Science.gov

Sample records for radiation chemistry applications

  1. Radiation Chemistry

    NASA Astrophysics Data System (ADS)

    Wojnárovits, L.

    Ionizing radiation causes chemical changes in the molecules of the interacting medium. The initial molecules change to new molecules, resulting in changes of the physical, chemical, and eventually biological properties of the material. For instance, water decomposes to its elements H2 and O2. In polymers, degradation and crosslinking take place. In biopolymers, e.g., DNS strand breaks and other alterations occur. Such changes are to be avoided in some cases (radiation protection), however, in other cases they are used for technological purposes (radiation processing). This chapter introduces radiation chemistry by discussing the sources of ionizing radiation (radionuclide sources, machine sources), absorption of radiation energy, techniques used in radiation chemistry research, and methods of absorbed energy (absorbed dose) measurements. Radiation chemistry of different classes of inorganic (water and aqueous solutions, inorganic solids, ionic liquids (ILs)) and organic substances (hydrocarbons, halogenated compounds, polymers, and biomolecules) is discussed in concise form together with theoretical and experimental backgrounds. An essential part of the chapter is the introduction of radiation processing technologies in the fields of polymer chemistry, food processing, and sterilization. The application of radiation chemistry to nuclear technology and to protection of environment (flue gas treatment, wastewater treatment) is also discussed.

  2. Survey of application of radiation to preparative chemistry

    NASA Technical Reports Server (NTRS)

    Philipp, W. H.

    1973-01-01

    The use of radiation for preparative chemistry in liquid solutions is investigated. General principles are presented and preparations involving reduction, oxidation, polymerization, and decomposition are given. The use of various solvents, water, other inorganic liquids and organic liquids for this purpose is discussed. Finally, a commentary is made on some specific applications where radiation chemistry as a preparative technique may be useful.

  3. Weiss lecture. Applications of the radiation chemistry of water: acid rain and nuclear power.

    PubMed

    Buxton, G V

    1991-01-01

    The radiation chemistry of water is sufficiently well known under ambient conditions that it is widely used to study the chemistry of free radicals in aqueous solution. One topical application described here is the hydroxyl radical-driven oxidation of sulphur dioxide to sulphuric acid in cloudwater to form acid rain. Another area of current interest is the effects of radiation on the cooling water of pressurized water reactors at ca. 300 degrees C. In studying these effects new information is also being gained on the fundamental processes in the radiation chemistry of water and on the kinetics of fast reactions.

  4. Application of Radiation Chemistry to Some Selected Technological Issues Related to the Development of Nuclear Energy.

    PubMed

    Bobrowski, Krzysztof; Skotnicki, Konrad; Szreder, Tomasz

    2016-10-01

    The most important contributions of radiation chemistry to some selected technological issues related to water-cooled reactors, reprocessing of spent nuclear fuel and high-level radioactive wastes, and fuel evolution during final radioactive waste disposal are highlighted. Chemical reactions occurring at the operating temperatures and pressures of reactors and involving primary transients and stable products from water radiolysis are presented and discussed in terms of the kinetic parameters and radiation chemical yields. The knowledge of these parameters is essential since they serve as input data to the models of water radiolysis in the primary loop of light water reactors and super critical water reactors. Selected features of water radiolysis in heterogeneous systems, such as aqueous nanoparticle suspensions and slurries, ceramic oxides surfaces, nanoporous, and cement-based materials, are discussed. They are of particular concern in the primary cooling loops in nuclear reactors and long-term storage of nuclear waste in geological repositories. This also includes radiation-induced processes related to corrosion of cladding materials and copper-coated iron canisters, dissolution of spent nuclear fuel, and changes of bentonite clays properties. Radiation-induced processes affecting stability of solvents and solvent extraction ligands as well oxidation states of actinide metal ions during recycling of the spent nuclear fuel are also briefly summarized.

  5. Application of Radiation Chemistry to Some Selected Technological Issues Related to the Development of Nuclear Energy.

    PubMed

    Bobrowski, Krzysztof; Skotnicki, Konrad; Szreder, Tomasz

    2016-10-01

    The most important contributions of radiation chemistry to some selected technological issues related to water-cooled reactors, reprocessing of spent nuclear fuel and high-level radioactive wastes, and fuel evolution during final radioactive waste disposal are highlighted. Chemical reactions occurring at the operating temperatures and pressures of reactors and involving primary transients and stable products from water radiolysis are presented and discussed in terms of the kinetic parameters and radiation chemical yields. The knowledge of these parameters is essential since they serve as input data to the models of water radiolysis in the primary loop of light water reactors and super critical water reactors. Selected features of water radiolysis in heterogeneous systems, such as aqueous nanoparticle suspensions and slurries, ceramic oxides surfaces, nanoporous, and cement-based materials, are discussed. They are of particular concern in the primary cooling loops in nuclear reactors and long-term storage of nuclear waste in geological repositories. This also includes radiation-induced processes related to corrosion of cladding materials and copper-coated iron canisters, dissolution of spent nuclear fuel, and changes of bentonite clays properties. Radiation-induced processes affecting stability of solvents and solvent extraction ligands as well oxidation states of actinide metal ions during recycling of the spent nuclear fuel are also briefly summarized. PMID:27573502

  6. Radiation Chemistry in Organized Assemblies.

    ERIC Educational Resources Information Center

    Thomas, J. K.; Chen, T. S.

    1981-01-01

    Expands the basic concepts regarding the radiation chemistry of simple aqueous systems to more complex, but well defined, organized assemblies. Discusses the differences in behavior in comparison to simple systems. Reviews these techniques: pulse radiolysis, laser flash, photolysis, and steady state irradiation by gamma rays or light. (CS)

  7. Research needs and opportunities in radiation chemistry workshop

    SciTech Connect

    Barbara, Paul F

    1998-04-19

    heterogeneous systems. These various goals necessitate the development and application of complementary programs of experiment and theory, and will involve the use of nonconventional radiation sources and the study of novel homogeneous and heterogeneous chemical systems. There is also a need to upgrade other types of instrumentation used in radiation chemistry in the national laboratories, including high field electron paramagnetic resonance, and modern analytical tools. The development and enhancement of these various tools will allow for a much wider use of the national radiation chemistry facilities.

  8. Radiation Chemistry and the Radiation Preservation of Food.

    ERIC Educational Resources Information Center

    Taub, Irwin A.

    1981-01-01

    Describes common features in the radiation chemistry of food components, and illustrates how product yields are predicted. Presents data that pertain to the radiolysis of the nitrate ion, metmyoglobin, myosin, and tripalmitin. (CS)

  9. Radiation Chemistry of Potential Europa Plumes

    NASA Astrophysics Data System (ADS)

    Gudipati, M. S.; Henderson, B. L.

    2014-12-01

    Recent detection of atomic hydrogen and atomic oxygen and their correlation to potential water plumes on Europa [Roth, Saur et al. 2014] invoked significant interest in further understanding of these potential/putative plumes on Europa. Unlike on Enceladus, Europa receives significant amount of electron and particle radiation. If the plumes come from trailing hemisphere and in the high radiation flux regions, then it is expected that the plume molecules be subjected to radiation processing. Our interest is to understand to what extent such radiation alterations occur and how they can be correlated to the plume original composition, whether organic or inorganic in nature. We will present laboratory studies [Henderson and Gudipati 2014] involving pulsed infrared laser ablation of ice that generates plumes similar to those observed on Enceladus [Hansen, Esposito et al. 2006; Hansen, Shemansky et al. 2011] and expected to be similar on Europa as a starting point; demonstrating the applicability of laser ablation to simulate plumes of Europa and Enceladus. We will present results from electron irradiation of these plumes to determine how organic and inorganic composition is altered due to radiation. Acknowledgments:This research was enabled through partial funding from NASA funding through Planetary Atmospheres, and the Europa Clipper Pre-Project. B.L.H. acknowledges funding from the NASA Postdoctoral Program for an NPP fellowship. Hansen, C. J., L. Esposito, et al. (2006). "Enceladus' water vapor plume." Science 311(5766): 1422-1425. Hansen, C. J., D. E. Shemansky, et al. (2011). "The composition and structure of the Enceladus plume." Geophysical Research Letters 38. Henderson, B. L. and M. S. Gudipati (2014). "Plume Composition and Evolution in Multicomponent Ices Using Resonant Two-Step Laser Ablation and Ionization Mass Spectrometry." The Journal of Physical Chemistry A 118(29): 5454-5463. Roth, L., J. Saur, et al. (2014). "Transient Water Vapor at Europa's South

  10. Extraterrestrial Radiation Chemistry and Molecular Astronomy

    NASA Technical Reports Server (NTRS)

    Hudson, Reggie L.; Moore, Marla H.

    2009-01-01

    Astronomical observations of both solar system and interstellar regions have revealed a rich chemical inventory that includes most classes of organic molecules and selected inorganics. For example, gas-phase ethylene glycol and SOz have been observed by astronomers, while solidphase detections include OCS, H2O2 , and the cyanate anion.' All of these are found in environments that are, by earthly standards, exceedingly hostile: temperatures of 10 - 100 K, miniscule densities, and near-ubiquitous ionizing-radiation fields. Beyond the simplest chemical species, these conditions have made it difficult-to-impassible to account for the observed molecular abundances using gas-phase chemistry, suggesting solid-phase reactions play an important role. In extraterrestrial environments, cosmic rays, UV photons, and magnetospheric radiation all drive chemical reactions, even at cryogenic temperatures. To study this chemistry, radiation astrochemists conduct experiments on icy materials, frozen under vacuum and exposed to sources such as keV electrons and MeV protons. Compositional changes usually are followed with IR spectroscopy and, in selected cases, more-sensitive mass-spectral techniques. This talk will review some recent results on known and suspected extraterrestrial molecules and ions. Spectra and reaction pathways will be presented, and predictions made for interstellar chemistry and the chemistry of selected solar system objects. Some past radiation-chemical contributions, and future needs, will be explored.

  11. Radiative Transfer: Methods and Applications

    NASA Astrophysics Data System (ADS)

    Mayer, Bernhard; Emde, Claudia; Buras, Robert; Kylling, Arve

    Solar and terrestrial radiation is the driver of atmospheric dynamics and chemistry and can be exploited by remote sensing algorithms to determine atmospheric composition. For this purpose, accurate radiative transfer models are needed. Here, a modern radiative transfer tool developed over many years at the Institute of Atmospheric Physics is explained. As an application, the remote sensing of cloud microphysics using the angular distribution of reflected solar radiance in the rainbow and backscatter glory is shown, with special emphasis on the polarization of radiation.

  12. Radiation chemistry of synthetic waste

    SciTech Connect

    Meisel, D.; Diamond, H.; Horwitz, E.P.; Jonah, C.D.; Matheson, M.S.; Sauer, M.C. Jr.; Sullivan, J.C.

    1991-11-01

    The yield of H{sub 2} from radiolysis of aqueous solutions is substantially reduced by the presence of nitrate and nitrite in the waste solutions. Nitrate is more efficient in scavenging the precursors to H{sub 2} than is nitrite, therefore, the latter should be maintained at higher levels if minimization of radiolytic gas production is required. Nitrate is the major scavenger for e{sub aq}{sup {minus}} and nitrite is the major scavenger for H atoms. At the concentration levels of the waste solutions some fraction of the radiation energy will be absorbed directly by the solutes, primarily the nitrate/nitrite components. Organic additive will increase the generation of H{sub 2} and mechanistic information is available to allow predictive modeling of trends in the rate of the generation. Physical parameters such as temperature, viscosity, and pressure will not significantly affect the gas generation relative to its generation under normal conditions. Radiolytic generation of N{sub 2}O is very inefficient in the absence of organic solutes. No mechanistic information is available on its generation in the presence of organic additives. At the concentration levels of the inorganic salts in the waste solutions, it will be very difficult to find a chemical additive that could efficiently reduce the yield of the generated H{sub 2}, except, perhaps, increasing the concentration of the nitrite/nitrate components.

  13. Radiation chemistry for modern nuclear energy development

    NASA Astrophysics Data System (ADS)

    Chmielewski, Andrzej G.; Szołucha, Monika M.

    2016-07-01

    Radiation chemistry plays a significant role in modern nuclear energy development. Pioneering research in nuclear science, for example the development of generation IV nuclear reactors, cannot be pursued without chemical solutions. Present issues related to light water reactors concern radiolysis of water in the primary circuit; long-term storage of spent nuclear fuel; radiation effects on cables and wire insulation, and on ion exchangers used for water purification; as well as the procedures of radioactive waste reprocessing and storage. Radiation effects on materials and enhanced corrosion are crucial in current (II/III/III+) and future (IV) generation reactors, and in waste management, deep geological disposal and spent fuel reprocessing. The new generation of reactors (III+ and IV) impose new challenges for radiation chemists due to their new conditions of operation and the usage of new types of coolant. In the case of the supercritical water-cooled reactor (SCWR), water chemistry control may be the key factor in preventing corrosion of reactor structural materials. This paper mainly focuses on radiation effects on long-term performance and safety in the development of nuclear power plants.

  14. Microcomputer Applications in Analytical Chemistry.

    ERIC Educational Resources Information Center

    Long, Joseph W.

    The first part of this paper addresses the following topics: (1) the usefulness of microcomputers; (2) applications for microcomputers in analytical chemistry; (3) costs; (4) major microcomputer systems and subsystems; and (5) which microcomputer to buy. Following these brief comments, the major focus of the paper is devoted to a discussion of…

  15. Use of radiation in preparative chemistry

    NASA Technical Reports Server (NTRS)

    Philipp, W. H.; Marksik, S. J.; May, C. E.; Lad, R. A.

    1971-01-01

    A summary and updating of previous work on the use of radiation chemistry for the preparation of pure materials are presented. Work was chiefly concerned with the reduction of metal salts in solution to the free metal using 2 MeV electrons. Metals deposited from aqueous solution are copper, silver, zinc, cadmium, thallium, tin, lead, antimony, iron, nickel, cobalt, and palladium. Dry organic solvents were evaluated for the deposition of metals based on a study involving deposition of antimony from soltions of antimony (III) chloride. The use of organic liquids for the preparation of anhydrous metal halides is also presented. Reaction mechanisms for both organic liquids and aqueous system are discussed.

  16. Radiation Chemistry of Advanced TALSPEAK Flowsheet

    SciTech Connect

    Mincher, Bruce; Peterman, Dean; Mcdowell, Rocklan; Olson, Lonnie; Lumetta, Gregg J.

    2013-08-28

    This report summarizes the results of initial experiments designed to understand the radiation chemistry of an Advanced TALSPEAK process for separating trivalent lanthanides form the actinides. Biphasic aerated samples were irradiated and then analyzed for post-irradiation constituent concentrations and solvent extraction distribution ratios. The effects of irradiation on the TALSPEAK and Advanced TALSPEAK solvents were similar, with very little degradation of the organic phase extractant. Decomposition products were detected, with a major product in common for both solvents. This product may be responsible for the slight increase in distribution ratios for Eu and Am with absorbed dose, however; separation factors were not greatly affected.

  17. Chemistry of MOS-LSI radiation hardening

    NASA Technical Reports Server (NTRS)

    Grunthaner, P.

    1985-01-01

    The objective of this task was to obtain chemical information on MOS test samples. Toward this end, high resolution X-ray photoemission spectroscopy (XPS) has been the primary techniques used to characterize the chemistry and structure of the SiO2/Si interface for a variety of MOS structures with differing degrees of susceptibility to damage by ionizing radiation. The major accomplishments of this program are: (1) the identification of a structurally distinct region of SiO2 in the near-interfacial region of thermal SiO2 on Si; (2) the identification in the near-interfacial region of SiO2 structural differences between radiation hard and soft gate oxides; (3) the direct observation of radiation-induced damage sites in thermal SiO2 with XPS using in situ electron stress; (4) the correlation of suboxide state distributions at the SiO2/Si interface with processing parameters and radiation susceptibility; (5) the development of a chemical mechanism for radiation-induced interface state generation in SiO2/Si structures; and (6) the development benign chemical profiling techniques which permit the investigation of oxide/semiconductor structures using surface sensitive electron spectroscopic techniques.

  18. The radiation chemistry of ionic liquids: A review

    DOE PAGES

    Mincher, Bruce J.; Wishart, James F.

    2014-07-03

    Ionic liquids have received increasing attention as media for radiochemical separations. Recent literature includes examinations of the efficiencies and mechanisms of the solvent extraction of lanthanides, actinides and fission products into ionic liquid solutions. For radiochemical applications, including as replacement solvents for nuclear fuel reprocessing, a thorough understanding of the radiation chemistry of ionic liquids will be required. Such an understanding can be achieved based on a combination of steady-state radiolysis experiments coupled with post-irradiation product identification and pulse-radiolysis experiments to acquire kinetic information. These techniques allow for the elucidation of radiolytic mechanisms. This contribution reviews the current ionic liquidmore » radiation chemistry literature as it affects separations, with these considerations in mind.« less

  19. The radiation chemistry of ionic liquids: A review

    SciTech Connect

    Mincher, Bruce J.; Wishart, James F.

    2014-07-03

    Ionic liquids have received increasing attention as media for radiochemical separations. Recent literature includes examinations of the efficiencies and mechanisms of the solvent extraction of lanthanides, actinides and fission products into ionic liquid solutions. For radiochemical applications, including as replacement solvents for nuclear fuel reprocessing, a thorough understanding of the radiation chemistry of ionic liquids will be required. Such an understanding can be achieved based on a combination of steady-state radiolysis experiments coupled with post-irradiation product identification and pulse-radiolysis experiments to acquire kinetic information. These techniques allow for the elucidation of radiolytic mechanisms. This contribution reviews the current ionic liquid radiation chemistry literature as it affects separations, with these considerations in mind.

  20. Chemistry of radiation damage to wire chambers

    SciTech Connect

    Wise, J.

    1992-08-01

    Proportional counters are used to study aspects of radiation damage to wire chambers (wire aging). Principles of low-pressure, rf plasma chemistry are used to predict the plasma chemistry in electron avalanches (1 atm, dc). (1) Aging is studied in CF{sub 4}/iC{sub 4}H{sub 10} gas mixtures. Wire deposits are analyzed by Auger electron spectroscopy. An apparent cathode aging process resulting in loss of gain rather than in a self-sustained current is observed in CF{sub 4}-rich gases. A four-part model considering plasma polymerization of the hydrocarbon, etching of wire deposits by CF{sub 4}, acceleration of deposition processes in strongly etching environments, and reactivity of the wire surface is developed to understand anode wire aging in CF{sub 4}/iC{sub 4}H{sub 10} gases. Practical guidelines suggested by the model are discussed. (2) Data are presented to suggest that trace amounts of Freons do not affect aging rates in either dimethyl ether or Ar/C{sub 2}H{sub 6}. Apparent loss of gain is explained by attachment of primary electrons to a continuously increasing concentration of Freon 11 (CCl{sub 3}F) in the counter gas. An increase in the concentration of Freon 11 in dimethyl ether is caused by a distillation process in the gas supply bottle and is a natural consequence of the unequal volatilities of the two compounds.

  1. Radiation Chemistry 2008 Gordon Research Conference - July 6-11, 2008

    SciTech Connect

    David M. Bartels

    2009-05-15

    Radiation Chemistry is chemistry initiated by ionizing radiation: i.e. photons or particles with energy sufficient to create charge pairs and/or free radicals in a medium. The important transients include conduction band electrons and 'holes', excitons, ionic and neutral free radicals, highly excited states, and solvated electrons. Effects of radiation span timescales from the energy deposition in femtoseconds, through geminate recombination in picoseconds and nanoseconds, to fast radical chemistry in microseconds and milliseconds, and ultimately to processes like cancer occurring decades later. The radiation sources used to study these processes likewise run from femtosecond lasers to nanosecond accelerators to years of gamma irradiation. As a result the conference has a strong interdisciplinary flavor ranging from fundamental physics to clinical biology. While the conference focuses on fundamental science, application areas highlighted in the present conference will include nuclear power, polymer processing, and extraterrestrial chemistry.

  2. Plasma chemistry and its applications

    NASA Technical Reports Server (NTRS)

    Hozumi, K.

    1980-01-01

    The relationship between discharge phenomena and plasma chemistry, as well as the equipment and mechanisms of plasma chemical reactions are described. Various areas in which plasma chemistry is applied are surveyed, such as: manufacturing of semiconductor integrated circuits; synthetic fibers; high polymer materials for medical uses; optical lenses; and membrane filters (reverse penetration films).

  3. Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

    SciTech Connect

    Wishart, J.F.

