Two inexperienced operators and two experienced operators catheterized anteroposterior (celiac, superior mesenteric, and inferior mesenteric arteries) and mediolateral (renal arteries) branch vessels in a cryogel abdominal aortic phantom. This was repeated with conventional x-ray fluoroscopy by using clinical catheters and guidewires. Mean procedure times and percentage success data were analyzed with linear mixed-effects regression. Results The MARC catheter tip was visible at 1.5 T and 3 T. Among inexperienced operators, MARC MR imaging guidance was not statistically different from x-ray guidance at 1.5 T (67% successful vessel selection turns with MR imaging vs 76% with x-ray guidance, P = .157) and at 3 T (75% successful turns with MR imaging vs 76% with x-ray guidance, P = .869). Experienced operators were more successful in catheterizing vessels with x-ray guidance (98% success within 60 seconds) than with 1.5-T (65%, P < .001) or 3-T (75%) MR imaging. Among inexperienced operators, mean procedure time was nearly equivalent by using MR imaging (31 seconds) and x-ray guidance (34 seconds, P = .436). Among experienced operators, catheterization was faster with x-ray guidance (20 seconds) compared with 1.5-T MR imaging (42 seconds, P < .001), but MARC guidance improved at 3 T (31 seconds). MARC MR imaging guidance at 3 T was not significantly different from x-ray guidance for the celiac (P = .755), superior mesenteric (P = .358), and inferior mesenteric (P = .065) arteries. Conclusion

  19. Atmospheric and Fundamental Parameters of Stars in Hubble's Next Generation Spectral Library

    NASA Technical Reports Server (NTRS)

    Heap, Sally

    2010-01-01

    Hubble's Next Generation Spectral Library (NGSL) consists of R approximately 1000 spectra of 374 stars of assorted temperature, gravity, and metallicity. We are presently working to determine the atmospheric and fundamental parameters of the stars from the NGSL spectra themselves via full-spectrum fitting of model spectra to the observed (extinction-corrected) spectrum over the full wavelength range, 0.2-1.0 micron. We use two grids of model spectra for this purpose: the very low-resolution spectral grid from Castelli-Kurucz (2004), and the grid from MARCS (2008). Both the observed spectrum and the MARCS spectra are first degraded in resolution to match the very low resolution of the Castelli-Kurucz models, so that our fitting technique is the same for both model grids. We will present our preliminary results with a comparison with those from the Sloan/Segue Stellar Parameter Pipeline, ELODIE, and MILES, etc.

  20. Valorization of winery waste vs. the costs of not recycling.

    PubMed

    Devesa-Rey, R; Vecino, X; Varela-Alende, J L; Barral, M T; Cruz, J M; Moldes, A B

    2011-11-01

    Wine production generates huge amounts of waste. Before the 1990s, the most economical option for waste removal was the payment of a disposal fee usually being of around 3000 Euros. However, in recent years the disposal fee and fines for unauthorized discharges have increased considerably, often reaching 30,000-40,000 Euros, and a prison sentence is sometimes also imposed. Some environmental friendly technologies have been proposed for the valorization of winery waste products. Fermentation of grape marc, trimming vine shoot or vinification lees has been reported to produce lactic acid, biosurfactants, xylitol, ethanol and other compounds. Furthermore, grape marc and seeds are rich in phenolic compounds, which have antioxidants properties, and vinasse contains tartaric acid that can be extracted and commercialized. Companies must therefore invest in new technologies to decrease the impact of agro-industrial residues on the environment and to establish new processes that will provide additional sources of income. PMID:21752623

  1. Elastic-plastic finite-element analyses of thermally cycled single-edge wedge specimens

    NASA Technical Reports Server (NTRS)

    Kaufman, A.

    1982-01-01

    Elastic-plastic stress-strain analyses were performed for single-edge wedge alloys subjected to thermal cycling in fluidized beds. Three cases (NASA TAZ-8A alloy under one cycling condition and 316 stainless steel alloy under two cycling conditions) were analyzed by using the MARC nonlinear, finite-element computer program. Elastic solutions from MARC showed good agreement with previously reported solutions that used the NASTRAN and ISO3DQ computer programs. The NASA TAZ-8A case exhibited no plastic strains, and the elastic and elastic-plastic analyses gave identical results. Elastic-plastic analyses of the 316 stainless steel alloy showed plastic strain reversal with a shift of the mean stresses in the compressive direction. The maximum equivalent total strain ranges for these cases were 13 to 22 percent greater than that calculated from elastic analyses.