    2011-06-12

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs generally have low volatilities and are combustion-resistant, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of primary radiation chemistry, charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of reactions and product distributions. We study these issues by characterization of primary radiolysis products and measurements of their yields and reactivity, quantification of electron solvation dynamics and scavenging of electrons in different states of solvation. From this knowledge we wish to learn how to predict radiolytic mechanisms and control them or mitigate their effects on the properties of materials used in nuclear fuel processing, for example, and to apply IL radiation chemistry to answer questions about general chemical reactivity in ionic liquids that will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that the slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increase the importance of pre-solvated electron reactivity and consequently alter product distributions and subsequent chemistry. This difference from conventional solvents has profound effects on predicting and controlling radiolytic yields

  4. 2012 RADIATION CHEMISTRY GORDON RESEARCH CONFERENCE AND GORDON RESEARCH SEMINAR, JULY 28, - AUGUST 3, 2012

    SciTech Connect

    y LaVerne

    2012-08-03

    The overarching objective of this conference is to catalyze the interchange of new ideas and recent discoveries within the basic radiation sciences of physics, chemistry, and biology, and to facilitate translating this knowledge to applications in medicine and industry. The 9 topics for the GRC are: "œFrom Energy Absorption to Disease", "œBiodosimetry after a Radiological Incident," "œTrack Structure and Low Energy Electrons," "Free Radical Processes in DNA and Proteins," "Irradiated Polymers for Industrial/ Medical Applications," "Space Radiation Chemistry/Biology," "Nuclear Power and Waste Management," "Nanoparticles and Surface Interfaces", and the "Young Investigator" session.

  5. RADIATION CHEMISTRY 2010 GORDON RESEARCH CONFERENCE JULY 18-23

    SciTech Connect

    Thomas Orlando

    2010-07-23

    The 2010 Gordon Conference on Radiation Chemistry will present cutting edge research regarding the study of radiation-induced chemical transformations. Radiation Chemistry or 'high energy' chemistry is primarily initiated by ionizing radiation: i.e. photons or particles with energy sufficient to create conduction band electrons and 'holes', excitons, ionic and neutral free radicals, highly excited states, and solvated electrons. These transients often interact or 'react' to form products vastly different than those produced under thermal equilibrium conditions. The non-equilibrium, non-thermal conditions driving radiation chemistry exist in plasmas, star-forming regions, the outer solar system, nuclear reactors, nuclear waste repositories, radiation-based medical/clinical treatment centers and in radiation/materials processing facilities. The 2010 conference has a strong interdisciplinary flavor with focus areas spanning (1) the fundamental physics and chemistry involved in ultrafast (atto/femtosecond) energy deposition events, (2) radiation-induced processes in biology (particularly spatially resolved studies), (3) radiation-induced modification of materials at the nanoscale and cosmic ray/x-ray mediated processes in planetary science/astrochemistry. While the conference concentrates on fundamental science, topical applied areas covered will also include nuclear power, materials/polymer processing, and clinical/radiation treatment in medicine. The Conference will bring together investigators at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present work in poster format or as contributors to the Young Investigator session. The program and format provides excellent avenues to promote cross-disciplinary collaborations.

  6. Principles and Techniques of Radiation Chemistry.

    ERIC Educational Resources Information Center

    Dorfman, Leon M.

    1981-01-01

    Discusses the physical processes involved in the deposition of energy from ionizing radiation in the absorber system. Identifies principles relevant to these processes which are responsible for ionization and excitation of the components of the absorber system. Briefly describes some experimental techniques in use in radiation chemical studies.…

  7. The radiation chemistry of polymer composites

    NASA Astrophysics Data System (ADS)

    Dole, Malcolm

    With the use of plastics in the construction of space satellites which may be exposed in geosynchronous orbit to 100 MGy (10,000 Mrad) of high-energy radiation in 30 years of use, the effect of these radiations on the polymer becomes of practical importance. To understand the effects we consider first various radiation-resistant groups that are incorporated into the polymer and their relative effectiveness in reducing molecular scissions due to the radiation. The location of such groups in the polymer is also discussed. Next the chemical structures of a number of resins such as epoxies, polyimides, etc. are described followed by a detailed account of methods of improving the radiation resistance of plastics by the incorporation of carbon or glass fibers. Finally, the role of oxygen in causing chain scissions and other effects during irradiation which reduce the mechanical strength of the plastics and the fiber resin composites are also considered.

  8. High fidelity chemistry and radiation modeling for oxy -- combustion scenarios

    NASA Astrophysics Data System (ADS)

    Abdul Sater, Hassan A.

    To account for the thermal and chemical effects associated with the high CO2 concentrations in an oxy-combustion atmosphere, several refined gas-phase chemistry and radiative property models have been formulated for laminar to highly turbulent systems. This thesis examines the accuracies of several chemistry and radiative property models employed in computational fluid dynamic (CFD) simulations of laminar to transitional oxy-methane diffusion flames by comparing their predictions against experimental data. Literature review about chemistry and radiation modeling in oxy-combustion atmospheres considered turbulent systems where the predictions are impacted by the interplay and accuracies of the turbulence, radiation and chemistry models. Thus, by considering a laminar system we minimize the impact of turbulence and the uncertainties associated with turbulence models. In the first section of this thesis, an assessment and validation of gray and non-gray formulations of a recently proposed weighted-sum-of-gray gas model in oxy-combustion scenarios was undertaken. Predictions of gas, wall temperatures and flame lengths were in good agreement with experimental measurements. The temperature and flame length predictions were not sensitive to the radiative property model employed. However, there were significant variations between the gray and non-gray model radiant fraction predictions with the variations in general increasing with decrease in Reynolds numbers possibly attributed to shorter flames and steeper temperature gradients. The results of this section confirm that non-gray model predictions of radiative heat fluxes are more accurate than gray model predictions especially at steeper temperature gradients. In the second section, the accuracies of three gas-phase chemistry models were assessed by comparing their predictions against experimental measurements of temperature, species concentrations and flame lengths. The chemistry was modeled employing the Eddy

  9. Phase chemistry, structure, and radiation effects in lunar samples.

    PubMed

    Arrhenius, G; Asunmaa, S; Drever, J I; Everson, J; Fitzgerald, R W; Frazer, J Z; Fujita, H; Hanor, J S; Lal, D; Liang, S S; Macdougall, D; Reid, A M; Sinkankas, J; Wilkening, L

    1970-01-30

    Phase chemistry, structure, and radiation effects were studied in rock, breccia, and soil samples. The regolith apparently developed in the final stages of accretion and was modified by later impact processes and radiation weathering. Exposure ages indicate transfer of buried igneous rock fragments to the near surface late in lunar history. With a few exceptions igneous rock fragments, soil, and breccia share the same distinctive chemistry, probably acquired before accretion of the moon. The igneous rocks texturally resemble basaltic achondrites, and the soil and breccias contain glassy spheres analogous to chondrules.

  10. Combinatorial Chemistry for Optical Sensing Applications

    NASA Astrophysics Data System (ADS)

    Díaz-García, M. E.; Luis, G. Pina; Rivero-Espejel, I. A.

    The recent interest in combinatorial chemistry for the synthesis of selective recognition materials for optical sensing applications is presented. The preparation, screening, and applications of libraries of ligands and chemosensors against molecular species and metal ions are first considered. Included in this chapter are also the developments involving applications of combinatorial approaches to the discovery of sol-gel and acrylic-based imprinted materials for optical sensing of antibiotics and pesticides, as well as libraries of doped sol-gels for high-throughput optical sensing of oxygen. The potential of combinatorial chemistry applied to the discovery of new sensing materials is highlighted.

  11. Ion-Molecule Reactions in Gas Phase Radiation Chemistry.

    ERIC Educational Resources Information Center

    Willis, Clive

    1981-01-01

    Discusses some aspects of the radiation chemistry of gases, focusing on the ion-molecule and charge neutralization reactions which set study of the gas phase apart. Uses three examples that illustrate radiolysis, describing the radiolysis of (1) oxygen, (2) carbon dioxide, and (3) acetylene. (CS)

  12. Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

    SciTech Connect

    Wishart,J.F.

    2008-09-29

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate

  13. Solved? The reductive radiation chemistry of alanine.

    PubMed

    Pauwels, Ewald; De Cooman, Hendrik; Waroquier, Michel; Hole, Eli O; Sagstuen, Einar

    2014-02-14

    The structural changes throughout the entire reductive radiation-induced pathway of l-α-alanine are solved on an atomistic level with the aid of periodic DFT and nudged elastic band (NEB) simulations. This yields unprecedented information on the conformational changes taking place, including the protonation state of the carboxyl group in the "unstable" and "stable" alanine radicals and the internal transformation converting these two radical variants at temperatures above 220 K. The structures of all stable radicals were verified by calculating EPR properties and comparing those with experimental data. The variation of the energy throughout the full radiochemical process provides crucial insight into the reason why these structural changes and rearrangements occur. Starting from electron capture, the excess electron quickly localizes on the carbon of a carboxyl group, which pyramidalizes and receives a proton from the amino group of a neighboring alanine molecule, forming a first stable radical species (up to 150 K). In the temperature interval 150-220 K, this radical deaminates and deprotonates at the carboxyl group, the detached amino group undergoes inversion and its methyl group sustains an internal rotation. This yields the so-called "unstable alanine radical". Above 220 K, triggered by the attachment of an additional proton on the detached amino group, the radical then undergoes an internal rotation in the reverse direction, giving rise to the "stable alanine radical", which is the final stage in the reductive radiation-induced decay of alanine.

  14. Radiation Chemistry of Simulated (99)Mo Product

    SciTech Connect

    Carson, S.D.; Garcia, M.J.; McDonald, M.J.; Simpson, R.L.; Tallant, D.R.

    1998-11-06

    PharrnaceuticaI houses that produce {sup 99}Tc/{sup 99}Tc generators have on occasion received {sup 99}Mo that contained a black precipitate. Addition of sodium hypochlorite to product bottles prior to shipment prevents precipitate formation, indicating the precipitate is a reduced form of Mo. The radiation effects of the dose from {sup 99}Mo on the product and product bottle have been determined by irradiating simulated {sup 99}Mo product solutions with the {sup 60}Co source at Sandia National Laboratories' Gamma Irradiation Facility (GE). The GIF experiment successfully generated a black precipitate in amounts sufficient for isolation and analysis by infrared and Rrunan spectroscopy. Changes in the pH of the basic {sup 99}Mo product solution during irradiation were monitored by titration. ResuIts of these analyses and the nature of the process that generates the precipitate, a mixture of molybdenum oxides that forms in plastic bottles, but not in glass containers, are discussed.

  15. IONIC LIQUIDS: RADIATION CHEMISTRY, SOLVATION DYNAMICS AND REACTIVITY PATTERNS.

    SciTech Connect

    WISHART,J.F.

    2007-10-01

    energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate the influence of ILs on charge transport processes. Methods. Picosecond pulse radiolysis studies at BNL

  16. Chemoinformatics-applications in food chemistry.

    PubMed

    Martinez-Mayorga, Karina; Medina-Franco, Jose L

    2009-01-01

    The aim of the present chapter is to present the current research and potential applications of chemoinformatics tools in food chemistry. First, the importance and variety of molecular descriptors and physicochemical properties is delineated, and then a survey and chemical space analysis of representative databases with emphasis on food-related ones is presented. A brief description of methods commonly used in molecular design, followed by examples in food chemistry are presented, such methods include similarity searching, pharmacophore modeling, quantitative structure-activity relationships (QSAR), and molecular docking. The relatedness to virtual screening is emphasized and the perspectives from this field are presented at the end.

  17. Early events in radiation chemistry and in photoionization

    SciTech Connect

    Trifunac, A.D.; Loffredo, D.M.; Liu, A.-D.

    1992-01-01

    Real-time studies of aliphatic and aromatic hydrocarbons by pulse radiolysis and laser photoionization reveal the chemistry of the ionic species in the condensed phase. The occurrence of radical cation reactions with solvent molecules provides the core mechanism capable of explaining a wide range of observations in photoionization and radiation chemistry. The study of products and transients in photoionization of aromatic solutes in hydrocarbon and alcohol solvent illustrates several details of this high-energy'' chemistry. A reaction pathway involving ion-molecule reaction of excited ions is indicated for a series of polycyclic aromatic hydrocarbons photoionized using intense excimer laser (248 and 308 nm) pulses in hydrocarbon and alcohol solutions. We have found that condensed-phase ion-molecule reactions in radiolysis are ubiquitous and we speculate on their overall role in hydrocarbon radiolysis.

  18. Early events in radiation chemistry and in photoionization

    SciTech Connect

    Trifunac, A.D.; Loffredo, D.M.; Liu, A.-D.

    1992-12-31

    Real-time studies of aliphatic and aromatic hydrocarbons by pulse radiolysis and laser photoionization reveal the chemistry of the ionic species in the condensed phase. The occurrence of radical cation reactions with solvent molecules provides the core mechanism capable of explaining a wide range of observations in photoionization and radiation chemistry. The study of products and transients in photoionization of aromatic solutes in hydrocarbon and alcohol solvent illustrates several details of this ``high-energy`` chemistry. A reaction pathway involving ion-molecule reaction of excited ions is indicated for a series of polycyclic aromatic hydrocarbons photoionized using intense excimer laser (248 and 308 nm) pulses in hydrocarbon and alcohol solutions. We have found that condensed-phase ion-molecule reactions in radiolysis are ubiquitous and we speculate on their overall role in hydrocarbon radiolysis.

  19. Radiation chemistry in solvent etxraction: FY2011 research

    SciTech Connect

    Bruce J. Mincher; Stephen P. Mezyk; Leigh R. Martin

    2011-09-01

    This report summarizes work accomplished under the Fuel Cycle Research and Development (FCR&D) program in the area of radiation chemistry during FY 2011. The tasks assigned during FY 2011 included: (1) Continue measurements free radical reaction kinetics in the organic phase; (2) Continue development of an alpha-radiolysis program and compare alpha and gamma radiolysis for CMPO; (3) Initiate an effort to understand dose rate effects in radiation chemistry; and (4) Continued work to characterize TALSPEAK radiation chemistry, including the examination of metal complexed ligand kinetics. Progress made on each of these tasks is reported here. Briefly, the method developed to measure the kinetics of the reactions of the NO3 radical with solvent extraction ligands in organic solution during FY10 was extended here to a number of compounds to better understand the differences between radical reactions in the organic versus aqueous phases. The alpha-radiolysis program in FY11 included irradiations of CMPO solutions with 244Cm, 211At and the He ion beam, for comparison to gamma irradiations, and a comparison of the gamma irradiation results for CMPO at three different gamma dose rates. Finally, recent results for TALSPEAK radiolysis are reported, summarizing the latest in an effort to understand how metal complexation to ligands affects their reaction kinetics with free radicals.

  20. Chemical applications of synchrotron radiation: Workshop report

    SciTech Connect

    Not Available

    1989-04-01

    The most recent in a series of topical meetings for Advanced Photon Source user subgroups, the Workshop on Chemical Applications of Synchrotron Radiation (held at Argonne National Laboratory, October 3-4, 1988) dealt with surfaces and kinetics, spectroscopy, small-angle scattering, diffraction, and topography and imaging. The primary objectives were to provide an educational resource for the chemistry community on the scientific research being conducted at existing synchrotron sources and to indicate some of the unique opportunities that will be made available with the Advanced Photon Source. The workshop organizers were also interested in gauging the interest of chemists in the field of synchrotron radiation. Interest expressed at the meeting has led to initial steps toward formation of a Chemistry Users Group at the APS. Individual projects are processed separately for the data bases.

  1. Radiation chemistry in solvent extraction: FY2010 Research

    SciTech Connect

    Bruce J. Mincher; Leigh R. Martin; Stephen P. Mezyk

    2010-09-01

    This report summarizes work accomplished under the Fuel Cycle Research and Development (FCR&D) program in the area of radiation chemistry during FY 2010. The tasks assigned during FY 2010 included: • Development of techniques to measure free radical reaction kinetics in the organic phase. • Initiation of an alpha-radiolysis program • Initiation of an effort to understand dose rate effects in radiation chemistry • Continued work to characterize TALSPEAK radiation chemistry Progress made on each of these tasks is reported here. Briefly, a method was developed and used to measure the kinetics of the reactions of the •NO3 radical with solvent extraction ligands in organic solution, and the method to measure •OH radical reactions under the same conditions has been designed. Rate constants for the CMPO and DMDOHEMA reaction with •NO3 radical in organic solution are reported. Alpha-radiolysis was initiated on samples of DMDOHEMA in alkane solution using He ion beam irradiation and 211At isotope irradiation. The samples are currently being analyzed for comparison to DMDOHEMA ?-irradiations using a custom-developed mass spectrometric method. Results are also reported for the radiolytic generation of nitrous acid, in ?-irradiated nitric acid. It is shown that the yield of nitrous acid is unaffected by an order-of-magnitude change in dose rate. Finally, recent results for TALSPEAK radiolysis are reported, summarizing the effects on solvent extraction efficiency due to HDEHP irradiation, and the stable products of lactic acid and DTPA irradiation. In addition, results representing increased scope are presented for the radiation chemistry program. These include an investigation of the effect of metal complexation on radical reaction kinetics using DTPA as an example, and the production of a manuscript reporting the mechanism of Cs-7SB radiolysis. The Cs-7SB work takes advantage of recent results from a current LDRD program to understand the fundamental chemistry

  2. Global simulation of chemistry and radiative forcing of mineral aerosols

    SciTech Connect

    Zhang, Yang; Easter, R.C.; Ghan, S.J.; Leung, L.R.

    1996-12-31

    Mineral aerosols are increasingly gaining attention because of their roles in atmospheric chemistry and climate system. A global three-dimensional aerosol/chemistry model (GChM) coupled with a general circulation model (GCM) is used to simulate the sources/sinks, chemistry and radiative forcing of mineral aerosols. Regional and seasonal variations in distribution of mineral aerosols are predicted based on vegetation types, threshold wind velocities and soil moisture data. The role of mineral aerosols as a reactive surface available for heterogeneous uptake of gas-phase species in the global atmosphere is investigated along with their impact on the tropospheric sulfur cycle and the photochemical oxidant cycle. In particular, the heterogeneous surface reactions of SO{sub 2}, H{sub 2}SO{sub 4}, NO{sub 3}, N{sub 2}O{sub 5}, HNO{sub 3}, O{sub 3}, OH, HO{sub 2}, H{sub 2}O{sub 2} and CH{sub 3}O{sub 2} on mineral aerosols are simulated. The direct radiative forcing by mineral aerosols and the indirect forcing through influencing droplet number concentration are further estimated. The model simulation results are analyzed and compared against the available observational data.

  3. Applications of physical chemistry to glass technology

    NASA Astrophysics Data System (ADS)

    Stewart, Ogie Gregory

    2001-07-01

    Industrial manufacturing of glass, called float glass, involves a process in which flat pieces of glass are produced by pouring molten glass on a bath of molten tin metal. The glass is then coated with thin film coatings for such applications as solar radiation control and "privacy" glass. In this thesis, principles of physical chemistry are applied to selected aspects of glass production and thin film coatings in an effort to better understand these processes with the hope of improving film and glass quality. The research described here consists of three major studies. Part 1 describes the production of thin films by Atmospheric Pressure Chemical Vapor Deposition (APCVD) and characterization of the films by various analytical techniques. Vanadium oxide films were produced from vanadium (IV) chloride and each of several alcohols to determine the feasibility of this method of deposition and to investigate its use in an electrochromic device. The focus here was to investigate the levels of carbon contamination in the films. It was found that the level of carbon present in the films depend on the type of amine used. Part 2 is an investigation of the flow dynamics that occur during the two thin film deposition processes. APCVD and Powder Spray Pyrolysis (PSP). Information regarding flow dynamics and particle distribution in the region above the films' substrates were obtained and related to film formation and quality. Part 3 is a kinetic study of the gas phase reactions that occur in the vapor region above the glass during float glass production. A kinetic model of the possible reactions was devised and integrated to predict the formation of these impurities with time. An experimental setup to test the model's predictions is also discussed. The research described in this thesis lays the groundwork for several possibilities for future work. Electrochromic films can be produced by APCVD to construct an all-solid-state device. Two dimensional imaging coupled with Laser

  4. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1990-01-01

    The primary tasks during January 1990 to June 1990 have been the development and evaluation of various electron and electron-electronic energy equation models, the continued development of improved nonequilibrium radiation models for molecules and atoms, and the continued development and investigation of precursor models and their effects. In addition, work was initiated to develop a vibrational model for the viscous shock layer (VSL) nonequilibrium chemistry blunt body engineering code. Also, an effort was started associated with the effects of including carbon species, say from an ablator, in the flowfield.

  5. Applications of Spectroscopy to Studying Atmospheric Chemistry

    NASA Astrophysics Data System (ADS)

    Simpson, W. R.; Apodaca, R.; Carlson, D. A.

    2007-12-01

    Spectroscopic techniques are finding increased applications in studies of atmospheric chemistry because of inherent advantages in the techniques and technological improvements in optical and computer components. There are many advantages of using spectroscopy for study of chemistry. Spectroscopy is absolutely calibrated and thus requires only validation, reducing the need for consumable standards and reducing size and weight. Generally, spectroscopic instruments can be built from inexpensive solid-state components with few or no moving parts, improving long-term reliability. Huge advances in optoelectronic components, such as availability of diode lasers, cheap imaging detectors, light emitting diodes, have widened the breadth of applications and reduced costs. In this presentation, we discuss two recent applications of atmospheric spectroscopy that exploit these advantages. In the first application, our group has used off-axis Cavity Ring-Down Spectroscopy (oaCRDS) to make a small and inexpensive detector for nitrate radicals (NO3) and dinitrogen pentoxide (N2O5), which are atmospherically important nitrogen oxides the dominate reactivity during nighttime. This instrument fits in a small waterproof case that is (98cm x 40cm x 15cm), weighs less than 25kg, and uses an inexpensive diode laser. The instrument was recently incompared to a number of other techniques for measuring these gases and showed excellent performance. In a second application, we have used multiple-axis Differential Optical Absorption Spectroscopy (MAXDOAS) to measure halogen oxides and other UV-absorbing gases at remote locations. This instrument will be a part of an autonomous chemical-measuring buoy that will be deployed on the Arctic Ice. The instrument will make measurements and telemeter the data back via an iridium satellite modem. Our MAXDOAS instrument is very small, inexpensive, and uses only 2 watts of power, allowing long life when operating on batteries. Many features were built into

  6. The effects of atmospheric chemistry on radiation budget in the Community Earth Systems Model

    NASA Astrophysics Data System (ADS)

    Choi, Y.; Czader, B.; Diao, L.; Rodriguez, J.; Jeong, G.

    2013-12-01

    The Community Earth Systems Model (CESM)-Whole Atmosphere Community Climate Model (WACCM) simulations were performed to study the impact of atmospheric chemistry on the radiation budget over the surface within a weather prediction time scale. The secondary goal is to get a simplified and optimized chemistry module for the short time period. Three different chemistry modules were utilized to represent tropospheric and stratospheric chemistry, which differ in how their reactions and species are represented: (1) simplified tropospheric and stratospheric chemistry (approximately 30 species), (2) simplified tropospheric chemistry and comprehensive stratospheric chemistry from the Model of Ozone and Related Chemical Tracers, version 3 (MOZART-3, approximately 60 species), and (3) comprehensive tropospheric and stratospheric chemistry (MOZART-4, approximately 120 species). Our results indicate the different details in chemistry treatment from these model components affect the surface temperature and impact the radiation budget.

  7. Radiation chemistry of salicylic and methyl substituted salicylic acids: Models for the radiation chemistry of pharmaceutical compounds

    NASA Astrophysics Data System (ADS)

    Ayatollahi, Shakiba; Kalnina, Daina; Song, Weihua; Turks, Maris; Cooper, William J.

    2013-11-01

    Salicylic acid and its derivatives are components of many medications and moieties found in numerous pharmaceutical compounds. They have been used as models for various pharmaceutical compounds in pharmacological studies, for the treatment of pharmaceuticals and personal care products (PPCPs), and, reactions with natural organic matter (NOM). In this study, the radiation chemistry of benzoic acid, salicylic acid and four methyl substituted salicylic acids (MSA) is reported. The absolute bimolecular reaction rate constants for hydroxyl radical reaction with benzoic and salicylic acids as well as 3-methyl-, 4-methyl-, 5-methyl-, and 6-methyl-salicylic acid were determined (5.86±0.54)×109, (1.07±0.07)×1010, (7.48±0.17)×109, (7.31±0.29)×109, (5.47±0.25)×109, (6.94±0.10)×109 (M-1 s-1), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×109, (8.98±0.27)×109, (5.39±0.21)×109, (4.33±0.17)×109, (4.72±0.15)×109, (1.42±0.02)×109 (M-1 s-1), respectively. The transient absorption spectra for the six model compounds were examined and their role as model compounds for the radiation chemistry of pharmaceuticals investigated.

  8. Experimental design in analytical chemistry--part II: applications.

    PubMed

    Ebrahimi-Najafabadi, Heshmatollah; Leardi, Riccardo; Jalali-Heravi, Mehdi

    2014-01-01

    This paper reviews the applications of experimental design to optimize some analytical chemistry techniques such as extraction, chromatography separation, capillary electrophoresis, spectroscopy, and electroanalytical methods.

  9. Medical applications of synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Thomlinson, W.

    1992-08-01

    Ever since the first diagnostic X-ray was done in the United States on February 3, 1896, the application of ionizing radiation to the field of medicine has become increasingly important. Both in clinical medicine and basic research the use of X-rays for diagnostic imaging and radiotheraphy is now widespread. Radiography, angiography, CAT and PETT scanning, mammography, and nuclear medicine are all examples of technologies developed to image the human anatomy. In therapeutic applications, both external and internal sources of radiation are applied to the battle against cancer. The development of dedicated synchrotron radiation sources has allowed exciting advances to take place in many of these applications. The new sources provide tunable, high-intensity monochromatic beams over a wide range of energies which can be tailored to specific programmatc needs. This paper surveys those areas of medical research in which synchrotron radiation facilities are actively involved.

  10. Medical applications of synchrotron radiation

    SciTech Connect

    Thomlinson, W.

    1991-10-01

    Ever since the first diagnostic x-ray was done in the United States on February 3, 1896, the application of ionizing radiation to the field of medicine has become increasingly important. Both in clinical medicine and basic research the use of x-rays for diagnostic imaging and radiotherapy is now widespread. Radiography, angiography, CAT and PETT scanning, mammography, and nuclear medicine are all examples of technologies developed to image the human anatomy. In therapeutic applications, both external and internal sources of radiation are applied to the battle against cancer. The development of dedicated synchrotron radiation sources has allowed exciting advances to take place in many of these applications. The new sources provide tunable, high-intensity monochromatic beams over a wide range of energies which can be tailored to specific programmatic needs. This paper surveys those areas of medical research in which synchrotron radiation facilities are actively involved.

  11. Medical Applications of Synchrotron Radiation

    DOE R&D Accomplishments Database

    Thomlinson, W.

    1991-10-01

    Ever since the first diagnostic x-ray was done in the United States on February 3, 1896, the application of ionizing radiation to the field of medicine has become increasingly important. Both in clinical medicine and basic research the use of x-rays for diagnostic imaging and radiotherapy is now widespread. Radiography, angiography, CAT and PETT scanning, mammography, and nuclear medicine are all examples of technologies developed to image the human anatomy. In therapeutic applications, both external and internal sources of radiation are applied to the battle against cancer. The development of dedicated synchrotron radiation sources has allowed exciting advances to take place in many of these applications. The new sources provide tunable, high-intensity monochromatic beams over a wide range of energies which can be tailored to specific programmatic needs. This paper surveys those areas of medical research in which synchrotron radiation facilities are actively involved.

  12. Radiation chemistry of alternative fuel oxygenates -- Substituted ethers

    SciTech Connect

    Mezyk, S. P.; Cooper, W. J.; Bartels, D. M.; Tobien, T.; O'Shea, K. E.

    1999-11-15

    The electron beam process, an advanced oxidation and reduction technology, is based in the field of radiation chemistry. Fundamental to the development of treatment processes is an understanding of the underlying chemistry. The authors have previously evaluated the bimolecular rate constants for the reactions of methyl tert-butyl ether (MTBE) and with this study have extended their studies to include ethyl tert-butyl ether (ETBE), di-isopropyl ether (DIPE) and tert-amyl methyl ether (TAME) with the hydroxyl radical, hydrogen atom and solvated electron using pulse radiolysis. For all of the oxygenates the reaction with the hydroxyl radical appears to be of primary interest in the destruction of the compounds in water. The rates with the solvated electron are limiting values as the rates appear to be relatively low. The hydrogen atom rate constants are relatively low, coupled with the low yield in radiolysis, they concluded that these are of little significance in the destruction of the alternative fuel oxygenates (and MTBE).

  13. US Reanalysis for Climate and Chemistry Applications

    NASA Technical Reports Server (NTRS)

    Rood, Richard B.; Atlas, Robert M. (Technical Monitor)

    2001-01-01

    The Data Assimilation Office will perform a short reanalysis with its next-generation data assimilation system. This reanalysis will start a few months prior to the eruption of El Chichon and continue to real time. It will cover the entire time span of the Upper Atmospheric Research Satellite mission, and it is expected to be used in chemistry and climate applications. The sorts of improvements that are expected with this system and the status will be presented. In addition there has been a call in the United States for a National Reanalysis Project. This is envisioned as a sustained multi-agency activity coordinated (staggered) with the ECMWF reanalysis. The plans for the National Reanalysis Project will be discussed.

  14. Strontium: Part II. Chemistry, Biological Aspects and Applications.

    ERIC Educational Resources Information Center

    Britton, G. C.; Johnson, C. H.

    1987-01-01

    Reviews basic information on the Chemistry of strontium and its compounds. Explains biological aspects of strontium and its pharmaceutical applications. Highlights industrial application of strontium and its components. (ML)

  15. Radiation biodosimetry: Applications for spaceflight

    NASA Astrophysics Data System (ADS)

    Blakely, W. F.; Miller, A. C.; Grace, M. B.; McLeland, C. B.; Luo, L.; Muderhwa, J. M.; Miner, V. L.; Prasanna, P. G. S.

    The multiparametric dosimetry system that we are developing for medical radiological defense applications could be adapted for spaceflight environments. The system complements the internationally accepted personnel dosimeters and cytogenetic analysis of chromosome aberrations, considered the best means of documenting radiation doses for health records. Our system consists of a portable hematology analyzer, molecular biodosimetry using nucleic acid and antigen-based diagnostic equipment, and a dose assessment management software application. A dry-capillary tube reagent-based centrifuge blood cell counter (QBC Autoread Plus, Beckon Dickinson Bioscience) measures peripheral blood lymphocytes and monocytes, which could determine radiation dose based on the kinetics of blood cell depletion. Molecular biomarkers for ionizing radiation exposure (gene expression changes, blood proteins) can be measured in real time using such diagnostic detection technologies as miniaturized nucleic acid sequences and antigen-based biosensors, but they require validation of dose-dependent targets and development of optimized protocols and analysis systems. The Biodosimetry Assessment Tool, a software application, calculates radiation dose based on a patient's physical signs and symptoms and blood cell count analysis. It also annotates location of personnel dosimeters, displays a summary of a patient's dosimetric information to healthcare professionals, and archives the data for further use. These radiation assessment diagnostic technologies can have dual-use applications supporting general medical-related care.

  16. Applications of forensic chemistry to environmental work.

    PubMed

    Saber, Diane L; Mauro, David; Sirivedhin, Tanita

    2005-12-01

    Recent trends in environmental remediation have increasingly employed the use of environmental chemistry techniques to decipher the source(s) and fate of the contaminants and, in some cases, to determine their age or apportion them to sources. An extensive database of pyrogenic and petrogenic 'chemical fingerprints' has been constructed by the Gas Technology Institute (GTI) and META Environmental, Inc. using gas chromatography coupled with a flame ionization detector (GC/FID) or with a mass spectrometer (GC/MS). The use of these chemical fingerprinting techniques have been highly successful in discerning wastes from wholly different sources as well as among Manufactured Gas Plant (MGP)-type wastes from different plant operations. However, these techniques have been limited when low-level polycyclic aromatic hydrocarbon (PAH) discernment is required. Specifically, these techniques often do not provide data with sufficient conclusive discriminating power between the 'urban background'PAH sources and those from MGP-operations, which is pertinent for meeting low-level, stringent site-cleanup standards. GTI has been developing a new analytical method for the measurement of 'urban background' PAH contamination. This method measures the compound-specific isotope ratio (CSIR) carbon with a GC/IRMS (isotope ratio mass spectrometer). The GC/IRMS technique is a relatively new analytical tool that has great potential as an environmental forensic method at former MGP sites. This paper focuses on the applications of both chemical and isotopic analysis of samples to discern PAH contamination in the environment. PMID:16078068

  17. Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry.

    PubMed

    Allen, Frank H; Motherwell, W D Samuel

    2002-06-01

    The Cambridge Structural Database (CSD) and its associated software systems have formed the basis for more than 800 research applications in structural chemistry, crystallography and the life sciences. Relevant references, dating from the mid-1970s, and brief synopses of these papers are collected in a database, DBUse, which is freely available via the CCDC website. This database has been used to review research applications of the CSD in organic chemistry, including supramolecular applications, and in organic crystal chemistry. The review concentrates on applications that have been published since 1990 and covers a wide range of topics, including structure correlation, conformational analysis, hydrogen bonding and other intermolecular interactions, studies of crystal packing, extended structural motifs, crystal engineering and polymorphism, and crystal structure prediction. Applications of CSD information in studies of crystal structure precision, the determination of crystal structures from powder diffraction data, together with applications in chemical informatics, are also discussed.

  18. Density Functionals with Broad Applicability in Chemistry

    SciTech Connect

    Zhao, Yan; Truhlar, Donald G.

    2008-02-01

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Although density functional theory is widely used in the computational chemistry community, the most popular density functional, B3LYP, has some serious shortcomings: (i) it is better for main-group chemistry than for transition metals; (ii) it systematically underestimates reaction barrier heights; (iii) it is inaccurate for interactions dominated by mediumrange correlation energy, such as van der Waals attraction, aromatic-aromatic stacking, and alkane isomerization energies. We have developed a variety of databases for testing and designing new density functionals. We used these data to design new density functionals, called M06-class (and, earlier, M05-class) functionals, for which we enforced some fundamental exact constraints such as the uniform-electron-gas limit and the absence of self-correlation energy. Our M06-class functionals depend on spin-up and spin-down electron densities (i.e., spin densities), spin density gradients, spin kinetic energy densities, and, for nonlocal (also called hybrid) functionals, Hartree-Fock exchange. We have developed four new functionals that overcome the above-mentioned difficulties: (a) M06, a hybrid meta functional, is a functional with good accuracy “across-theboard” for transition metals, main group thermochemistry, medium-range correlation energy, and barrier heights; (b) M06- 2X, another hybrid meta functional, is not good for transition metals but has excellent performance for main group chemistry, predicts accurate valence and Rydberg electronic excitation energies, and is an excellent functional for aromatic-aromatic stacking interactions; (c) M06-L is not as accurate as M06 for barrier heights but is the most accurate

  19. Fluorine Compounds and Dental Health: Applications of General Chemistry Topics

    ERIC Educational Resources Information Center

    Pinto, Gabriel

    2009-01-01

    An example about the use of everyday phenomena in teaching general chemistry is given. Students have a greater appreciation of the principles of chemistry if they can see the relevance to their lives. Fluorine compounds in dental applications (as topical or as systemic use) provide an excellent context in which to review core content of general…

  20. Active Learning Applications in the History of Chemistry: Pre-Service Chemistry Teachers' Level of Knowledge and Views

    ERIC Educational Resources Information Center

    Sendur, Gülten; Polat, Merve; Toku, Abdullah; Kazanci, Coskun

    2014-01-01

    This study aims to investigate the effects of a History and Philosophy of Chemistry-I course based on active learning applications on the level of knowledge of pre-service chemistry teachers about the history of chemistry. The views of pre-service chemistry teachers about these activities were also investigated. The study was carried out with 38…

  1. Practical Applications of Radioactivity and Nuclear Radiations

    NASA Astrophysics Data System (ADS)

    Lowenthal, Gerhart; Airey, Peter

    2005-09-01

    1. Atoms, nuclides and radionuclides; 2. Units and standards for radioactivity and radiation dosimetry and rules for radiation protection; 3. Properties of radiations emitted from radionuclides; 4. Nuclear radiations from a user's perspective; 5. Ionising radiation detectors; 6. Radioactivity and countrate measurements and the presentation of results; 7. Industrial applications of radioisotopes and radiation; 8. Application of tracer technology to industry and the environment; 9. Radionuclides to protect the environment.

  2. Practical Applications of Radioactivity and Nuclear Radiations

    NASA Astrophysics Data System (ADS)

    Lowenthal, Gerhart; Airey, Peter

    2001-08-01

    1. Atoms, nuclides and radionuclides; 2. Units and standards for radioactivity and radiation dosimetry and rules for radiation protection; 3. Properties of radiations emitted from radionuclides; 4. Nuclear radiations from a user's perspective; 5. Ionising radiation detectors; 6. Radioactivity and countrate measurements and the presentation of results; 7. Industrial applications of radioisotopes and radiation; 8. Application of tracer technology to industry and the environment; 9. Radionuclides to protect the environment.

  3. Decoration of silk fibroin by click chemistry for biomedical application.

    PubMed

    Zhao, Hongshi; Heusler, Eva; Jones, Gabriel; Li, Linhao; Werner, Vera; Germershaus, Oliver; Ritzer, Jennifer; Luehmann, Tessa; Meinel, Lorenz

    2014-06-01

    Silkfibroin (SF) has an excellent biocompatibility and its remarkable structure translates into exciting mechanical properties rendering this biomaterial particularly fascinating for biomedical application. To further boost the material's biological/preclinical impact, SF is decorated with biologics, typically by carbodiimide/N-hydroxysuccinimide coupling (EDC/NHS). For biomedical application, this chemistry challenges the product risk profile due to the formation of covalent aggregates, particularly when decoration is with biologics occurring naturally in humans as these aggregates may prime for autoimmunity. Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC; click chemistry) provides the necessary specificity to avoid such intermolecular, covalent aggregates. We present a blueprint outlining the necessary chemistry rendering SF compatible with CuAAC and with a particular focus on structural consequences. For that, the number of SF carboxyl groups (carboxyl-SF; required for EDC/NHS chemistry) or azido groups (azido-SF; required for click chemistry) was tailored by means of diazonium coupling of the SF tyrosine residues. Structural impact on SF and decorated SF was characterized by Fourier transform infrared spectroscopy (FTIR). The click chemistry yielded a better controlled product as compared to the EDC/NHS chemistry with no formation of inter- and intramolecular crosslinks as demonstrated for SF decorated with fluorescent model compounds or a biologic, fibroblast growth factor 2 (FGF2), respectively. In conclusion, SF can readily be translated into a scaffold compatible with click chemistry yielding decorated products with a better risk profile for biomedical application.

  4. The Application of Physical Organic Chemistry to Biochemical Problems.

    ERIC Educational Resources Information Center

    Westheimer, Frank

    1986-01-01

    Presents the synthesis of the science of enzymology from application of the concepts of physical organic chemistry from a historical perspective. Summarizes enzyme and coenzyme mechanisms elucidated prior to 1963. (JM)

  5. Step-by-Step Simulation of Radiation of Radiation Chemistry Using Green Functions for Diffusion-Influenced Reactions

    NASA Technical Reports Server (NTRS)

    Plante, Ianik; Cucinotta, Francis A.

    2011-01-01

    The irradiation of biological systems leads to the formation of radiolytic species such as H(raised dot), (raised dot)OH, H2, H2O2, e(sup -)(sub aq), etc.[1]. These species react with neighboring molecules, which result in damage in biological molecules such as DNA. Radiation chemistry is there for every important to understand the radiobiological consequences of radiation[2]. In this work, we discuss an approach based on the exact Green Functions for diffusion-influenced reactions which may be used to simulate radiation chemistry and eventually extended to study more complex systems, including DNA.

  6. Modeling Interactions Among Turbulence, Gas-Phase Chemistry, Soot and Radiation Using Transported PDF Methods

    NASA Astrophysics Data System (ADS)

    Haworth, Daniel

    2013-11-01

    The importance of explicitly accounting for the effects of unresolved turbulent fluctuations in Reynolds-averaged and large-eddy simulations of chemically reacting turbulent flows is increasingly recognized. Transported probability density function (PDF) methods have emerged as one of the most promising modeling approaches for this purpose. In particular, PDF methods provide an elegant and effective resolution to the closure problems that arise from averaging or filtering terms that correspond to nonlinear point processes, including chemical reaction source terms and radiative emission. PDF methods traditionally have been associated with studies of turbulence-chemistry interactions in laboratory-scale, atmospheric-pressure, nonluminous, statistically stationary nonpremixed turbulent flames; and Lagrangian particle-based Monte Carlo numerical algorithms have been the predominant method for solving modeled PDF transport equations. Recent advances and trends in PDF methods are reviewed and discussed. These include advances in particle-based algorithms, alternatives to particle-based algorithms (e.g., Eulerian field methods), treatment of combustion regimes beyond low-to-moderate-Damköhler-number nonpremixed systems (e.g., premixed flamelets), extensions to include radiation heat transfer and multiphase systems (e.g., soot and fuel sprays), and the use of PDF methods as the basis for subfilter-scale modeling in large-eddy simulation. Examples are provided that illustrate the utility and effectiveness of PDF methods for physics discovery and for applications to practical combustion systems. These include comparisons of results obtained using the PDF method with those from models that neglect unresolved turbulent fluctuations in composition and temperature in the averaged or filtered chemical source terms and/or the radiation heat transfer source terms. In this way, the effects of turbulence-chemistry-radiation interactions can be isolated and quantified.

  7. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1994-01-01

    wave precursor ahead of vehicles entering the Earth's atmosphere. (8) Since considerable data exists for radiating nonequilibrium flow behind normal shock waves, a normal shock wave version of the blunt body code was developed. (9) By comparing predictions from the models and codes with available normal shock data and the flight data of Fire II, it is believed that the developed flowfield and nonequilibrium radiation models have been essentially validated for engineering applications.