  2. Antioxidant White Grape Seed Phenolics: Pressurized Liquid Extracts from Different Varieties.

    PubMed

    Garcia-Jares, Carmen; Vazquez, Alberto; Lamas, Juan P; Pajaro, Marta; Alvarez-Casas, Marta; Lores, Marta

    2015-11-19

    Grape seeds represent a high percentage (20% to 26%) of the grape marc obtained as a byproduct from white winemaking and keep a vast proportion of grape polyphenols. In this study, seeds obtained from 11 monovarietal white grape marcs cultivated in Northwestern Spain have been analyzed in order to characterize their polyphenolic content and antioxidant activity. Seeds of native (Albariño, Caiño, Godello, Loureiro, Torrontés, and Treixadura) and non-native (Chardonnay, Gewurtzträminer, Pinot blanc, Pinot gris, and Riesling) grape varieties have been considered. Low weight phenolics have been extracted by means of pressurized liquid extraction (PLE) and further analyzed by LC-MS/MS. The results showed that PLE extracts, whatever the grape variety of origin, contained large amounts of polyphenols and high antioxidant activity. Differences in the varietal polyphenolic profiles were found, so a selective exploitation of seeds might be possible.

  3. Antioxidant White Grape Seed Phenolics: Pressurized Liquid Extracts from Different Varieties

    PubMed Central

    Garcia-Jares, Carmen; Vazquez, Alberto; Lamas, Juan P.; Pajaro, Marta; Alvarez-Casas, Marta; Lores, Marta

    2015-01-01

    Grape seeds represent a high percentage (20% to 26%) of the grape marc obtained as a byproduct from white winemaking and keep a vast proportion of grape polyphenols. In this study, seeds obtained from 11 monovarietal white grape marcs cultivated in Northwestern Spain have been analyzed in order to characterize their polyphenolic content and antioxidant activity. Seeds of native (Albariño, Caiño, Godello, Loureiro, Torrontés, and Treixadura) and non-native (Chardonnay, Gewurtzträminer, Pinot blanc, Pinot gris, and Riesling) grape varieties have been considered. Low weight phenolics have been extracted by means of pressurized liquid extraction (PLE) and further analyzed by LC-MS/MS. The results showed that PLE extracts, whatever the grape variety of origin, contained large amounts of polyphenols and high antioxidant activity. Differences in the varietal polyphenolic profiles were found, so a selective exploitation of seeds might be possible. PMID:26783956

  4. A coupled/uncoupled deformation and fatigue damage algorithm utilizing the finite element method

    NASA Technical Reports Server (NTRS)

    Wilt, Thomas E.; Arnold, Steven M.

    1994-01-01

    A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum based fatigue damage model for unidirectional metal matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress which fully couples the fatigue damage calculations with the finite element deformation solution. An axisymmetric stress analysis was performed on a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. The composite core behavior was represented using Hill's anisotropic continuum based plasticity model, and similarly, the matrix cladding was represented by an isotropic plasticity model. Results are presented in the form of S-N curves and damage distribution plots.

  5. Elastic-plastic finite-element analyses of thermally cycled double-edge wedge specimens

    NASA Technical Reports Server (NTRS)

    Kaufman, A.; Hunt, L. E.

    1982-01-01

    Elastic-plastic stress-strain analyses were performed for double-edge wedge specimens subjected to thermal cycling in fluidized beds at 316 and 1088 C. Four cases involving different nickel-base alloys (IN 100, Mar M-200, NASA TAZ-8A, and Rene 80) were analyzed by using the MARC nonlinear, finite element computer program. Elastic solutions from MARC showed good agreement with previously reported solutions obtained by using the NASTRAN and ISO3DQ computer programs. Equivalent total strain ranges at the critical locations calculated by elastic analyses agreed within 3 percent with those calculated from elastic-plastic analyses. The elastic analyses always resulted in compressive mean stresses at the critical locations. However, elastic-plastic analyses showed tensile mean stresses for two of the four alloys and an increase in the compressive mean stress for the highest plastic strain case.