  8. The G value in plasma and radiation chemistry

    NASA Technical Reports Server (NTRS)

    Baird, James K.; Miller, George P.; Li, Ning

    1990-01-01

    The application of the G-value concept to plasma chemistry is considered. A general formula which expresses the G value for a general reaction in terms of experimentally controllable parameters is derived by applying simple gas-dynamic theory to a plasma reactor with straight walls. The formula expresses the G value as a function of the electrical power absorbed, the fraction of molecules transformed, and the flow rate of the gas entering the reactor. The formula was applied to the ammonia plasma radio-frequency discharge data of d'Agostino et al. (1981); the results showed that the G(-NH3) value lies in the range of 6.0-20 molecules/100 eV, depending on the conditions. This similarity of the G(-NH3) value with Peterson's (1974) range 2.7-10 found for the gas-phase radiolysis of ammonia, suggests that there might be a common reaction mechanism initiated by inelastic electron-molecule collisions.

  9. Fire risk, atmospheric chemistry and radiative forcing assessment of wildfires in eastern Mediterranean

    NASA Astrophysics Data System (ADS)

    Athanasopoulou, E.; Rieger, D.; Walter, C.; Vogel, H.; Karali, A.; Hatzaki, M.; Gerasopoulos, E.; Vogel, B.; Giannakopoulos, C.; Gratsea, M.; Roussos, A.

    2014-10-01

    The current research study aims at investigating the atmospheric implications of a major fire event in the Mediterranean area. For this purpose, a regional aerosol model coupled online with meteorology (COSMO-ART) is applied over Greece during late summer 2007. Fire risk model results proved to be adequate in reproducing the highly destructive event, which supports further applications for national meteorological forecasts and early warning systems for fire prevention. Columnar aerosol loading field predictions are consistent with satellite maps, which further allows for the correlation of this wildfire event to the atmospheric chemistry and the radiative forcing. Gaseous chemistry resembles that in urban environments and led to nitrogen dioxide and ozone exceedances in several cities in proximity to and downwind the fire spots, respectively. Influence in Athens is found significant from the Euboean plume (45% of total surface PM10) and small (5%) from the fires in Peloponnese. Fire events are indicated by sharp increases in organic to elemental carbon (6), together with sharp decreases in secondary to total organic components (0.1), in comparison to their values during the pre- and post-fire period over Athens (1 and 0.6, respectively). The change in the radiative budget induced by the fire plume is found negative (3-day-average value up to -10 W m-2). Direct heat input is found negligible, thus the net temperature effect is also negative over land (-0.5 K). Nevertheless, positive temperature changes are found overseas (hourly value up to +2 K), due to the amplified radiation absorption by aged soot, coupled to the intense stabilization of the atmosphere above the sea surface.

  10. Chemistry Teachers' Knowledge and Application of Models

    ERIC Educational Resources Information Center

    Wang, Zuhao; Chi, Shaohui; Hu, Kaiyan; Chen, Wenting

    2014-01-01

    Teachers' knowledge and application of model play an important role in students' development of modeling ability and scientific literacy. In this study, we investigated Chinese chemistry teachers' knowledge and application of models. Data were collected through test questionnaire and analyzed quantitatively and qualitatively. The…

  11. Calibration services for medical applications of radiation

    SciTech Connect

    DeWerd, L.A.

    1993-12-31

    Calibration services for the medical community applications of radiation involve measuring radiation precisely and having traceability to the National Institute of Standards and Technology (NIST). Radiation therapy applications involve the use of ionization chambers and electrometers for external beams and well-type ionization chamber systems as well as radioactive sources for brachytherapy. Diagnostic x-ray applications involve ionization chamber systems and devices to measure other parameters of the x-ray machine, such as non-invasive kVp meters. Calibration laboratories have been established to provide radiation calibration services while maintaining traceability to NIST. New radiation applications of the medical community spur investigation to provide the future calibration needs.

  12. Integrated Methods: Applications in Quantum Chemistry

    SciTech Connect

    Irle, Stephen; Morokuma, Keiji

    2004-03-31

    Authors introduce quantum chemical methods applicable to extended molecular systems or parts of them, describe in short the theory behind integrated methods, and discuss their applications to the most recognizable areas of nanochemistry (fullerenes, nanotubes, and silica- based nanosystems).

  13. Development and application of bond cleavage reactions in bioorthogonal chemistry.

    PubMed

    Li, Jie; Chen, Peng R

    2016-03-01

    Bioorthogonal chemical reactions are a thriving area of chemical research in recent years as an unprecedented technique to dissect native biological processes through chemistry-enabled strategies. However, current concepts of bioorthogonal chemistry have largely centered on 'bond formation' reactions between two mutually reactive bioorthogonal handles. Recently, in a reverse strategy, a collection of 'bond cleavage' reactions has emerged with excellent biocompatibility. These reactions have expanded our bioorthogonal chemistry repertoire, enabling an array of exciting new biological applications that range from the chemically controlled spatial and temporal activation of intracellular proteins and small-molecule drugs to the direct manipulation of intact cells under physiological conditions. Here we highlight the development and applications of these bioorthogonal cleavage reactions. Furthermore, we lay out challenges and propose future directions along this appealing avenue of research.

  14. Scalable Computational Chemistry: New Developments and Applications

    SciTech Connect

    Yuri Alexeev

    2002-12-31

    The computational part of the thesis is the investigation of titanium chloride (II) as a potential catalyst for the bis-silylation reaction of ethylene with hexaclorodisilane at different levels of theory. Bis-silylation is an important reaction for producing bis(silyl) compounds and new C-Si bonds, which can serve as monomers for silicon containing polymers and silicon carbides. Ab initio calculations on the steps involved in a proposed mechanism are presented. This choice of reactants allows them to study this reaction at reliable levels of theory without compromising accuracy. The calculations indicate that this is a highly exothermic barrierless reaction. The TiCl{sub 2} catalyst removes a 50 kcal/mol activation energy barrier required for the reaction without the catalyst. The first step is interaction of TiCl{sub 2} with ethylene to form an intermediate that is 60 kcal/mol below the energy of the reactants. This is the driving force for the entire reaction. Dynamic correlation plays a significant role because RHF calculations indicate that the net barrier for the catalyzed reaction is 50 kcal/mol. They conclude that divalent Ti has the potential to become an important industrial catalyst for silylation reactions. In the programming part of the thesis, parallelization of different quantum chemistry methods is presented. The parallelization of code is becoming important aspects of quantum chemistry code development. Two trends contribute to it: the overall desire to study large chemical systems and the desire to employ highly correlated methods which are usually computationally and memory expensive. In the presented distributed data algorithms computation is parallelized and the largest arrays are evenly distributed among CPUs. First, the parallelization of the Hartree-Fock self-consistent field (SCF) method is considered. SCF method is the most common starting point for more accurate calculations. The Fock build (sub step of SCF) from AO integrals is also

  15. Applications of Fluorine in Medicinal Chemistry.

    PubMed

    Gillis, Eric P; Eastman, Kyle J; Hill, Matthew D; Donnelly, David J; Meanwell, Nicholas A

    2015-11-12

    The role of fluorine in drug design and development is expanding rapidly as we learn more about the unique properties associated with this unusual element and how to deploy it with greater sophistication. The judicious introduction of fluorine into a molecule can productively influence conformation, pKa, intrinsic potency, membrane permeability, metabolic pathways, and pharmacokinetic properties. In addition, (18)F has been established as a useful positron emitting isotope for use with in vivo imaging technology that potentially has extensive application in drug discovery and development, often limited only by convenient synthetic accessibility to labeled compounds. The wide ranging applications of fluorine in drug design are providing a strong stimulus for the development of new synthetic methodologies that allow more facile access to a wide range of fluorinated compounds. In this review, we provide an update on the effects of the strategic incorporation of fluorine in drug molecules and applications in positron emission tomography.

  16. Quantum kernel applications in medicinal chemistry.

    PubMed

    Huang, Lulu; Massa, Lou

    2012-07-01

    Progress in the quantum mechanics of biological molecules is being driven by computational advances. The notion of quantum kernels can be introduced to simplify the formalism of quantum mechanics, making it especially suitable for parallel computation of very large biological molecules. The essential idea is to mathematically break large biological molecules into smaller kernels that are calculationally tractable, and then to represent the full molecule by a summation over the kernels. The accuracy of the kernel energy method (KEM) is shown by systematic application to a great variety of molecular types found in biology. These include peptides, proteins, DNA and RNA. Examples are given that explore the KEM across a variety of chemical models, and to the outer limits of energy accuracy and molecular size. KEM represents an advance in quantum biology applicable to problems in medicine and drug design. PMID:22857535

  17. Step-by-Step Simulation of Radiation Chemistry Using Green Functions for Diffusion-Influenced Reactions

    NASA Technical Reports Server (NTRS)

    Plante, Ianik; Cucinotta, Francis A.

    2011-01-01

    Radiolytic species are formed approximately 1 ps after the passage of ionizing radiation through matter. After their formation, they diffuse and chemically react with other radiolytic species and neighboring biological molecules, leading to various oxidative damage. Therefore, the simulation of radiation chemistry is of considerable importance to understand how radiolytic species damage biological molecules [1]. The step-by-step simulation of chemical reactions is difficult, because the radiolytic species are distributed non-homogeneously in the medium. Consequently, computational approaches based on Green functions for diffusion-influenced reactions should be used [2]. Recently, Green functions for more complex type of reactions have been published [3-4]. We have developed exact random variate generators of these Green functions [5], which will allow us to use them in radiation chemistry codes. Moreover, simulating chemistry using the Green functions is which is computationally very demanding, because the probabilities of reactions between each pair of particles should be evaluated at each timestep [2]. This kind of problem is well adapted for General Purpose Graphic Processing Units (GPGPU), which can handle a large number of similar calculations simultaneously. These new developments will allow us to include more complex reactions in chemistry codes, and to improve the calculation time. This code should be of importance to link radiation track structure simulations and DNA damage models.

  18. Photoreconfigurable polymers for biomedical applications: chemistry and macromolecular engineering.

    PubMed

    Zhu, Congcong; Ninh, Chi; Bettinger, Christopher J

    2014-10-13

    Stimuli-responsive polymers play an important role in many biomedical technologies. Light responsive polymers are particularly desirable because the parameters of irradiated light and diverse photoactive chemistries produce a large number of combinations between functional materials and associated stimuli. This Review summarizes recent advances in utilizing photoactive chemistries in macromolecules for prospective use in biomedical applications. Special focus is granted to selection criterion when choosing photofunctional groups. Synthetic strategies to incorporate these functionalities into polymers and networks with different topologies are also highlighted herein. Prospective applications of these materials are discussed including programmable matrices for controlled release, dynamic scaffolds for tissue engineering, and functional coatings for medical devices. The article concludes by summarizing the state of the art in photoresponsive polymers for biomedical applications including current challenges and future opportunities.

  19. Cephalopod Ink: Production, Chemistry, Functions and Applications

    PubMed Central

    Derby, Charles D.

    2014-01-01

    One of the most distinctive and defining features of coleoid cephalopods—squid, cuttlefish and octopus—is their inking behavior. Their ink, which is blackened by melanin, but also contains other constituents, has been used by humans in various ways for millennia. This review summarizes our current knowledge of cephalopod ink. Topics include: (1) the production of ink, including the functional organization of the ink sac and funnel organ that produce it; (2) the chemical components of ink, with a focus on the best known of these—melanin and the biochemical pathways involved in its production; (3) the neuroecology of the use of ink in predator-prey interactions by cephalopods in their natural environment; and (4) the use of cephalopod ink by humans, including in the development of drugs for biomedical applications and other chemicals for industrial and other commercial applications. As is hopefully evident from this review, much is known about cephalopod ink and inking, yet more striking is how little we know. Towards closing that gap, future directions in research on cephalopod inking are suggested. PMID:24824020

  20. Therapeutic Applications of Ionizing Radiations

    NASA Astrophysics Data System (ADS)

    Sánchez-Santos, María Elena

    The aim of radiation therapy is to deliver a precisely measured dose of radiation to a defined tumour volume with minimal damage to the surrounding healthy tissue, resulting in the eradication of the tumour, a higher quality of life with palliation of symptoms of the disease, and the prolongation of survival at competitive cost. Together with surgery and pharmacology, radiotherapy is presently one of the most important therapeutical weapons against cancer. This chapter provides an overview of the clinical use of radiation, with emphasis on the optimisation of treatment planning and delivery, and a top level summary of state-of-the-art techniques in radiation therapy.

  1. Synchrotron radiation applications in medical research

    SciTech Connect

    Thomlinson, W.

    1997-08-01

    Over the past two decades there has been a phenomenal growth in the number of dedicated synchrotron radiation facilities and a corresponding growth in the number of applications in both basic and applied sciences. The high flux and brightness, tunable beams, time structure and polarization of synchrotron radiation provide an ideal x- ray source for many applications in the medical sciences. There is a dual aspect to the field of medical applications of synchrotron radiation. First there are the important in-vitro programs such as structural biology, x-ray microscopy, and radiation cell biology. Second there are the programs that are ultimately targeted at in-vivo applications. The present status of synchrotron coronary angiography, bronchography, multiple energy computed tomography, mammography and radiation therapy programs at laboratories around the world is reviewed.

  2. Miniature spectroscopic instrumentation: Applications to biology and chemistry

    NASA Astrophysics Data System (ADS)

    Bacon, Christina P.; Mattley, Yvette; DeFrece, Ronald

    2004-01-01

    Spectroscopy is a fundamental analytical tool utilized throughout all of the sciences. For chemistry and biology alone, there are thousands of applications. In the past two decades there have been monumental advances in the miniaturization of components used in spectrophotometric systems. The key components include detector arrays, laser diodes, and fiber optics. Currently, there are numerous commercially available miniature spectrometer systems as well as discrete components that are used by researchers in designing their own systems. A comprehensive summary of current instrumentation available for the design and development of miniaturized spectroscopy applications is described, including detectors, wavelength discriminating components, light sources, and sampling assemblies. Recommendations are made for designing spectrometer systems for specific applications. Current literature is reviewed for chemical and biological applications specifically using miniaturized spectrometer systems with the focus being on ultraviolet-visible-near-infrared spectrometers. The applications include laboratory applications, environmental sensing, on-site industrial analyses, botany and ecology applications, and finally clinical and biochemical studies. Additionally, microspectrometers, two-dimensional arrays, and photonics crystals are discussed in regards to their future role in chemistry and biology applications.

  3. The Chemistry and Applications of π-Gels

    NASA Astrophysics Data System (ADS)

    Ghosh, Samrat; Praveen, Vakayil K.; Ajayaghosh, Ayyappanpillai

    2016-07-01

    π-Gels are a promising class of functional soft materials formed out of short π-conjugated molecules. By utilizing the chemistry of noncovalent interactions, researchers have created a wide range of π-gels that are composed of supramolecular polymers. During the last two decades, supramolecular gel chemistry has been pursued with the hope of developing new materials for applications in, for example, organic electronics, energy harvesting, sensing, and imaging. The high expectations for π-gels were centered mainly around their electronic properties, such as tunable emission, energy transfer, electron transfer, charge transport, and electrical conductivity; such properties are amenable to modulation through size and shape control of molecular assemblies. Although a large number of exciting publications have appeared, a major technological breakthrough is yet to be realized. In this review, we analyze the recent advancements in the area of functional π-gels and their scope in future applications.

  4. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1993-01-01

    The period from Jan. 1993 thru Aug. 1993 is covered. The primary tasks during this period were the development of a single and multi-vibrational temperature preferential vibration-dissociation coupling model, the development of a normal shock nonequilibrium radiation-gasdynamic coupling model based upon the blunt body model, and the comparison of results obtained with these models with experimental data. In addition, an extensive series of computations were conducted using the blunt body model to develop a set of reference results covering a wide range of vehicle sizes, altitudes, and entry velocities.

  5. Some applications of thermodynamics in crystal chemistry

    NASA Astrophysics Data System (ADS)

    Herbstein, Frank H.

    1996-01-01

    The integrated study of polymorphic phase changes in crystals by combining thermodynamic and crystallographic data is illustrated for four one-component systems — tin, carbon, adamantane and fullerene C 60 Ih — of increasing complexity. A brief review of the basic thermodynamics of the solid state (laws of thermodynamics, polymorphism, order of transitions) reminds the reader that enthalpy ( H) and entropy ( S) are experimental quantities derivable from the values of the heat capacity at constant pressure ( CP) measured as a function of temperature ( T). Combination of H and S through the Gibbs function gives the free energy as a function of T ( G = H - TS). For a one-component crystal with two polymorphic forms, the separate roles of the enthalpy and entropy differences between the polymorphs can be distinguished. This is illustrated in quantitative fashion for the two polymorphs of tin at atmospheric pressure, where there is a first-order phase transformation from grey (diamond) to white (metallic) at 286 K. Application of the Clausius-Clapeyron equation ( {dP }/{dT } = {ΔS}/{ΔV}) shows that metallic tin is the stable phase above ≈ 5 kbar at 0 K. This is entirely analogous to the treatment of the pressure dependence of the melting point of ice. In the next stage, pressure is added as a variable in order to treat the graphite-diamond polymorphism of carbon. Adamantane, for which calorimetric, phase-diagram and crystallographic data are available over a considerable range of temperature and pressure, is next reviewed in detail. The polymorphic change from tetragonal (stable below 208.6 K at atmospheric pressure) to cubic is almost, but not quite, first-order in character. A somewhat similar analysis is applied to available calorimetric and crystallographic data for fullerene C60 Ih, where the transition shows appreciable deviations from ideal first-order character. The next stage, not considered here, would be to proceed from the methods of

  6. Application of Multidimensional Spectrum Analysis for Analytical Chemistry

    SciTech Connect

    Hatsukawa, Yuichi; Hayakawa, Takehito; Toh, Yosuke; Shinohara, Nobuo; Oshima, Masumi

    1999-12-31

    Feasibility of application of the multidimensional {gamma} ray spectroscopy for analytical chemistry was examined. Two reference igneous rock (JP-1, JB-1a) samples issued by the Geological Survey of Japan (GSJ) were irradiated at a research reactor with thermal neutrons, and {gamma} rays from the radioisotopes produced by neutron capture reactions were measured using a {gamma}-ray detector array. Simultaneously 27 elements were observed with no chemical separation.

  7. Applications of radiation belt research

    NASA Astrophysics Data System (ADS)

    Lanzerotti, Louis J.

    2011-10-01

    When Arthur Clark and John Pierce proposed geosynchronous and low-Earth-orbiting (GEO and LEO) communications satellites, respectively, they did not envision that the environment in which their concepts would fly would be anything but benign. Discovery of the Van Allen radiation belts in 1958 fundamentally altered understanding of Earth's near-space environment and its impacts on technologies. Indeed, the first commercial telecommunications satellite, Telstar 1, in LEO, failed some 6 months after launch (10 July 1962) due to trapped radiation that had been enhanced from the Starfish Prime high-altitude nuclear test on the day prior to launch. Today radiation trapped in the geomagnetic field, as well as solar energetic particles that can access the magnetosphere, forms critical constraints on the design and operations of satellite systems. These considerations were important factors in the planning of the AGU Chapman Conference on radiation belts that was hosted in July 2011 by the Memorial University of Newfoundland in St. John's, Canada (see "Chapman Conference on Radiation Belts and the Inner Magnetosphere," page 4). The conference presentations, discussions, and hallway conversations illuminated current understanding of Earth's radiation belts and critical issues remaining. Certainly, fundamental understanding of radiation belt origins remains elusive. The relative roles of adiabatic processes, geomagnetic storm injections, and wave heating, among other considerations, are central topics of intense debate and of competing modeling regimes by numerous active groups.

  8. Applications of Inorganic Chemistry in Biology: An Interdisciplinary Graduate Course

    NASA Astrophysics Data System (ADS)

    Farrell, Nicholas; Ross, Paul; Roat, Rosette M.

    1998-06-01

    Inorganic chemistry faculty at Virginia Commonwealth University (VCU) are offering an advanced, interdisciplinary, graduate course entitled "Applications of Inorganic Chemistry in Biology". The course utilizes examples from bioinorganic chemistry to introduce advanced topics in synthesis, structural analysis, and analytical methods that are practiced by inorganic chemists. Emphasis is placed on the structure and function of trace and ultratrace transition metals in biological systems and on the use of metals for medicinal purposes. Instrumental techniques such as electron paramagnetic resonance, Mössbauer spectroscopy, and X-ray crystallography are explained in the detail necessary to familiarize students with their use for analysis of bioinorganic systems and their models. Students have take-home examinations during the term and write a term paper describing a metalloprotein whose X-ray structure data is listed in Brookhaven protein data base. The paper follows the same course pattern of classroom discussion of a bioinorganic system, concentrating on the coordination geometry and nearest neighbor contacts of the metal-binding site in the protein, substrate binding site, and relevance to the metalloprotein or enzyme function, mechanism of action of the enzyme or protein, spectroscopic studies on the metal-binding site, and model studies for the protein's metal-binding site. The instructors conclude that their basic goals for the course - introduction to advanced inorganic chemistry topics using bioinorganic examples with emphasis on primary literature sources and computer-assisted displays - are being accomplished.

  9. Radiation chemistry of salt-mine brines and hydrates. [Gamma radiation

    SciTech Connect

    Jenks, G.H.; Walton, J.R.; Bronstein, H.R.; Baes, C.F. Jr.

    1981-07-01

    Certain aspects of the radiation chemistry of NaCl-saturated MgCl/sub 2/ solutions and MgCl/sub 2/ hydrates at temperatures in the range of 30 to 180/sup 0/C were investigated through experiments. A principal objective was to establish the values for the yields of H/sub 2/ (G(H/sub 2/)) and accompanying oxidants in the gamma-ray radiolysis of concentrated brines that might occur in waste repositories in salt. We concluded that G(H/sub 2/) from gamma-irradiated brine solution into a simultaneously irradiated, deaerated atmosphere above the solution is between 0.48 and 0.49 over most of the range 30 to 143/sup 0/C. The yield is probably somewhat lower at the lower end of this range, averaging 0.44 at 30 to 45/sup 0/C. Changes in the relative amounts of MgCl/sub 2/ and NaCl in the NaCl-saturated solutions have negligible effects on the yield. The yield of O/sub 2/ into the same atmosphere averages 0.13, independent of the temperature and brine composition, showing that only about 50% of the radiolytic oxidant that was formed along with the H/sub 2/ was present as O/sub 2/. We did not identify the species that compose the remainder of the oxidant. We concluded that the yield of H/sub 2/ from a gamma-irradiated brine solution into a simultaneously irradiated atmosphere containing 5 to 8% air in He may be greater than the yield in deaerated systems by amounts ranging from 0% for temperatures of 73 to 85/sup 0/C, to about 30 and 40% for temperatures in the ranges 100 to 143/sup 0/C and 30 to 45/sup 0/C, respectively. We did not establish the mechanism whereby the air affected the yields of H/sub 2/ and O/sub 2/. The values found in this work for G(H/sub 2/) in deaerated systems are in approximate agreement with the value of 0.44 for the gamma-irradiation yield of H/sub 2/ in pure H/sub 2/O at room temperature. They are also in agreement with the values predicted by extrapolation from the findings of previous researchers for the value for G(H/sub 2/) in 2 M NaCl solutions

  10. Astrobiological Aspects of Radiation Chemistry in Europa's Icy Regolith

    NASA Astrophysics Data System (ADS)

    Carlson, R. W.; Hand, K. P.

    2006-05-01

    Jupiter's moon Europa, with its likely subsurface ocean and young, active surface, is a promising habitat for life. Europa orbits in the heart of Jupiter's powerful magnetosphere and suffers intense energetic particle bombardment, producing both positive and negative aspects for astrobiology at Europa. Ionizing radiation can produce oxidants that could support a radiation-driven ecology as proposed by Chyba. On the other hand, biomolecular evidence for life that may be upwelled to the surface is rapidly altered by irradiation, complicating astrobiological searches for evidence of life. We present an overview of laboratory work performed at JPL and elsewhere and observational results related to these two aspects. The oxidants hydrogen peroxide and molecular oxygen are known to exist on Europa and the radiolytic production of these species has been studied in the laboratory for both electron and ion irradiation. Laboratory- measured equilibrium concentrations of H2O2, where production and destruction rates are equal, are in general agreement with the observed 0.1% molar abundance on Europa. The shape of Europa's peroxide band is consistent with the line shapes observed in radiolysis and with H2O2 dispersed in water ice rather than occurring as H2O2 aggregates. Surprisingly, molecular oxygen may be even more abundant on Europa even though O2 is extremely volatile ande would be expected to escape from the ice surface. Radiolysis can produce molecular oxygen and appears to simultaneously alter the ice matrix, trapping the O2. Other species observed on Europa are CO2 and SO2, and laboratory radiolysis of these species in H2O ice produces carbonic and sulfuric acid, respectively. We are studying the radiolytic degradation of biomarkers in ice at Europa temperatures by studying both simple organics and more complex biomolecules, including microorganisms. Hydrocarbon radiolysis yields carbon dioxide and methane, which can escape the system and results in loss of carbon. In

  11. Medical Applications of Synchrotron Radiation

    NASA Astrophysics Data System (ADS)

    Prezado, Yolanda; Martínez-Rovira, Immaculada

    This chapter describes the state-of-art of synchrotron radiation therapies in the treatment of radioresistant tumors. The tolerance of the surrounding healthy tissue severely limits the achievement of a curative treatment for some brain tumors, like gliomas. This restriction is especially important in children, due to the high risk of complications in the development of the central nervous system. In addition, the treatment of tumors close to an organ at risk, like the spinal cord, is also restrained. One possible solution is the development of new radiotherapy techniques would exploit radically different irradiation modes, as it is the case of synchrotron radiotherapies. Their distinct features allow to modify the biological equivalent doses. In this chapter the three new approaches under development at the European Synchrotron Radiation Facility (ESRF), in Grenoble (France), will be described, namely: stereotactic synchrotron radiation therapy, microbeam radiation therapy and minibeam radiation therapy. The promising results obtained in the treatment of high grade brain tumors in preclinical studies have paved the way to the forthcoming clinical trials, currently in preparation.

  12. Measurement and Applications of Radiation Pressure

    NASA Astrophysics Data System (ADS)

    Ma, Dakang; Garrett, Joseph; Murray, Joseph; Munday, Jeremy; Munday Lab Team

    Light reflected off a material or absorbed within it exerts radiation pressure through the transfer of momentum. Measuring and utilizing radiation pressure have aroused growing interest in a wide spectrum of research fields. Micromechanical transducers and oscillators are good candidates for measuring radiation pressure, but accompanying photothermal effects often obscure the measurement. In this work, we investigate the accurate measurement of the radiation force on microcantilevers in ambient conditions and ways to separate radiation pressure and photothermal effects. Further, we investigate an optically broadband switchable device based on polymer dispersed liquid crystal which has potential applications in solar sails and maneuvering spacecraft without moving parts. The authors would like to thank NASA Early Career Faculty Award and NASA Smallsat Technology Partnership Award for their funding support.

  13. Recent Advances in Glycerol Polymers: Chemistry and Biomedical Applications

    PubMed Central

    Zhang, Heng

    2015-01-01

    Glycerol polymers are attracting increased attention due to the diversity of polymer compositions and architectures available. This article provides a brief chronological review on the current status of these polymers along with representative examples of their use for biomedical applications. First, we describe the underlying chemistry of glycerol, which provides access to a range of monomers for subsequent polymerizations. We then review the various synthetic methodologies to prepare glycerol-based polymers including polyethers, polycarbonates, polyesters, and so forth. Next, we describe several biomedical applications where glycerol polymers are being investigated including carriers for drug delivery, sealants or coatings for tissue repair, and agents possessing antibacterial activity. Fourth, we describe the growing market opportunity for the use of polymers in medicine. Finally we conclude and summarize the findings, as well as discuss potential opportunities for continued research efforts. PMID:25308354

  14. Recent advances in glycerol polymers: chemistry and biomedical applications.

    PubMed

    Zhang, Heng; Grinstaff, Mark W

    2014-11-01

    Glycerol polymers are attracting increased attention due to the diversity of polymer compositions and architectures available. This article provides a brief chronological review on the current status of these polymers along with representative examples of their use for biomedical applications. First, the underlying chemistry of glycerol that provides access to a range of monomers for subsequent polymerizations is described. Then, the various synthetic methodologies to prepare glycerol-based polymers including polyethers, polycarbonates, polyesters, and so forth are reviewed. Next, several biomedical applications where glycerol polymers are being investigated including carriers for drug delivery, sealants or coatings for tissue repair, and agents possessing antibacterial activity are described. Fourth, the growing market opportunity for the use of polymers in medicine is described. Finally, the findings are concluded and summarized, as well as the potential opportunities for continued research efforts are discussed.

  15. Applications of Optical Microcavity Resonators in Analytical Chemistry

    NASA Astrophysics Data System (ADS)

    Wade, James H.; Bailey, Ryan C.

    2016-06-01

    Optical resonator sensors are an emerging class of analytical technologies that use recirculating light confined within a microcavity to sensitively measure the surrounding environment. Bolstered by advances in microfabrication, these devices can be configured for a wide variety of chemical or biomolecular sensing applications. We begin with a brief description of optical resonator sensor operation, followed by discussions regarding sensor design, including different geometries, choices of material systems, methods of sensor interrogation, and new approaches to sensor operation. Throughout, key developments are highlighted, including advancements in biosensing and other applications of optical sensors. We discuss the potential of alternative sensing mechanisms and hybrid sensing devices for more sensitive and rapid analyses. We conclude with our perspective on the future of optical microcavity sensors and their promise as versatile detection elements within analytical chemistry.

  16. Detecting Secondary Bottlenecks in Parallel Quantum Chemistry Applications Using MPI

    NASA Astrophysics Data System (ADS)

    Mahajan, Reema; Kranzlmüller, Dieter; Volkert, Jens; Hansmann, Ulrich H. E.; Höfinger, Siegfried

    Profiling tools such as gprof and ssrun are used to analyze the run-time performance of a scientific application. The profiling is done in serial and in parallel mode using MPI as the communication interface. The application is a quantum chemistry program using Hartree Fock theory and Pulays DIIS method. An extensive set of test cases is taken into account in order to reach uniform conclusions. A known problem with decreased parallel scalability can thus be narrowed down to a single subroutine responsible for the reduction in Speed Up. The critical module is analyzed and a typical pitfall with triple matrix multiplications is identified. After overhauling the critical subroutine re-examination of the run-time behavior shows significantly improved performance and markedly improved parallel scalability. The lessons learned here might be of interest to other people working in similar fields with similar problems.

  17. Applications of Optical Microcavity Resonators in Analytical Chemistry.

    PubMed

    Wade, James H; Bailey, Ryan C

    2016-06-12

    Optical resonator sensors are an emerging class of analytical technologies that use recirculating light confined within a microcavity to sensitively measure the surrounding environment. Bolstered by advances in microfabrication, these devices can be configured for a wide variety of chemical or biomolecular sensing applications. We begin with a brief description of optical resonator sensor operation, followed by discussions regarding sensor design, including different geometries, choices of material systems, methods of sensor interrogation, and new approaches to sensor operation. Throughout, key developments are highlighted, including advancements in biosensing and other applications of optical sensors. We discuss the potential of alternative sensing mechanisms and hybrid sensing devices for more sensitive and rapid analyses. We conclude with our perspective on the future of optical microcavity sensors and their promise as versatile detection elements within analytical chemistry.

  18. CHEMISTRY OF A PROTOPLANETARY DISK WITH GRAIN SETTLING AND Ly{alpha} RADIATION

    SciTech Connect

    Fogel, Jeffrey K. J.; Bethell, Thomas J.; Bergin, Edwin A.; Calvet, Nuria; Semenov, Dmitry E-mail: tbethell@umich.edu E-mail: ncalvet@umich.edu

    2011-01-01

    We present results from a model of the chemical evolution of protoplanetary disks. In our models, we directly calculate the changing propagation and penetration of a high energy radiation field with Ly{alpha} radiation included. We also explore the effect on our models of including dust grain settling. We find that, in agreement with earlier studies, the evolution of dust grains plays a large role in determining how deep the UV radiation penetrates into the disk. Significant grain settling at the midplane leads to much smaller freeze-out regions and a correspondingly larger molecular layer, which leads to an increase in column density for molecular species such as CO, CN, and SO. The inclusion of Ly{alpha} radiation impacts the disk chemistry through specific species that have large photodissociation cross sections at 1216 A. These include HCN, NH{sub 3}, and CH{sub 4}, for which the column densities are decreased by an order of magnitude or more due to the presence of Ly{alpha} radiation in the UV spectrum. A few species, such as CO{sub 2} and SO, are enhanced by the presence of Ly{alpha} radiation, but rarely by more than a factor of a few.

  19. Radiation chemistry of amino acids, peptides and proteins in relation to the radiation sterilization of high-protein foods

    SciTech Connect

    Garrison, W. M.

    1981-12-01

    An important source of information on the question of whether or not toxic or other deleterious substances are formed in the radiation sterilization of foods is the chemical study of reaction products and reaction mechanisms in the radiolysis of individual food components. The present evaluation of the radiation chemistry of amino acids, peptides, and proteins outlines the various radiation-induced processes which lead to amino acid degradation and to the synthesis of amino acid derivatives of higher molecular weight. Among the latter are the ..cap alpha..,..cap alpha..'-diamino dicarboxylic acids which are formed as major products in the radiolysis of peptides both in aqueous solution and in the solid state. The ..cap alpha..,..cap alpha..'-diamino acids are of particular interest as irradiation products because they represent a class of compounds not normally encountered in plant and animal protein sources. Such compounds have, however, been isolated from certain types of bacteria and bacterial products. All of the available data strongly suggest that the ..cap alpha..,..cap alpha..'-diamino acids are produced in significant yield in the radiation sterilization of high protein foods. The importance of initiating extensive chemical and biological studies of these and of other high molecular weight products in irradiated food is emphasized.

  20. 10 years of click chemistry: synthesis and applications of ferrocene-derived triazoles.

    PubMed

    Ganesh, Venkataraman; Sudhir, V Sai; Kundu, Taraknath; Chandrasekaran, Srinivasan

    2011-10-01

    Click chemistry has played a significant role as a rapid and versatile strategy for conjugating two molecular fragments under very mild reaction conditions. Introduction of ferrocene-derived triazole systems using click chemistry has attracted enormous interest in various fields due to its potential applications in electrochemical techniques for detection and sensing. The present discussion focuses on the synthesis of ferrocene-triazole and the importance of using a CuAAC reaction for such conjugation. Applications of ferrocene-based click reactions in conjugate chemistry, asymmetric catalysis, medicinal chemistry, host-guest interactions, and materials chemistry have been highlighted.

  1. The Effect of Web-Based Project Applications on Students' Attitudes towards Chemistry

    ERIC Educational Resources Information Center

    Morgil, Inci; Gungor Seyhan, Hatice; Ural Alsan, Evrim; Temel, Senar

    2008-01-01

    Students perform intensive web-based applications during their education. One of these is project-based application. In this study, the effect of web based project applications on students' attitudes towards chemistry has been investigated. 42 students attending Hacettepe University, Faculty of Education, and Department of Chemistry Education have…

  2. Synthesis of Glycine and Other Prebiotic Compounds in the Interstellar Medium - An Example of Radiation Chemistry.

    NASA Astrophysics Data System (ADS)

    Mason, N. J.; Sivaraman, B.; Jeetha, S.; Dawes, A.; Hunniford, A.; McCullough, R. W.

    2007-08-01

    To understand how life can begin on a habitable planet such as the Earth, it is essential to know what organic compounds were likely to have been available, and how they interacted with the planetary environment. Therefore an understanding of the mechanisms by which organic chemical compounds are formed (so called /prebiotic chemistry/) is essential. Recent data from space based telescopes are revealing the interstellar medium as a rich 'chemical factory' in which many hydrocarbon speices are present (e.g. formic and acetic acid, alcohols and esters). Whether larger more complex species such as amino acids can form remains unknown since they can not, at present, be detected. However laboratory experiments that recreate the conditions of the ISM and the conditions under which stars and planets evolve have recently shown that such 'prebiotic compounds' may be formed through radiation induced chemistry. Details of these experiments will be discussed with the example of glycine formation used as an exemplar for such molecular synthesis.

  3. Radiation Detection for Homeland Security Applications

    NASA Astrophysics Data System (ADS)

    Ely, James

    2008-05-01

    In the past twenty years or so, there have been significant changes in the strategy and applications for homeland security. Recently there have been significant at deterring and interdicting terrorists and associated organizations. This is a shift in the normal paradigm of deterrence and surveillance of a nation and the `conventional' methods of warfare to the `unconventional' means that terrorist organizations resort to. With that shift comes the responsibility to monitor international borders for weapons of mass destruction, including radiological weapons. As a result, countries around the world are deploying radiation detection instrumentation to interdict the illegal shipment of radioactive material crossing international borders. These efforts include deployments at land, rail, air, and sea ports of entry in the US and in European and Asian countries. Radioactive signatures of concern include radiation dispersal devices (RDD), nuclear warheads, and special nuclear material (SNM). Radiation portal monitors (RPMs) are used as the main screening tool for vehicles and cargo at borders, supplemented by handheld detectors, personal radiation detectors, and x-ray imaging systems. This talk will present an overview of radiation detection equipment with emphasis on radiation portal monitors. In the US, the deployment of radiation detection equipment is being coordinated by the Domestic Nuclear Detection Office within the Department of Homeland Security, and a brief summary of the program will be covered. Challenges with current generation systems will be discussed as well as areas of investigation and opportunities for improvements. The next generation of radiation portal monitors is being produced under the Advanced Spectroscopic Portal program and will be available for deployment in the near future. Additional technologies, from commercially available to experimental, that provide additional information for radiation screening, such as density imaging equipment, will

  4. Molecular Chemistry of Organic Aerosols Through the Application of High Resolution Mass Spectrometry

    SciTech Connect

    Nizkorodov, Serguei; Laskin, Julia; Laskin, Alexander

    2011-01-05

    Understanding of molecular composition and fundamental chemical transformations of organic aerosols (OA) during their formation and aging is both a major challenge and the area of greatest uncertainty in atmospheric research. Particularly little is known about fundamental relationship between the chemical composition and physicochemical properties of OA, their atmospheric history, evolution, and impact on the environment. Ambient soft-ionization methods combined with high-resolution mass spectrometry (HR-MS) analysis provide detailed information on the molecular content of OA that is pivotal for improved understanding of their complex composition, multi-phase aging chemistry, direct (light absorption and scattering) and indirect (aerosol-cloud interactions) effects on atmospheric radiation and climate, and health effects. The HR-MS methods can detect thousands of individual OA constituents at once, provide their elemental formulae from accurate mass measurements, and provide structural information based on tandem mass spectrometry. Integration with additional analytical tools, such as chromatography and UV/Vis absorption spectroscopy, makes it possible to further separate OA compounds by their polarity and ability to absorb solar radiation. The goal of this perspective is to describe modern HR-MS methods, review recent applications to field and laboratory studies of OA, and explain how the information obtained from HR-MS methods can be translated into improved understanding of OA chemistry.

  5. Chemical Kinetics and Properties from the Radiation Chemistry Data Center (RCDC)

    DOE Data Explorer

    The Radiation Chemistry Data Center (RCDC) is a focal point for the compilation and evaluation of kinetic, spectroscopic and thermodynamic data for processes in solution involving reactive intermediates, including free radicals and excited states. These data are primarily derived from the published literature on radiation chemistry and quantitative aspects of photochemistry. The compilations are presented as individual groups of pages corresponding to each published work. Each compilation consists of an introductory article, describing the scope of the compilation, with the considerations and criteria for data evaluation discussed. Nomenclature for the compilation is also described here. For several compilations the introduction is followed by one or more pages of links organized as an index or table of contents to the individual pages of the compilation. These links allow the browsing of the data by species name. Each page tabulates the reaction of a transient species with a particular reactant. RCDC was established at the Notre Dame Radiation Laboratory in 1965, as part of the National Standard Reference Data System.

  6. Emerging applications of radiation-modified carrageenans

    NASA Astrophysics Data System (ADS)

    Abad, Lucille V.; Aranilla, Charito T.; Relleve, Lorna S.; Dela Rosa, Alumanda M.

    2014-10-01

    The Philippines supplies almost half of the world's processed carrageenan as ingredient for different applications. In order to maintain the country's competitive advantage, R&D on radiation processed carrageenan with various potential applications had been undertaken. PVP-carrageenan hydrogels for wound dressing had been developed. A carrageenan-based radiation dose indicator can detect radiation dose of as low as 5 kGy. Irradiated carrageenan has also been tested as plant growth promoter. Irradiated carrageenans have been found have been found to contain some antioxidant properties which increase with increasing dose and concentration. Carboxymethyl carrageenans had also been developed that shows promising effect as super water absorbent for soil conditioner in plants.

  7. Symposium on Radiation Measurements and Applications

    NASA Astrophysics Data System (ADS)

    Wehe, David K.

    2015-06-01

    On June 9-12, 2014, the Symposium on Radiation Measurements and Applications (SORMA XV) took place at the University of Michigan campus. This was the 15th in the long-running series traditionally held every four years in Ann Arbor, and marked its 50th anniversary since inception. Attendance peaked again at nearly 500 conferees, with 135 students in attendance.

  8. Stratospheric Heterogeneous Chemistry and Microphysics: Model Development, Validation and Applications

    NASA Technical Reports Server (NTRS)

    Turco, Richard P.

    1996-01-01

    being systematically evaluated to identify the principal relationships between ozone loss and aerosol state. Under this project, we formulated a detailed quantitative model that predicts the multicomponent composition of sulfate aerosols under stratospheric conditions, including sulfuric, nitric, hydrochloric, hydrofluoric and hydrobromic acids. This work defined for the first time the behavior of liquid ternary-system type-1b PSCS. The model also allows the compositions and reactivities of sulfate aerosols to be calculated over the entire range of environmental conditions encountered in the stratosphere (and has been incorporated into a trajectory/microphysics model-see above). Important conclusions that derived from this work over the last few years include the following: the HNO3 content of liquid-state aerosols dominate PSCs below about 195 K; the freezing of nitric acid ice from sulfate aerosol solutions is likely to occur within a few degrees K of the water vapor frost point; the uptake and reactions of HCl in liquid aerosols is a critical component of PSC heterogeneous chemistry. In a related application of this work, the inefficiency of chlorine injection into the stratosphere during major volcanic eruptions was explained on the basis of nucleation of sulfuric acid aerosols in rising volcanic plumes leading to the formation of supercooled water droplets on these aerosols, which efficiently scavenges HCl via precipitation.