  6. Assessment of Static Delamination Propagation Capabilities in Commercial Finite Element Codes Using Benchmark Analysis

    NASA Technical Reports Server (NTRS)

    Orifici, Adrian C.; Krueger, Ronald

    2010-01-01

    With capabilities for simulating delamination growth in composite materials becoming available, the need for benchmarking and assessing these capabilities is critical. In this study, benchmark analyses were performed to assess the delamination propagation simulation capabilities of the VCCT implementations in Marc TM and MD NastranTM. Benchmark delamination growth results for Double Cantilever Beam, Single Leg Bending and End Notched Flexure specimens were generated using a numerical approach. This numerical approach was developed previously, and involves comparing results from a series of analyses at different delamination lengths to a single analysis with automatic crack propagation. Specimens were analyzed with three-dimensional and two-dimensional models, and compared with previous analyses using Abaqus . The results demonstrated that the VCCT implementation in Marc TM and MD Nastran(TradeMark) was capable of accurately replicating the benchmark delamination growth results and that the use of the numerical benchmarks offers advantages over benchmarking using experimental and analytical results.

  7. Managing RFID sensors networks with a general purpose RFID middleware.

    PubMed

    Abad, Ismael; Cerrada, Carlos; Cerrada, Jose A; Heradio, Rubén; Valero, Enrique

    2012-01-01

    RFID middleware is anticipated to one of the main research areas in the field of RFID applications in the near future. The Data EPC Acquisition System (DEPCAS) is an original proposal designed by our group to transfer and apply fundamental ideas from System and Data Acquisition (SCADA) systems into the areas of RFID acquisition, processing and distribution systems. In this paper we focus on how to organize and manage generic RFID sensors (edge readers, readers, PLCs, etc…) inside the DEPCAS middleware. We denote by RFID Sensors Networks Management (RSNM) this part of DEPCAS, which is built on top of two new concepts introduced and developed in this work: MARC (Minimum Access Reader Command) and RRTL (RFID Reader Topology Language). MARC is an abstraction layer used to hide heterogeneous devices inside a homogeneous acquisition network. RRTL is a language to define RFID Reader networks and to describe the relationship between them (concentrator, peer to peer, master/submaster). PMID:22969370

  8. Central Dog-ma Disease Detectives: A Molecular Biology Inquiry Activity for Undergraduates

    NASA Astrophysics Data System (ADS)

    Quan, T. K.; Yuh, P.; Black, F.

    2010-12-01

    The Minority Access to Research Careers (MARC) and Minority Biomedical Research Support (MBRS) are programs at the University of California at Santa Cruz designed to support minority undergraduate students majoring in the sciences. Each summer MARC/MBRS sponsors a Summer Institute that involves week long "rotations" with different faculty mentors. In 2008, the Center for Adaptive Optics (CfAO) Professional Development Program (PDP) was responsible for overseeing one week of the Summer Institute, and designed it to be a Biomedical Short Course. As part of this short course, we designed a four-hour activity in which students collected their own data and explored relationships between the basic biomolecules DNA, RNA, and protein. The goal was to have the students use experimental data to support their explanation of the "Central Dogma" of molecular biology. Here we describe details of our activity and provide a post-teaching reflection on its success.

  9. Burner liner thermal/structural load modeling: TRANCITS program user's manual

    NASA Technical Reports Server (NTRS)

    Maffeo, R.

    1985-01-01

    Transfer Analysis Code to Interface Thermal/Structural Problems (TRANCITS) is discussed. The TRANCITS code satisfies all the objectives for transferring thermal data between heat transfer and structural models of combustor liners and it can be used as a generic thermal translator between heat transfer and stress models of any component, regardless of the geometry. The TRANCITS can accurately and efficiently convert the temperature distributions predicted by the heat transfer programs to those required by the stress codes. It can be used for both linear and nonlinear structural codes and can produce nodal temperatures, elemental centroid temperatures, or elemental Gauss point temperatures. The thermal output of both the MARC and SINDA heat transfer codes can be interfaced directly with TRANCITS, and it will automatically produce stress model codes formatted for NASTRAN and MARC. Any thermal program and structural program can be interfaced by using the neutral input and output forms supported by TRANCITS.