  9. Biomedical applications of radiative decay engineering

    NASA Astrophysics Data System (ADS)

    Lakowicz, Joseph R.; Gryczynski, Ignacy; Malicka, Joanna; Shen, Yibing; Gryczynski, Zygmunt

    2002-06-01

    Fluorescence spectroscopy is a widely used research tool in biochemistry and has also become the dominant method enabling the revolution in medical diagnostics, DNA sequencing and genomics. In this forward-looking article we describe a new opportunity in fluorescence, radiative decay engineering (RDE). By RDE we mean modifying the emission of fluorophores or chromophores by a nearby metallic surface, the most important effect being an increase in the radiative decay rate. We describe the usual effects expected form increase in the radiative rates with reference to the biomedical applications of immunoassay and DNA hybridization. We also present experiments which show that metallic particles can increase the quantum yield of low quantum yield fluorophores, increase fluorophore photostability and increase the distance for resonance energy transfer. And finally we show that proximity to silver particles can increase the intensity of the intrinsic fluorescence from DNA.

  10. Applications of synchrotron radiation to Chemical Engineering Science: Workshop report

    SciTech Connect

    Not Available

    1991-07-01

    This report contains extended abstracts that summarize presentations made at the Workshop on Applications of Synchrotron Radiation to Chemical Engineering Science held at Argonne National Laboratory (ANL), Argonne, IL, on April 22--23, 1991. The talks emphasized the application of techniques involving absorption fluorescence, diffraction, and reflection of synchrotron x-rays, with a focus on problems in applied chemistry and chemical engineering, as well as on the use of x-rays in topographic, tomographic, and lithographic procedures. The attendees at the workshop included experts in the field of synchrotron science, scientists and engineers from ANL, other national laboratories, industry, and universities; and graduate and undergraduate students who were enrolled in ANL educational programs at the time of the workshop. Talks in the Plenary and Overview Session described the status of and special capabilities to be offered by the Advanced Photon Source (APS), as well as strategies and opportunities for utilization of synchrotron radiation to solve science and engineering problems. Invited talks given in subsequent sessions covered the use of intense infrared, ultraviolet, and x-ray photon beams (as provided by synchrotrons) in traditional and nontraditional areas of chemical engineering research related to electrochemical and corrosion science, catalyst development and characterization, lithography and imaging techniques, and microanalysis.

  11. Novel self-healing materials chemistries for targeted applications

    NASA Astrophysics Data System (ADS)

    Wilson, Gerald O.

    Self-healing materials of the type developed by White and co-workers [1] were designed to autonomically heal themselves when damaged, thereby extending the lifetime of various applications in which such material systems are employed. The system was based on urea-formaldehyde microcapsules containing dicyclopentadiene (DCPD) and Grubbs' catalyst particles embedded together in an epoxy matrix. When a crack propagates through the material, it ruptures the microcapsules, releasing DCPD into the crack plane, where it comes in contact and reacts with the catalyst to initiate a ring opening metathesis polymerization (ROMP), bonding the crack and restoring structural continuity. The present work builds on this concept in several ways. Firstly, it expands the scope and versatility of the ROMP self-healing chemistry by incorporation into epoxy vinyl ester matrices. Major technical challenges in this application include protection of the catalyst from deactivation by aggressive curing agents, and optimization of the concentration of healing agents in the matrix. Secondly, new ruthenium catalysts are evaluated for application in ROMP-based self-healing materials. The use of alternative derivatives of Grubbs' catalyst gave rise to self-healing systems with improved healing efficiencies and thermal properties. Evaluation of the stability of these new catalysts to primary amine curing agents used in the curing of common epoxy matrices also led to the discovery and characterization of new ruthenium catalysts which exhibited ROMP initiation kinetics superior to those of first and second generation Grubbs' catalysts. Finally, free radical polymerization was evaluated for application in the development of bio-compatible self-healing materials. [1] White, S. R.; Sottos, N. R.; Geubelle, P. R.; Moore, J. S.; Kessler, M. R.; Sriram, S. R.; Brown, E. N.; Viswanathan, S. Nature 2001, 409, 794.

  12. Applications of polyparameter linear free energy relationships in environmental chemistry.

    PubMed

    Endo, Satoshi; Goss, Kai-Uwe

    2014-11-01

    Partitioning behavior of organic chemicals has tremendous influences on their environmental distribution, reaction rates, bioaccumulation, and toxic effects. Polyparameter linear free energy relationships (PP-LFERs) have been proven to be useful to characterize the equilibrium partitioning of organic chemicals in various environmental and technical partitioning systems and predict the respective partition coefficients. Over the past decade, PP-LFER solute descriptors for numerous environmentally relevant organic chemicals and system parameters for environmentally important partitioning systems have been determined, extending substantially the applicability of the PP-LFER approaches. However, the information needed for the use of PP-LFERs including descriptors and parameters is scattered over a large number of publications. In this work, we review the state of the art of the PP-LFER approaches in environmental chemical applications. The solute descriptors and system parameters reported in the literature and the availability of their database are summarized, and their calibration and prediction methods are overviewed. We also describe tips and pitfalls associated with the use of the PP-LFER approaches and identify research needs to improve further the usefulness of PP-LFERs for environmental chemistry.

  13. Radiation synthesis and fabrication for biomedical applications

    NASA Astrophysics Data System (ADS)

    Kaetsu, Isao

    1995-09-01

    Radiation synthesis and fabrication techniques can make various specific forms and structures of materials enhancedly which are useful for biomedical applications. Those materials are a porous gel and membrane, an interpenetrating networked(IPN) hydrogel, a heterogeneous surface phase membrane, an ultra-thin membrane, a biofunctional laminate and an ultra-fine particle. Radiation techniques can attach various biofunctionalities to those materials effectively by means of immobilization of biofunctional components such as enzymes, proteins, hormones, drugs, microbial cells and tissue cells. It is convenient that the immobilization can be finished at the same time as the synthesis and fabrication in many cases. The applications to bioreactors, biosensors, artificial organs, drug delivery systems and recently to signal responsive chemical delivery systems, have been studied and developed based on those techniques.

  14. Molten salt chemistry: An introduction and selected applications

    SciTech Connect

    Mamantov, G.; Marassi, R.

    1987-01-01

    The major fundamental topics covered are the structure of melts, thermodynamics of molten salt mixtures, theoretical and experimental studies of transport processes, metal-metal salt solutions, solvent properties of melt systems, acid-base effects in molten salt chemistry, electronic absorption, vibrational and nuclear magnetic resonance spectroscopy of melt systems, electrochemistry and electroanalytical chemistry in molten salts, and organic chemistry in molten salts. The applied aspects include the chemistry of aluminium production, electrodeposition using molten salts, and molten salt batteries and fuel cells.

  15. A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation

    NASA Technical Reports Server (NTRS)

    Plante, Ianik; Wu, Honglu

    2014-01-01

    Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the

  16. Stratospheric sulfur and its implications for radiative forcing simulated by the chemistry climate model EMAC

    NASA Astrophysics Data System (ADS)

    Brühl, C.; Lelieveld, J.; Tost, H.; Höpfner, M.; Glatthor, N.

    2015-03-01

    Multiyear simulations with the atmospheric chemistry general circulation model EMAC with a microphysical modal aerosol module at high vertical resolution demonstrate that the sulfur gases COS and SO2, the latter from low-latitude and midlatitude volcanic eruptions, predominantly control the formation of stratospheric aerosol. Marine dimethyl sulfide (DMS) and other SO2 sources, including strong anthropogenic emissions in China, are found to play a minor role except in the lowermost stratosphere. Estimates of volcanic SO2 emissions are based on satellite observations using Total Ozone Mapping Spectrometer and Ozone Monitoring Instrument for total injected mass and Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) on Envisat or Stratospheric Aerosol and Gases Experiment for the spatial distribution. The 10 year SO2 and COS data set of MIPAS is also used for model evaluation. The calculated radiative forcing of stratospheric background aerosol including sulfate from COS and small contributions by DMS oxidation, and organic aerosol from biomass burning, is about 0.07W/m2. For stratospheric sulfate aerosol from medium and small volcanic eruptions between 2005 and 2011 a global radiative forcing up to 0.2W/m2 is calculated, moderating climate warming, while for the major Pinatubo eruption the simulated forcing reaches 5W/m2, leading to temporary climate cooling. The Pinatubo simulation demonstrates the importance of radiative feedback on dynamics, e.g., enhanced tropical upwelling, for large volcanic eruptions.

  17. Stratospheric sulfur and its implications for radiative forcing simulated by the chemistry climate model EMAC

    PubMed Central

    Brühl, C; Lelieveld, J; Tost, H; Höpfner, M; Glatthor, N

    2015-01-01

    Multiyear simulations with the atmospheric chemistry general circulation model EMAC with a microphysical modal aerosol module at high vertical resolution demonstrate that the sulfur gases COS and SO2, the latter from low-latitude and midlatitude volcanic eruptions, predominantly control the formation of stratospheric aerosol. Marine dimethyl sulfide (DMS) and other SO2 sources, including strong anthropogenic emissions in China, are found to play a minor role except in the lowermost stratosphere. Estimates of volcanic SO2 emissions are based on satellite observations using Total Ozone Mapping Spectrometer and Ozone Monitoring Instrument for total injected mass and Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) on Envisat or Stratospheric Aerosol and Gases Experiment for the spatial distribution. The 10 year SO2 and COS data set of MIPAS is also used for model evaluation. The calculated radiative forcing of stratospheric background aerosol including sulfate from COS and small contributions by DMS oxidation, and organic aerosol from biomass burning, is about 0.07W/m2. For stratospheric sulfate aerosol from medium and small volcanic eruptions between 2005 and 2011 a global radiative forcing up to 0.2W/m2 is calculated, moderating climate warming, while for the major Pinatubo eruption the simulated forcing reaches 5W/m2, leading to temporary climate cooling. The Pinatubo simulation demonstrates the importance of radiative feedback on dynamics, e.g., enhanced tropical upwelling, for large volcanic eruptions. PMID:25932352

  18. Intense terahertz radiation and their applications

    NASA Astrophysics Data System (ADS)

    Hafez, H. A.; Chai, X.; Ibrahim, A.; Mondal, S.; Férachou, D.; Ropagnol, X.; Ozaki, T.

    2016-09-01

    In this paper, we will review both past and recent progresses in the generation, detection and application of intense terahertz (THz) radiation. We will restrict the review to laser based intense few-cycle THz sources, and thus will not include sources such as synchrotron-based or narrowband sources. We will first review the various methods used for generating intense THz radiation, including photoconductive antennas (PCAs), optical rectification sources (especially the tilted-pulse-front lithium niobate source and the DAST source, but also those using other crystals), air plasma THz sources and relativistic laser–plasma sources. Next, we will give a brief introduction on the common methods for coherent THz detection techniques (namely the PCA technique and the electro-optic sampling), and point out the limitations of these techniques for measuring intense THz radiation. We will then review three techniques that are highly suited for detecting intense THz radiation, namely the air breakdown coherent detection technique, various single-shot THz detection techniques, and the spectral-domain interferometry technique. Finally, we will give an overview of the various applications that have been made possible with such intense THz sources, including nonlinear THz spectroscopy of condensed matter (optical-pump/THz-probe, THz-pump/THz-probe, THz-pump/optical-probe), nonlinear THz optics, resonant and non-resonant control of material (such as switching of superconductivity, magnetic and polarization switching) and controlling the nonlinear response of metamaterials. We will also provide a short perspective on the future of intense THz sources and their applications.

  19. Intense terahertz radiation and their applications

    NASA Astrophysics Data System (ADS)

    Hafez, H. A.; Chai, X.; Ibrahim, A.; Mondal, S.; Férachou, D.; Ropagnol, X.; Ozaki, T.

    2016-09-01

    In this paper, we will review both past and recent progresses in the generation, detection and application of intense terahertz (THz) radiation. We will restrict the review to laser based intense few-cycle THz sources, and thus will not include sources such as synchrotron-based or narrowband sources. We will first review the various methods used for generating intense THz radiation, including photoconductive antennas (PCAs), optical rectification sources (especially the tilted-pulse-front lithium niobate source and the DAST source, but also those using other crystals), air plasma THz sources and relativistic laser-plasma sources. Next, we will give a brief introduction on the common methods for coherent THz detection techniques (namely the PCA technique and the electro-optic sampling), and point out the limitations of these techniques for measuring intense THz radiation. We will then review three techniques that are highly suited for detecting intense THz radiation, namely the air breakdown coherent detection technique, various single-shot THz detection techniques, and the spectral-domain interferometry technique. Finally, we will give an overview of the various applications that have been made possible with such intense THz sources, including nonlinear THz spectroscopy of condensed matter (optical-pump/THz-probe, THz-pump/THz-probe, THz-pump/optical-probe), nonlinear THz optics, resonant and non-resonant control of material (such as switching of superconductivity, magnetic and polarization switching) and controlling the nonlinear response of metamaterials. We will also provide a short perspective on the future of intense THz sources and their applications.

  20. Nuclear analytical chemistry

    SciTech Connect

    Brune, D.; Forkman, B.; Persson, B.

    1984-01-01

    This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.

  1. Radiation design criteria handbook. [design criteria for electronic parts applications

    NASA Technical Reports Server (NTRS)

    Stanley, A. G.; Martin, K. E.; Douglas, S.

    1976-01-01

    Radiation design criteria for electronic parts applications in space environments are provided. The data were compiled from the Mariner/Jupiter Saturn 1977 electronic parts radiation test program. Radiation sensitive device types were exposed to radiation environments compatible with the MJS'77 requirements under suitable bias conditions. A total of 189 integrated circuits, transistors, and other semiconductor device types were tested.

  2. Can a coupled meteorology–chemistry model reproduce the historical trend in aerosol direct radiative effects over the Northern Hemisphere?

    EPA Science Inventory

    The ability of a coupled meteorology–chemistry model, i.e., Weather Research and Forecast and Community Multiscale Air Quality (WRF-CMAQ), to reproduce the historical trend in aerosol optical depth (AOD) and clear-sky shortwave radiation (SWR) over the Northern Hemisphere h...

  3. Applications of microwave radiation environmental remediation technologies

    SciTech Connect

    Krause, T.R.; Helt, J.E.

    1993-05-01

    A growing number of environmental remediation technologies (e.g., drying, melting, or sintering) utilize microwave radiation as an integral part of the process. An increasing number of novel applications, such as sustaining low-temperature plasmas or enhancing chemical reactivity, are also being developed. An overview of such technologies being developed by the Department of Energy is presented. A specific example being developed at Argonne National Laboratory, microwave-induced plasma reactors for the destruction of volatile organic compounds, is discussed in more detail.

  4. Applications of microwave radiation environmental remediation technologies

    SciTech Connect

    Krause, T.R.; Helt, J.E.

    1993-01-01

    A growing number of environmental remediation technologies (e.g., drying, melting, or sintering) utilize microwave radiation as an integral part of the process. An increasing number of novel applications, such as sustaining low-temperature plasmas or enhancing chemical reactivity, are also being developed. An overview of such technologies being developed by the Department of Energy is presented. A specific example being developed at Argonne National Laboratory, microwave-induced plasma reactors for the destruction of volatile organic compounds, is discussed in more detail.

  5. EFFECT OF BIOSOLIDS APPLICATION ON SOIL METAL CHEMISTRY AND PHYTOAVAILABILITY

    EPA Science Inventory

    Addition of biosolids to soils increases the environmental loading of toxic metals (Cd, Zn, Cu, Ni, Pb, etc.) and alters the chemistry and phytoavailability of these metals. This alteration in phytoavailability associated with biosolids amended soil was recognized and utilized ...

  6. Pulse radiolysis of nucleic acids and their base constituents: Bibliographies on radiation chemistry. XI

    NASA Astrophysics Data System (ADS)

    von Sonntag, Clemens; Ross, Alberta B.

    In the elucidation of the primary processes involved in the free-radical-induced damage to DNA and its subunits, pulse radiolysis proves to be one of the most powerful tools. The first studies data back to 1964. The updating review (C. v. Sonntag, Radiat. Phys. Chem. 1987, 30, 313) which precedes this compilation has placed the emphasis on the more recent developments. It has been felt that a bibliography including the earlier literature on this subject might be helpful for further reading. For this compilation the data stored by the Radiation Chemistry Data Center bibliographic database (1) through 1986 were processed using the SELECT keywords: purines, pyrimidines, nucleotides, nucleosides, nucleic acids and pulse radiolysis. The number of citations found was reduced by about one-third by eliminating privately published symposia papers, theses and papers not strictly relevant to this topic, e.g. on flavins, NADH, one-electron reduction of nitrouracil or the redox potential of isobarbituric acid. On the other hand, a few more papers known to us but not revealed by the keywords were added. The bibliography is arranged in approximately chronological order, references grouped by year of publication. Reviews are collected at the end of the bibliography in a separate section.

  7. Polymer recycling: potential application of radiation technology

    NASA Astrophysics Data System (ADS)

    Burillo, Guillermina; Clough, Roger L.; Czvikovszky, Tibor; Guven, Olgun; Le Moel, Alain; Liu, Weiwei; Singh, Ajit; Yang, Jingtian; Zaharescu, Traian

    2002-04-01

    Management of solid waste is an important problem, which is becoming progressively worse as a byproduct of continuing economic growth and development. Polymeric materials (plastics and rubbers) comprise a steadily increasing proportion of the municipal and industrial waste going into landfill. Development of technologies for reducing polymeric waste, which are acceptable from the environmental standpoint, and which are cost-effective, has proven to be a difficult challenge due to complexities inherent in the reuse of polymers. Establishing optimal processes for the reuse/recycling of polymeric materials thus remains a worldwide challenge as we enter the new century. Due to the ability of ionizing radiation to alter the structure and properties of bulk polymeric materials, and the fact that it is applicable to essentially all polymer types, irradiation holds promise for impacting the polymer waste problem. The three main possibilities for use of radiation in this application are: (1) enhancing the mechanical properties and performance of recovered materials or material blends, principally through crosslinking, or through surface modification of different phases being combined; (2) treatment causing or enhancing the decomposition of polymers, particularly through chain scission, leading to recovery of either low molecular weight mixtures, or powders, for use as chemical feedstocks or additives; (3) production of advanced polymeric materials designed for environmental compatibility. This paper provides an overview of the polymer recycling problem, describes the major technological obstacles to the implementation of recycling technologies, and outlines some of the approaches being taken. A review of radiation-based recycling research is then provided, followed by a discussion of future directions where irradiation may be relevant to the problems currently inhibiting the widespread recycling of polymeric materials.

  8. Finite-rate chemistry effects upon convective and radiative heating of an atmospheric entry vehicle. [reentry aerothermochemistry

    NASA Technical Reports Server (NTRS)

    Guillermo, P.

    1975-01-01

    A mathematical model of the aerothermochemical environment along the stagnation line of a planetary return spacecraft using an ablative thermal protection system was developed and solved for conditions typical of atmospheric entry from planetary missions. The model, implemented as a FORTRAN 4 computer program, was designed to predict viscous, reactive and radiative coupled shock layer structure and the resulting body heating rates. The analysis includes flow field coupling with the ablator surface, binary diffusion, coupled line and continuum radiative and equilibrium or finite rate chemistry effects. The gas model used includes thermodynamic, transport, kinetic and radiative properties of air and ablation product species, including 19 chemical species and 16 chemical reactions. Specifically, the impact of nonequilibrium chemistry effects upon stagnation line shock layer structure and body heating rates was investigated.

  9. High-energy radiation and polymers: A review of commercial processes and emerging applications

    NASA Astrophysics Data System (ADS)

    Clough, R. L.

    2001-12-01

    Ionizing radiation has been found to be widely applicable in modifying the structure and properties of polymers, and can be used to tailor the performance of either bulk materials or surfaces. Fifty years of research in polymer radiation chemistry has led to numerous applications of commercial and economic importance, and work remains active in the application of radiation to practical uses involving polymeric materials. This paper provides a survey of radiation-processing methods of industrial interest, ranging from technologies already commercially well established, through innovations in the active R&D stage which show exceptional promise for future commercial use. Radiation-processing technologies are discussed under the following categories: cross-linking of plastics and rubbers, curing of coatings and inks, heat-shrink products, fiber-matrix composites, chain-scission for processing control, surface modification, grafting, hydrogels, sterilization, natural product enhancement, plastics recycling, ceramic precursors, electronic property materials, ion-track membranes and lithography for microdevice production. In addition to new technological innovations utilizing conventional gamma and e-beam sources, a number of promising new applications make use of novel radiation types which include ion beams (heavy ions, light ions, highly focused microscopic beams and high-intensity pulses), soft X-rays which are focused, coherent X-rays (from a synchrotron) and e-beams which undergo scattering to generate patterns.

  10. The effects of UV radiation, litter chemistry, and drought on desert litter decomposition

    NASA Astrophysics Data System (ADS)

    Lee, H.; Nieto, B.; Hewins, D. B.; Barnes, P. W.; McDowell, N. G.; Pockman, W.; Rahn, T.; Throop, H. L.