  10. Antiviral activity and underlying molecular mechanisms of Matrine against porcine reproductive and respiratory syndrome virus in vitro.

    PubMed

    Sun, Na; Wang, Zhi-Wei; Wu, Cai-Hong; Li, E; He, Jun-Ping; Wang, Shao-Yu; Hu, Yuan-Liang; Lei, Hai-Min; Li, Hong-Quan

    2014-04-01

    Porcine reproductive and respiratory syndrome (PRRS), caused by porcine reproductive and respiratory syndrome virus (PRRSV), is an acute infectious disease. The prevalence of PRRS has made swine industry suffered huge financial losses. Matrine, a natural compound, has been demonstrated to possess anti-PRRSV activity in Marc-145 cells. However, the underlying molecular mechanisms were still unknown. The main objective of our study was to discuss the effect of Matrine on PRRSV N protein expression and PRRSV induced apoptosis. Indirect immunofluorescence assay (IFA) and Western blot were used to assess the effect of Matrine on N protein expression. Apoptosis was analyzed by fluorescence staining. In addition, the effect of Matrine on caspase-3 activation was investigated by Western blot. Indirect immunofluorescence assay and Western blot analysis demonstrated that Matrine could inhibit N protein expression in Marc-145 cells. And Matrine was found to be able to impair PRRSV-induced apoptosis by inhibiting caspase-3 activation.

  11. Online book order request in the University of Tsukuba Library

    NASA Astrophysics Data System (ADS)

    Kumagai, Toshio; Tsukada, Yoshihiko; Hayase, Hitoshi; Yoshida, Akira; Yamamoto, Jun'ichi

    The online book order request, which is an enlarged inquiring subsystem of TULIPS, started its service of accepting order request in online from terminals outside the library and started in October 1987. Its structure consists of four parts; duplicate checking, record making, cancellation and record display. Through duplicate checking, it is possible to retrieve holding and ordering information at the same time, and by record making we can make use of bibliographic data in JAPAN-MARC or LC-MARC. This function corresponds to various types of terminals on campus and fully automates office documents. Integrating information retrieval and electronic mail system, this online service supplies the end users the information about the availability of materials and current status of requests in a rapid, precise and paperless form.

  12. Thermostructural analysis of simulated cowl lips

    NASA Technical Reports Server (NTRS)

    Melis, Matthew E.

    1988-01-01

    Three dimensional finite element analyses using MSC/NASTRAN and MARC are performed to predict the thermal and structural response of various cooling schemes under high heat loads. Steady state heat transfer analyses and elastic stress analyses are performed using MSC/NASTRAN. Elastic/plastic analyses are done using MARC. To help verify these analyses experimentally, a hydrogen-oxygen rocket engine was modified to use the exhaust stream as a high enthalpy, high heat flux source to evaluate various actively cooled, simulated cowl lip (leading edges) segments as well as flat structural segments. Cross flow and parallel flow cooling configurations were tested and analyzed using cooling fluids of water and gaseous hydrogen. In addition, various material types, including high conductivity copper, nickel, and a copper and graphite metal matrix composite were tested and compared.

  13. A Coupled/Uncoupled Computational Scheme for Deformation and Fatigue Damage Analysis of Unidirectional Metal-Matrix Composites

    NASA Technical Reports Server (NTRS)

    Wilt, Thomas E.; Arnold, Steven M.; Saleeb, Atef F.

    1997-01-01

    A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum-based fatigue damage model for unidirectional metal-matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress that fully couples the fatigue damage calculations with the finite element deformation solution. Two applications using the fatigue damage algorithm are presented. First, an axisymmetric stress analysis of a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. Second, a micromechanics analysis of a fiber/matrix unit cell using both the finite element method and the generalized method of cells (GMC). Results are presented in the form of S-N curves and damage distribution plots.

  14. Managing RFID Sensors Networks with a General Purpose RFID Middleware

    PubMed Central

    Abad, Ismael; Cerrada, Carlos; Cerrada, Jose A.; Heradio, Rubén; Valero, Enrique

    2012-01-01

    RFID middleware is anticipated to one of the main research areas in the field of RFID applications in the near future. The Data EPC Acquisition System (DEPCAS) is an original proposal designed by our group to transfer and apply fundamental ideas from System and Data Acquisition (SCADA) systems into the areas of RFID acquisition, processing and distribution systems. In this paper we focus on how to organize and manage generic RFID sensors (edge readers, readers, PLCs, etc…) inside the DEPCAS middleware. We denote by RFID Sensors Networks Management (RSNM) this part of DEPCAS, which is built on top of two new concepts introduced and developed in this work: MARC (Minimum Access Reader Command) and RRTL (RFID Reader Topology Language). MARC is an abstraction layer used to hide heterogeneous devices inside a homogeneous acquisition network. RRTL is a language to define RFID Reader networks and to describe the relationship between them (concentrator, peer to peer, master/submaster). PMID:22969370

  15. Phenomenological Modeling for Langmuir Monolayers

    NASA Astrophysics Data System (ADS)

    Baptiste, Dimitri; Kelly, David; Safford, Twymun; Prayaga, Chandra; Varney, Christopher N.; Wade, Aaron

    Experimentally, Langmuir monolayers have applications in molecular optical, electronic, and sensor devices. Traditionally, Langmuir monolayers are described by a rigid rod model where the rods interact via a Leonard-Jones potential. Here, we propose effective phenomenological models and utilize Monte Carlo simulations to analyze the phase behavior and compare with experimental isotherms. Research reported in this abstract was supported by UWF NIH MARC U-STAR 1T34GM110517-01.

  16. Finite element implementation of Robinson's unified viscoplastic model and its application to some uniaxial and multiaxial problems

    NASA Technical Reports Server (NTRS)

    Arya, V. K.; Kaufman, A.

    1987-01-01

    A description of the finite element implementation of Robinson's unified viscoplastic model into the General Purpose Finite Element Program (MARC) is presented. To demonstrate its application, the implementation is applied to some uniaxial and multiaxial problems. A comparison of the results for the multiaxial problem of a thick internally pressurized cylinder, obtained using the finite element implementation and an analytical solution, is also presented. The excellent agreement obtained confirms the correct finite element implementation of Robinson's model.

  17. Molecular dissection of the role of auxin in fruit initiation.

    PubMed

    Pandolfini, Tiziana; Molesini, Barbara; Spena, Angelo

    2007-08-01

    Fruit set and growth usually requires fertilization. Fruit set and development without fertilization is called parthenocarpy. Feeding auxin to virgin flowers induces fruit development without fertilization. Recent studies by Hua Wang et al. and Marc Goetz et al. have identified molecular events leading to fruit initiation in the absence of fertilization, showing that parthenocarpy can be achieved by altering different steps of the auxin signaling pathway. Thus, independent evidence indicates that auxin plays a key role in fruit initiation. PMID:17629541

  18. Computer Models of Proteins

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Dr. Marc Pusey (seated) and Dr. Craig Kundrot use computers to analyze x-ray maps and generate three-dimensional models of protein structures. With this information, scientists at Marshall Space Flight Center can learn how proteins are made and how they work. The computer screen depicts a proten structure as a ball-and-stick model. Other models depict the actual volume occupied by the atoms, or the ribbon-like structures that are crucial to a protein's function.

  19. Predicting Treatment Effect from Surrogate Endpoints and Historical Trials | Division of Cancer Prevention

    Cancer.gov

    By Stuart G. Baker (wrote software), Daniel J. Sargent, Marc Buyse, and Tomasz Burzykowski The key function is Surr[data] where data={data1x,data2x,data3x,...} datax={x,infovec} x = matrix of counts:rows are trialscolumns are cells (000,001,010,011,100,101,110,111) infovec={control,name0,name1,surrtime,truetime,units,datatype} |

  20. Determining the research needs of the surface coal mining industry

    SciTech Connect

    Zell, L.M.

    1982-12-01

    This paper reveals avenues open to the coal industry to help gain technology and research information needed to meet the requirements of the Surface Mining Control and Reclamation Act of 1977. It discusses projects of the Department of Energy's (DOE) Office of Coal Mining and the Mining and Reclamation Council of America (MARC) to help meet the environmental needs as well as the coal industry needs.