    2011-12-01

    Recent studies suggest that photodegradation by solar UV radiation can be a major driver of litter decomposition in dryland ecosystems. The importance of photodegradation in litter decomposition appears to decline with precipitation, suggesting that the relative importance of photodegradation may increase given current projections of future increases in drought severity in the southwestern USA. Several previous studies indicate that UV-B radiation (280-320 nm) is the most effective waveband in breaking chemical bonds forming organic material, but whether UV-B exposure may facilitate subsequent decomposition by microbes (i.e., photo-priming) has received little attention. In this study, we tested the effects of pre-exposure UV radiation (photo-priming), litter chemistry (lignin and cellulose content and nitrogen content), and drought on the rate of litter decomposition in a semi-arid ecosystem. To understand the effects of UV radiation on litter decomposition, we pre-exposed litter to three radiation treatments: control (no radiation), UV-A+visible, UV-A+UV-B+visible. Litter was exposed to the equivalent of three months' solar radiation of southern New Mexico prior to microbial decomposition. There were three litter types: basswood sheets (high lignin content), pure cellulose filter paper, and mesquite (Prosopis glandulosa) leaflets. Following radiation treatment, litter was placed in mesh litterbags that were buried within a large-scale precipitation manipulation experiment at the Sevilleta Long-Term Ecological Research site: control (ambient precipitation), elevated precipitation (x2 ambient precipitation), and drought (x0.5 ambient precipitation). We collected a subset of bags at 0, 1, 3, and 6 months and measured mass remaining and carbon (C) and nitrogen (N) content. After 6 months, mass remaining of filter paper and basswood sheets did not differ from the initial mass, but mesquite mass remaining declined over 30%. The pre-exposure UV effects had minimal

  11. Applications of carbon nanotubes in bioanalytical chemistry research

    NASA Astrophysics Data System (ADS)

    Koehne, Jessica E.

    This dissertation focuses on the interface and study of carbon nanotubes (CNTs) and carbon nanofibers (CNFs) with biology. The goal was to take advantage of the nanostructure of CNTs and CNFs for unconventional biomolecular studies requiring ultrahigh sensitivity, resolution, high-degree of miniaturization, and selective biofunctionalization. In this dissertation, CNFs were utilized as ultramicroelectrodes for novel biomolecule sensing and cell penetrating platforms, CNTs were utilized as high resolution atomic force microscopy (AFM) imaging probes for cell morphology investigations and CNTs were utilized to generate a platform by which to evaluate nanomaterial phytotoxicity. CNF arrays were utilized for ultrahigh sensitivity sensing and cell penetration platforms. Arrays of CNFs harness the advantages of an individual CNF as well the collective property of assemblies, which made them promising materials in biosensing and tissue engineering or implantation. Two CNF platforms were demonstrated. One platform exploited the CNF's nanoscale and strong conductance as ultramicroelectrodes for biomolecule sensing applications. The other platform made use of CNF's high aspect ratio structure to be an array of needle-like electrodes that support PC-12 cell growth and penetrated through the cell membrane. The goal was to take advantage of the nanostructure of CNFs for biomolecule detection and cell interfacing studies. CNT AFM probes were utilized for morphological characterization of fixed rat basophilic lymphocyte (RBL) cells. CNT AFM probes offer advantages in the visualization of cellular membrane morphology. Due to the inherent high aspect ratio geometry, CNT AFM probes were able to resolve unique membrane features, such as lamelopodia, filopodia and microvilli, of a spreading RBL cell where standard silicon probes could not. The structures resolved by the CNT probes are crucial to characterize cellular events such as spreading, locomotion, activation and differentiation

  12. Synchrotron radiation applications in medical research

    SciTech Connect

    Thomlinson, W.

    1995-12-31

    The medical projects employing synchrotron radiation as discussed in this paper are, for the most part, still in their infancies and no one can predict the direction in which they will develop. Both the basic research and applied medical programs are sure to be advanced at the new facilities coming on line, especially the ESRF and Spring- 8. However, success is not guaranteed. There is a lot of competition from advances in conventional imaging with the development of digital angiography, computed tomography, functional magnetic resonance imaging and ultrasound. The synchrotron programs will have to provide significant advantages over these modalities in order to be accepted by the medical profession. Advances in image processing and potentially the development of compact sources will be required in order to move the synchrotron developed imaging technologies into the clinical world. In any event, it can be expected that the images produced by the synchrotron technologies will establish ``gold standards`` to be targeted by conventional modalities. A lot more work needs to be done in order to bring synchrotron radiation therapy and surgery to the level of human studies and, subsequently, to clinical applications.

  13. Patterns in Organometallic Chemistry with Application in Organic Synthesis.

    ERIC Educational Resources Information Center

    Schwartz, Jeffrey; Labinger, Jay A.

    1980-01-01

    Of interest in this discussion of organometallic complexes are stoichiometric or catalytic reagents for organic synthesis in the complex transformations observed during synthesis for transition metal organometallic complexes. Detailed are general reaction types from which the chemistry or many transition metal organometallic complexes can be…

  14. Prediction of Log "P": ALOGPS Application in Medicinal Chemistry Education

    ERIC Educational Resources Information Center

    Kujawski, Jacek; Bernard, Marek K.; Janusz, Anna; Kuzma, Weronika

    2012-01-01

    Molecular hydrophobicity (lipophilicity), usually quantified as log "P" where "P" is the partition coefficient, is an important molecular characteristic in medicinal chemistry and drug design. The log "P" coefficient is one of the principal parameters for the estimation of lipophilicity of chemical compounds and pharmacokinetic properties. The…

  15. The Application of Chemistry to Conserve Cultural Heritage

    ERIC Educational Resources Information Center

    MacLeod, Ian D.

    2015-01-01

    During the past 50 years the amount of chemistry applied to the preservation of all sorts of materials, from wood, to ceramics, glass and metallic objects has increased dramatically as materials conservation laboratories became established around the world. In Australia, the finding of a series of historic shipwrecks of ships from the Dutch…

  16. Nuclear Cross Sections for Space Radiation Applications

    NASA Technical Reports Server (NTRS)

    Werneth, C. M.; Maung, K. M.; Ford, W. P.; Norbury, J. W.; Vera, M. D.

    2015-01-01

    The eikonal, partial wave (PW) Lippmann-Schwinger, and three-dimensional Lippmann-Schwinger (LS3D) methods are compared for nuclear reactions that are relevant for space radiation applications. Numerical convergence of the eikonal method is readily achieved when exact formulas of the optical potential are used for light nuclei (A = 16) and the momentum-space optical potential is used for heavier nuclei. The PW solution method is known to be numerically unstable for systems that require a large number of partial waves, and, as a result, the LS3D method is employed. The effect of relativistic kinematics is studied with the PW and LS3D methods and is compared to eikonal results. It is recommended that the LS3D method be used for high energy nucleon-nucleus reactions and nucleus-nucleus reactions at all energies because of its rapid numerical convergence and stability for both non-relativistic and relativistic kinematics.

  17. Electron beam chemistry produces high purity metals

    NASA Technical Reports Server (NTRS)

    Philipp, W. H.; May, C. E.; Marsik, S. J.; Lad, R. A.

    1972-01-01

    Application of radiation chemistry for deposition of metals by irradiation of aqueous solutions with high energy electrons is presented. Design of reaction vessel for irradiation of solution is illustrated. Features of radiochemical technique and procedures followed are described.

  18. The application of green chemistry methods in organophosphorus synthesis

    NASA Astrophysics Data System (ADS)

    Odinets, Irina L.; Matveeva, E. V.

    2012-03-01

    Data concerning the synthesis of organophosphorus compounds in ionic liquids, in water and under solvent-free conditions are considered and summarized. It is shown that this strategy, which complies with the definition of green chemistry, has advantages in terms of the rate of the process and the yields of target products as compared with syntheses in common organic solvents. The Wittig, Horner-Wadsworth-Emmons, Kabachnik-Fields, Arbuzov and Michaelis reactions are considered as examples. The bibliography includes 178 references.

  19. Spectroscopically Accurate Line Lists for Application in Sulphur Chemistry

    NASA Astrophysics Data System (ADS)

    Underwood, D. S.; Azzam, A. A. A.; Yurchenko, S. N.; Tennyson, J.

    2013-09-01

    Monitoring sulphur chemistry is thought to be of great importance for exoplanets. Doing this requires detailed knowledge of the spectroscopic properties of sulphur containing molecules such as hydrogen sulphide (H2S) [1], sulphur dioxide (SO2), and sulphur trioxide (SO3). Each of these molecules can be found in terrestrial environments, produced in volcano emissions on Earth, and analysis of their spectroscopic data can prove useful to the characterisation of exoplanets, as well as the study of planets in our own solar system, with both having a possible presence on Venus. A complete, high temperature list of line positions and intensities for H32 2 S is presented. The DVR3D program suite is used to calculate the bound ro-vibration energy levels, wavefunctions, and dipole transition intensities using Radau coordinates. The calculations are based on a newly determined, spectroscopically refined potential energy surface (PES) and a new, high accuracy, ab initio dipole moment surface (DMS). Tests show that the PES enables us to calculate the line positions accurately and the DMS gives satisfactory results for line intensities. Comparisons with experiment as well as with previous theoretical spectra will be presented. The results of this study will form an important addition to the databases which are considered as sources of information for space applications; especially, in analysing the spectra of extrasolar planets, and remote sensing studies for Venus and Earth, as well as laboratory investigations and pollution studies. An ab initio line list for SO3 was previously computed using the variational nuclear motion program TROVE [2], and was suitable for modelling room temperature SO3 spectra. The calculations considered transitions in the region of 0-4000 cm-1 with rotational states up to J = 85, and includes 174,674,257 transitions. A list of 10,878 experimental transitions had relative intensities placed on an absolute scale, and were provided in a form suitable

  20. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  1. Colour Chemistry

    ERIC Educational Resources Information Center

    Griffiths, J.; Rattee, I. D.

    1973-01-01

    Discusses the course offerings in pure color chemistry at two universities and the three main aspects of study: dyestuff chemistry, color measurement, and color application. Indicates that there exists a constant challenge to ingenuity in the subject discipline. (CC)

  2. Anisotropic conducting films for electromagnetic radiation applications

    DOEpatents

    Cavallo, Francesca; Lagally, Max G.; Rojas-Delgado, Richard

    2015-06-16

    Electronic devices for the generation of electromagnetic radiation are provided. Also provided are methods for using the devices to generate electromagnetic radiation. The radiation sources include an anisotropic electrically conducting thin film that is characterized by a periodically varying charge carrier mobility in the plane of the film. The periodic variation in carrier mobility gives rise to a spatially varying electric field, which produces electromagnetic radiation as charged particles pass through the film.

  3. Aerosols, Chemistry, and Radiative Forcing: A 3-D Model Analysis of Satellite and ACE-Asia data (ACMAP)

    NASA Technical Reports Server (NTRS)

    Chin, Mian; Ginoux, Paul; Torres, Omar; Zhao, Xue-Peng

    2005-01-01

    We propose a research project to incorporate a global 3-D model and satellite data into the multi-national Aerosol Characterization Experiment-Asia (ACE-Asia) mission. Our objectives are (1) to understand the physical, chemical, and optical properties of aerosols and the processes that control those properties over the Asian-Pacific region, (2) to investigate the interaction between aerosols and tropospheric chemistry, and (3) to determine the aerosol radiative forcing over the Asia-Pacific region. We will use the Georgia TecWGoddard Global Ozone Chemistry Aerosol Radiation and Transport (GOCART) model to link satellite observations and the ACE-Asia measurements. First, we will use the GOCART model to simulate aerosols and related species, and evaluate the model with satellite and in-situ observations. Second, the model generated aerosol vertical profiles and compositions will be used to validate the satellite products; and the satellite data will be used for during- and post- mission analysis. Third, we will use the model to analyze and interpret both satellite and ACE- Asia field campaign data and investigate the aerosol-chemistry interactions. Finally, we will calculate aerosol radiative forcing over the Asian-Pacific region, and assess the influence of Asian pollution in the global atmosphere. We propose a research project to incorporate a global 3-D model and satellite data into

  4. A gist of comprehensive review of hadronic chemistry and its applications

    SciTech Connect

    Tangde, Vijay M.

    2015-03-10

    20{sup th} century theories of Quantum Mechanics and Quantum Chemistry are exactly valid only when considered to represent the atomic structures. While considering the more general aspects of atomic combinations these theories fail to explain all the related experimental data from first unadulterated axiomatic principles. According to Quantum Chemistry two valence electrons should repel each other and as such there is no mathematical representation of a strong attractive forces between such valence electrons. In view of these and other insufficiencies of Quantum Chemistry, an Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures. Professor R M Santilli first formulated the iso-, geno- and hyper- mathematics [1, 2, 3, 4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli’s mathematics[3, 4, 5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6, 7, 8]. In the present discussion, a comprehensive review of Hadronic Chemistry is presented that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary, stepwise successes of Hadronic Chemistry and its application in development of a new chemical species called Magnecules.

  5. Polyglycerol dendrimers immobilized on radiation grafted poly-HEMA hydrogels: Surface chemistry characterization and cell adhesion

    NASA Astrophysics Data System (ADS)

    Higa, Olga Z.; Faria, Henrique Antonio Mendonça; de Queiroz, Alvaro A. A.

    2014-05-01

    Radiation induced grafting of poly(2-hydroxyethylmethacrylate) (PHEMA) on low density polyethylene (LDPE) films and subsequent immobilization of poly(glycerol) dendrimer (PGLD) has been performed with the aim to improve cell adhesion and proliferation on the surface of the polymer, in order to enhance their properties for bone tissue engineering scaffolding applications. Radiation grafting of PHEMA onto LDPE was promoted by γ-ray radiation. The covalent immobilization of PGLD on LDPE-g-PHEMA surface was performed by using a dicyclohexyl carbodiimide (DCC)/N,N-dimethylaminopyridine (DMAP) method. The occurrence of grafting polymerization of PHEMA and further immobilization of PGLD was quantitatively confirmed by photoelectron spectroscopy (XPS) and fluorescence, respectively. The LDPE-g-PHEMA surface topography after PGLD coupling was studied by atomic force microscopy (AFM). The hydrophilicity of the LDPE-g-PHEMA film was remarkably improved compared to that of the ungrafted LDPE. The core level XPS ESCA spectrum of PHEMA-grafted LDPE showed two strong peaks at 286.6 eV (from hydroxyl groups and ester groups) and 289.1 eV (from ester groups) due to PHEMA brushes grafted onto LDPE surfaces. The results from the cell adhesion studies show that MCT3-E1 cells tended to spread more slowly on the LDPE-g-PHEMA than on the LDPE-g-PHEMA-i-PGLD.

  6. Computational chemistry

    NASA Technical Reports Server (NTRS)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  7. RITRACKS: A Software for Simulation of Stochastic Radiation Track Structure, Micro and Nanodosimetry, Radiation Chemistry and DNA Damage for Heavy Ions

    NASA Technical Reports Server (NTRS)

    Plante, I; Wu, H

    2014-01-01

    The code RITRACKS (Relativistic Ion Tracks) has been developed over the last few years at the NASA Johnson Space Center to simulate the effects of ionizing radiations at the microscopic scale, to understand the effects of space radiation at the biological level. The fundamental part of this code is the stochastic simulation of radiation track structure of heavy ions, an important component of space radiations. The code can calculate many relevant quantities such as the radial dose, voxel dose, and may also be used to calculate the dose in spherical and cylindrical targets of various sizes. Recently, we have incorporated DNA structure and damage simulations at the molecular scale in RITRACKS. The direct effect of radiations is simulated by introducing a slight modification of the existing particle transport algorithms, using the Binary-Encounter-Bethe model of ionization cross sections for each molecular orbitals of DNA. The simulation of radiation chemistry is done by a step-by-step diffusion-reaction program based on the Green's functions of the diffusion equation]. This approach is also used to simulate the indirect effect of ionizing radiation on DNA. The software can be installed independently on PC and tablets using the Windows operating system and does not require any coding from the user. It includes a Graphic User Interface (GUI) and a 3D OpenGL visualization interface. The calculations are executed simultaneously (in parallel) on multiple CPUs. The main features of the software will be presented.

  8. On the Applicability of the Green Chemistry Principles to Sustainability of Organic Matter on Asteroids

    NASA Astrophysics Data System (ADS)

    Kolb, Vera M.

    2010-06-01

    The connection between astrobiology and green chemistry represents a new approach to sustainability of organic matter on asteroids or similar bodies. Green chemistry is chemistry which is environmentally friendly. One obvious way for chemistry to be green is to use water as a solvent, instead of more toxic organic solvents. Many astrobiological reactions occur in the aqueous medium, for example in the prebiotic soup or during the aqueous alteration period on asteroids. Thus any advances in the green organic reactions in water are directly applicable to astrobiology. Another green chemistry approach is to abolish use of toxic solvents. This can be accomplished by carrying out the reactions without a solvent in the solventless or solid-state reactions. The advances in these green reactions are directly applicable to the chemistry on asteroids during the periods when water was not available. Many reactions on asteroids may have been done in the solid mixtures. These reactions may be responsible for a myriad of organic compounds that have been isolated from the meteorites.

  9. Applications of Quantum Chemistry to the Study of Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Jaffe, Richard L.

    2005-01-01

    For several years, scientists at NASA Ames have been studying the properties of carbon nanotubes using various experimental and computational methods. In this talk, I will compare different strategies for using quantum chemistry calculations to describe the electronic structure, deformation and chemical functionalization of single wall carbon nanotubes (SWNT) and the physisorption of small molecules on nanotube surfaces. The SWNT can be treated as an infinite (periodic) or finite length carbon cylinder or as a polycyclic aromatic hydrocarbon (PAH) molecule with an imposed curvature maintained by external constraints (as if it were cut out of the SWNT surface). Calculations are carried out using DFT and MP2 methods and a variety of atomic orbital basis sets from minimal (STO-3G) to valence triple zeta. The optimal approach is based on the particular SWNT property of interest. Examples to be discussed include: nanotube fluorination and other functionalization reactions; coating of nanotubes by water vapor and low-molecular weight organic molecules; and the nature of the interface between SWNT and liquids such as water and amines. In many cases, the quantum chemistry calculations are used to parameterize or validate force fields for molecular dynamics simulations. The results of these calculations have helped explain experimental data and contributed to the design of novel materials and sensors based on carbon nanotubes. Some of this research is described in the following papers:

  10. Introduction to chemistry and applications in nature of mass independent isotope effects special feature.

    PubMed

    Thiemens, Mark H

    2013-10-29

    Stable isotope ratio variations are regulated by physical and chemical laws. These rules depend on a relation with mass differences between isotopes. New classes of isotope variation effects that deviate from mass dependent laws, termed mass independent isotope effects, were discovered in 1983 and have a wide range of applications in basic chemistry and nature. In this special edition, new applications of these effects to physical chemistry, solar system origin models, terrestrial atmospheric and biogenic evolution, polar paleo climatology, snowball earth geology, and present day atmospheric sciences are presented.

  11. Applications of organoboron compounds in carbohydrate chemistry and glycobiology: analysis, separation, protection, and activation.

    PubMed

    McClary, Corey A; Taylor, Mark S

    2013-11-15

    The reversible covalent interactions between organoboron compounds and diols have been applied for many years in carbohydrate chemistry. They form the basis of efficient methods for the detection of carbohydrates, and applications in cellular imaging and glycoprotein analysis are beginning to emerge. The interactions are also of widespread utility in carbohydrate synthesis: depending upon the coordination geometry at boron, either protection or activation of a bound diol motif may be achieved. This review article uses recent examples to illustrate the breadth of applications of organoboron compounds in carbohydrate chemistry.

  12. Application of Ion Mobility Spectrometry (IMS) in forensic chemistry and toxicology with focus on biological matrices

    NASA Technical Reports Server (NTRS)

    Bernhard, Werner; Keller, Thomas; Regenscheit, Priska

    1995-01-01

    The IMS (Ion Mobility Spectroscopy) instrument 'Ionscan' takes advantage of the fact that trace quantities of illicit drugs are adsorbed on dust particles on clothes, in cars and on other items of evidence. The dust particles are collected on a membrane filter by a special attachment on a vacuum cleaner. The sample is then directly inserted into the spectrometer and can be analyzed immediately. We show casework applications of a forensic chemistry and toxicology laboratory. One new application of IMS in forensic chemistry is the detection of psilocybin in dried mushrooms without any further sample preparation.

  13. Coordination chemistry and applications of versatile 4,5-diazafluorene derivatives.

    PubMed

    Annibale, Vincent T; Song, Datong

    2016-01-01

    This perspective review will examine the coordination chemistry and applications of metal complexes of 4,5-diazafluorene derivatives. The versatile derivatives of 4,5-diazafluorene can serve multiple roles, and display a number of coordination modes. The ambidentate derivatives with multiple coordination sites can allow for the syntheses of coordination polymers, multimetallic, and macrocyclic complexes. In addition, certain 4,5-diazafluorene derivatives can serve as spectator ligands to support reactivity at the metal centre, or as reactive actor ligands engaging in atypical reactivity patterns. The applications of metal complexes of 4,5-diazafluorene derivatives in catalysis, photochemistry and photophysics, as well as in bioinorganic chemistry are also surveyed.

  14. Introduction to Chemistry and Applications in Nature of Mass Independent Isotope Effects Special Feature

    PubMed Central

    Thiemens, Mark H.

    2013-01-01

    Stable isotope ratio variations are regulated by physical and chemical laws. These rules depend on a relation with mass differences between isotopes. New classes of isotope variation effects that deviate from mass dependent laws, termed mass independent isotope effects, were discovered in 1983 and have a wide range of applications in basic chemistry and nature. In this special edition, new applications of these effects to physical chemistry, solar system origin models, terrestrial atmospheric and biogenic evolution, polar paleo climatology, snowball earth geology, and present day atmospheric sciences are presented. PMID:24167299

  15. Introduction to chemistry and applications in nature of mass independent isotope effects special feature.

    PubMed

    Thiemens, Mark H

    2013-10-29

    Stable isotope ratio variations are regulated by physical and chemical laws. These rules depend on a relation with mass differences between isotopes. New classes of isotope variation effects that deviate from mass dependent laws, termed mass independent isotope effects, were discovered in 1983 and have a wide range of applications in basic chemistry and nature. In this special edition, new applications of these effects to physical chemistry, solar system origin models, terrestrial atmospheric and biogenic evolution, polar paleo climatology, snowball earth geology, and present day atmospheric sciences are presented. PMID:24167299

  16. he Impact of Primary Marine Aerosol on Atmospheric Chemistry, Radiation and Climate: A CCSM Model Development Study

    SciTech Connect

    Keene, William C.; Long, Michael S.

    2013-05-20

    This project examined the potential large-scale influence of marine aerosol cycling on atmospheric chemistry, physics and radiative transfer. Measurements indicate that the size-dependent generation of marine aerosols by wind waves at the ocean surface and the subsequent production and cycling of halogen-radicals are important but poorly constrained processes that influence climate regionally and globally. A reliable capacity to examine the role of marine aerosol in the global-scale atmospheric system requires that the important size-resolved chemical processes be treated explicitly. But the treatment of multiphase chemistry across the breadth of chemical scenarios encountered throughout the atmosphere is sensitive to the initial conditions and the precision of the solution method. This study examined this sensitivity, constrained it using high-resolution laboratory and field measurements, and deployed it in a coupled chemical-microphysical 3-D atmosphere model. First, laboratory measurements of fresh, unreacted marine aerosol were used to formulate a sea-state based marine aerosol source parameterization that captured the initial organic, inorganic, and physical conditions of the aerosol population. Second, a multiphase chemical mechanism, solved using the Max Planck Institute for Chemistry's MECCA (Module Efficiently Calculating the Chemistry of the Atmosphere) system, was benchmarked across a broad set of observed chemical and physical conditions in the marine atmosphere. Using these results, the mechanism was systematically reduced to maximize computational speed. Finally, the mechanism was coupled to the 3-mode modal aerosol version of the NCAR Community Atmosphere Model (CAM v3.6.33). Decadal-scale simulations with CAM v.3.6.33, were run both with and without reactive-halogen chemistry and with and without explicit treatment of particulate organic carbon in the marine aerosol source function. Simulated results were interpreted (1) to evaluate influences of

  17. Applications of Atomic Force Microscopy in Biophysical Chemistry of Cells

    PubMed Central

    Deng, Zhao; Lulevich, Valentin; Liu, Fu-tong; Liu, Gang-yu

    2014-01-01

    This article addresses the question of what information and new insights atomic force microscopy (AFM) provides that are of importance and relevance to cellular biophysical chemistry research. Three enabling aspects of AFM are discussed: (a) visualization of membrane structural features with nanometer resolution, such as microvilli, ridges, porosomes, lamellapodia, and filopodia; (b) revealing structural evolution associated with cellular signaling pathways by time-dependent and high-resolution imaging of the cellular membrane in correlation with intracellular components from simultaneous optical microscopy; and (c) qualitative and quantitative measurements of single cell mechanics by acquisition of force-deformation profiles and extraction of Young’s moduli for the membrane as well as cytoskeleton. A future prospective of AFM is also presented. PMID:20405961

  18. The role of IAEA in coordinating research and transferring technology in radiation chemistry and processing of polymers

    NASA Astrophysics Data System (ADS)

    Haji-Saeid, M.; Sampa, M. H.; Ramamoorthy, N.; Güven, O.; Chmielewski, A. G.

    2007-12-01

    The IAEA has been playing a significant role in fostering developments in radiation technology in general and radiation processing of polymers in particular, among its Member States (MS) and facilitate know-how/technology transfer to developing MS. The former is usually achieved through coordinated research projects (CRP) and thematic technical meetings, while the latter is mainly accomplished through technical cooperation (TC) projects. Coordinated research projects encourage research on, and development and practical application of, radiation technology to foster exchange of scientific and technical information. The technical cooperation (TC) programme helps Member States to realize their development priorities through the application of appropriate radiation technology. The IAEA has implemented several coordinated research projects (CRP) recently, including one on-going project, in the field of radiation processing of polymeric materials. The CRPs facilitated the acquisition and dissemination of know-how and technology for controlling of degradation effects in radiation processing of polymers, radiation synthesis of stimuli-responsive membranes, hydrogels and absorbents for separation purposes and the use of radiation processing to prepare biomaterials for applications in medicine. The IAEA extends cooperation to well-known international conferences dealing with radiation technology to facilitate participation of talented scientists from developing MS and building collaborations. The IAEA published technical documents, covering the findings of thematic technical meetings (TM) and coordinated research projects have been an important source of valuable practical information.

  19. THERMOPLASTIC MATERIALS APPLICATIONS IN RADIATION THERAPY.

    PubMed

    Munteanu, Anca; Moldoveanu, Sinziana; Manea, Elena

    2016-01-01

    This is an example of the use of thermoplastic materials in a high-tech medicine field, oncology radiation therapy, in order to produce the rigid masks for positioning and immobilization of the patient during simulation of the treatment procedure, the imaging verification of position and administration of the indicated radiation dose. Implementation of modern techniques of radiation therapy is possible only if provided with performant equipment (CT simulators, linear accelerators of high energy particles provided with multilamellar collimators and imaging verification systems) and accessories that increase the precision of the treatment (special supports for head-neck, thorax, pelvis, head-neck and thorax immobilization masks, compensating materials like bolus type material). The paper illustrates the main steps in modern radiation therapy service and argues the role of thermoplastics in reducing daily patient positioning errors during treatment. As part of quality assurance of irradiation procedure, using a rigid mask is mandatory when applying 3D conformal radiation therapy techniques, radiation therapy with intensity modulated radiation or rotational techninques.

  20. [Applications of electromagnetic radiation in medicine].

    PubMed

    Miłowska, Katarzyna; Grabowska, Katarzyna; Gabryelak, Teresa

    2014-05-08

    Recent decades have been devoted to the intense search for the response to questions related to the impact of radiation on the human body. Due to the growing fashion for a healthy lifestyle, increasing numbers of works about the alleged dangers of electromagnetic waves and diseases that they cause appeared. However, the discoveries of 20th century, and knowledge of the properties of electromagnetic radiation have allowed to broaden the horizons of the use of artificial sources of radiation in many fields of science and especially in medicine. The aim of this paper is to show that although excessive radiation or high doses are dangerous to the human body, its careful and controlled use, does not pose a threat, and it is often necessary in therapy. The possibility of using ionizing radiation in radiotherapy, isotope diagnostics or medical imaging, and non-ionizing radiation in the treatment for dermatological disorders and cancers will be presented. The unique properties of synchrotron radiation result in using it on a large scale in the diagnosis of pathological states by imaging methods.

  1. THERMOPLASTIC MATERIALS APPLICATIONS IN RADIATION THERAPY.

    PubMed

    Munteanu, Anca; Moldoveanu, Sinziana; Manea, Elena

    2016-01-01

    This is an example of the use of thermoplastic materials in a high-tech medicine field, oncology radiation therapy, in order to produce the rigid masks for positioning and immobilization of the patient during simulation of the treatment procedure, the imaging verification of position and administration of the indicated radiation dose. Implementation of modern techniques of radiation therapy is possible only if provided with performant equipment (CT simulators, linear accelerators of high energy particles provided with multilamellar collimators and imaging verification systems) and accessories that increase the precision of the treatment (special supports for head-neck, thorax, pelvis, head-neck and thorax immobilization masks, compensating materials like bolus type material). The paper illustrates the main steps in modern radiation therapy service and argues the role of thermoplastics in reducing daily patient positioning errors during treatment. As part of quality assurance of irradiation procedure, using a rigid mask is mandatory when applying 3D conformal radiation therapy techniques, radiation therapy with intensity modulated radiation or rotational techninques. PMID:27125096

  2. Modeling aqueous perchlorate chemistries with applications to Mars

    NASA Astrophysics Data System (ADS)

    Marion, G. M.; Catling, D. C.; Zahnle, K. J.; Claire, M. W.

    2010-06-01

    NASA's Phoenix lander identified perchlorate and carbonate salts on Mars. Perchlorates are rare on Earth, and carbonates have largely been ignored on Mars following the discovery by NASA's Mars Exploration Rovers of acidic precipitated minerals such as jarosite. In light of the Phoenix results, we updated the aqueous thermodynamic model FREZCHEM to include perchlorate chemistry. FREZCHEM models the Na-K-Mg-Ca-Fe(II)-Fe(III)-Al-H-Cl-Br-SO 4-NO 3-OH-HCO 3-CO 3-CO 2-O 2-CH 4-Si-H 2O system, with 95 solid phases. We added six perchlorate salts: NaClO 4·H 2O, NaClO 4·2H 2O, KClO 4, Mg(ClO 4) 2·6H 2O, Mg(ClO 4) 2·8H 2O, and Ca(ClO 4) 2·6H 2O. Modeled eutectic temperatures for Na, Mg, and Ca perchlorates ranged from 199 K (-74 °C) to 239 K (-34 °C) in agreement with experimental data. We applied FREZCHEM to the average solution chemistry measured by the Wet Chemistry Laboratory (WCL) experiment at the Phoenix site when soil was added to water. FREZCHEM was used to estimate SO42- and alkalinity concentrations that were missing from the WCL data. The amount of SO42- is low compared to estimates from elemental abundance made by other studies on Mars. In the charge-balanced solution, the dominant cations were Mg 2+ and Na + and the dominant anions were ClO4-,SO42-, and alkalinity. The abundance of calcite measured at the Phoenix site has been used to infer that the soil may have been subject to liquid water in the past, albeit not necessarily locally; so we used FREZCHEM to evaporate (at 280.65 K) and freeze (from 280.65 to 213.15 K) the WCL-measured solution to provide insight into salts that may have been in the soil. Salts that precipitated under both evaporation and freezing were calcite, hydromagnesite, gypsum, KClO 4, and Mg(ClO 4) 2·8H 2O. Epsomite (MgSO 4·7H 2O) and NaClO 4·H 2O were favored by evaporation at temperatures >0 °C, while meridianite (MgSO 4·11H 2O), MgCl 2·12H 2O, and NaClO 4·2H 2O were favored at subzero temperatures. Incongruent melting

  3. Biomedical applications of radiation technology in Mexico

    NASA Astrophysics Data System (ADS)

    Martínez-Pardo, Ma. Esther; Vera-Graziano, R.; Ramos-Durón, L. E.

    1998-06-01

    Mexican Health Institutions continuously require suitable medical grade prosthetic materials for reconstructive and plastic surgery. In particular, the requirements of polydimethylsiloxane, PDMS, for soft tissue replacements are rapidly growing. In addition to molecular weight, the properties of PDMS in biomedicine strongly depend on its purity, formulation and processing. High energy radiation has been used for both the synthesis of highly pure PDMS, free of catalyst and chemicals, and for sterilization of biomedical products. Here, are discussed the gamma radiation polymerization of different siloxane precursors to obtain PDMS with specific functionality and molecular structure as well as the radiation sterilization of amniotic membranes used as wound dressing.

  4. Modeling hot spring chemistries with applications to martian silica formation

    NASA Astrophysics Data System (ADS)

    Marion, G. M.; Catling, D. C.; Crowley, J. K.; Kargel, J. S.

    2011-04-01

    Many recent studies have implicated hydrothermal systems as the origin of martian minerals across a wide range of martian sites. Particular support for hydrothermal systems include silica (SiO 2) deposits, in some cases >90% silica, in the Gusev Crater region, especially in the Columbia Hills and at Home Plate. We have developed a model called CHEMCHAU that can be used up to 100 °C to simulate hot springs associated with hydrothermal systems. The model was partially derived from FREZCHEM, which is a colder temperature model parameterized for broad ranges of temperature (<-70 to 25 °C), pressure (1-1000 bars), and chemical composition. We demonstrate the validity of Pitzer parameters, volumetric parameters, and equilibrium constants in the CHEMCHAU model for the Na-K-Mg-Ca-H-Cl-ClO 4-SO 4-OH-HCO 3-CO 3-CO 2-O 2-CH 4-Si-H 2O system up to 100 °C and apply the model to hot springs and silica deposits. A theoretical simulation of silica and calcite equilibrium shows how calcite is least soluble with high pH and high temperatures, while silica behaves oppositely. Such influences imply that differences in temperature and pH on Mars could lead to very distinct mineral assemblages. Using measured solution chemistries of Yellowstone hot springs and Icelandic hot springs, we simulate salts formed during the evaporation of two low pH cases (high and low temperatures) and a high temperature, alkaline (high pH) sodic water. Simulation of an acid-sulfate case leads to precipitation of Fe and Al minerals along with silica. Consistency with martian mineral assemblages suggests that hot, acidic sulfate solutions are plausibility progenitors of minerals in the past on Mars. In the alkaline pH (8.45) simulation, formation of silica at high temperatures (355 K) led to precipitation of anhydrous minerals (CaSO 4, Na 2SO 4) that was also the case for the high temperature (353 K) low pH case where anhydrous minerals (NaCl, CaSO 4) also precipitated. Thus we predict that secondary

  5. Modeling hot spring chemistries with applications to martian silica formation

    USGS Publications Warehouse

    Marion, G.M.; Catling, D.C.; Crowley, J.K.; Kargel, J.S.

    2011-01-01

    Many recent studies have implicated hydrothermal systems as the origin of martian minerals across a wide range of martian sites. Particular support for hydrothermal systems include silica (SiO2) deposits, in some cases >90% silica, in the Gusev Crater region, especially in the Columbia Hills and at Home Plate. We have developed a model called CHEMCHAU that can be used up to 100??C to simulate hot springs associated with hydrothermal systems. The model was partially derived from FREZCHEM, which is a colder temperature model parameterized for broad ranges of temperature (<-70 to 25??C), pressure (1-1000 bars), and chemical composition. We demonstrate the validity of Pitzer parameters, volumetric parameters, and equilibrium constants in the CHEMCHAU model for the Na-K-Mg-Ca-H-Cl-ClO4-SO4-OH-HCO3-CO3-CO2-O2-CH4-Si-H2O system up to 100??C and apply the model to hot springs and silica deposits.A theoretical simulation of silica and calcite equilibrium shows how calcite is least soluble with high pH and high temperatures, while silica behaves oppositely. Such influences imply that differences in temperature and pH on Mars could lead to very distinct mineral assemblages. Using measured solution chemistries of Yellowstone hot springs and Icelandic hot springs, we simulate salts formed during the evaporation of two low pH cases (high and low temperatures) and a high temperature, alkaline (high pH) sodic water. Simulation of an acid-sulfate case leads to precipitation of Fe and Al minerals along with silica. Consistency with martian mineral assemblages suggests that hot, acidic sulfate solutions are plausibility progenitors of minerals in the past on Mars. In the alkaline pH (8.45) simulation, formation of silica at high temperatures (355K) led to precipitation of anhydrous minerals (CaSO4, Na2SO4) that was also the case for the high temperature (353K) low pH case where anhydrous minerals (NaCl, CaSO4) also precipitated. Thus we predict that secondary minerals associated with

  6. The Lampedusa supersite of ChArMex: observing aerosol-radiation interactions and gas phase chemistry in the Mediterranean

    NASA Astrophysics Data System (ADS)

    Formenti, Paola; di Sarra, Alcide Giorgio

    2014-05-01

    Within the frame of the ADRIMED (Aerosol Direct Radiative Impact in the regional climate in the MEDiterranean region) project of the Chemistry-Aerosol Mediterranean experiment (ChArMex), the ENEA Laboratory for Climate Study "Roberto Sarao" (WMO/GAW/NDACC) on the Island of Lampedusa (35°31'N, 12°37°E) has been augmented to one of the supersites of the first phase of the Special Observing Period 1 by the measurements of the in situ properties of aerosols and trace gases by the of the PortablE Gas and Aerosol Sampling Units (PEGASUS) mobile station. The ground-based measurements have been completed by several coordinated overpasses of the ATR-42 and the F20 of SAFIRE. In this paper we present the first highlights of operations, which took place between June 6 and July 8 2013. Insights on the data provide with an unprecedented characterisation of the physico-chemical and properties aerosols and gas phase chemistry on air masses of various origins (pollution, marine, mineral dust, …..). The effect of aerosols on radiation fields is ascertained by coupling ground-based and aircraft measurements during dedicated overpasses providing with measurements of upwelling and downwelling shortwave and longwave radiation fluxes together with the properties of the aerosol load resolved on the column. Coordination with CALIPSO overpasses will also be explored.

  7. Biochar application during reforestation alters species present and soil chemistry.

    PubMed

    Drake, J A; Carrucan, A; Jackson, W R; Cavagnaro, T R; Patti, A F

    2015-05-01

    Reforestation of landscapes is being used as a method for tackling climate change through carbon sequestration and land restoration, as well as increasing biodiversity and improving the provision of ecosystem services. The success of reforestation activities can be reduced by adverse field conditions, including those that reduce germination and survival of plants. One method for improving success is biochar addition to soil, which is not only known to improve soil carbon sequestration, but is also known to improve growth, health, germination and survival of plants. In this study, biochar was applied to soil at rates of 0, 1, 3 and 6 t ha(-1) along with a direct-seed forest species mix at three sites in western Victoria, Australia. Changes in soil chemistry, including total carbon, and germination and survival of species were measured over an 18 month period. Biochar was found to significantly increase total carbon by up to 15.6% on soils low in carbon, as well as alter electrical conductivity, Colwell phosphorous and nitrate- and ammonium-nitrogen. Biochar also increased the number of species present, and stem counts of Eucalyptus species whilst decreasing stem counts of Acacia species. Biochar has the potential to positively benefit reforestation activities, but site specific and plant-soil-biochar responses require targeted research. PMID:25679816

  8. Biochar application during reforestation alters species present and soil chemistry.

    PubMed

    Drake, J A; Carrucan, A; Jackson, W R; Cavagnaro, T R; Patti, A F

    2015-05-01

    Reforestation of landscapes is being used as a method for tackling climate change through carbon sequestration and land restoration, as well as increasing biodiversity and improving the provision of ecosystem services. The success of reforestation activities can be reduced by adverse field conditions, including those that reduce germination and survival of plants. One method for improving success is biochar addition to soil, which is not only known to improve soil carbon sequestration, but is also known to improve growth, health, germination and survival of plants. In this study, biochar was applied to soil at rates of 0, 1, 3 and 6 t ha(-1) along with a direct-seed forest species mix at three sites in western Victoria, Australia. Changes in soil chemistry, including total carbon, and germination and survival of species were measured over an 18 month period. Biochar was found to significantly increase total carbon by up to 15.6% on soils low in carbon, as well as alter electrical conductivity, Colwell phosphorous and nitrate- and ammonium-nitrogen. Biochar also increased the number of species present, and stem counts of Eucalyptus species whilst decreasing stem counts of Acacia species. Biochar has the potential to positively benefit reforestation activities, but site specific and plant-soil-biochar responses require targeted research.

  9. Novel applications of light hydrocarbons chemistry in petroleum exploration

    SciTech Connect

    Mango, F.D. )

    1991-03-01

    The light hydrocarbons in petroleum are products of a kerogen-specific catalytic process. The catalysts are believed to be the transition metals entrained in kerogen. The process is controlled by the metals in the active sites and the kerogenous organic structures surrounding the active sites. Different catalytic sites are suggested to yield distinct distributions of light hydrocarbons. The author recognizes three dominant (primary) distributions, with all other distributions adequately represented by some linear combination of the three primary distributions. Three catalytic sites, therefore, can be associated with the generation of light hydrocarbons. He introduces a simple and inexpensive procedure using cross plots of various product ratios to correlate oils and source rocks. It has proven to be a remarkably articulate and powerful tool for deconvoluting diverse oils into genetic groups. The light hydrocarbons are also indicators of oil-generation temperature and other physical parameters associated with oil generation. The analysis of light hydrocarbons from this perspective is new. It provides the exploration geochemist with a novel technique for gaining insight into the fundamental chemistry of petroleum generation.

  10. Surface radiation budget for climate applications

    NASA Technical Reports Server (NTRS)

    Suttles, J. T. (Editor); Ohring, G. (Editor)

    1986-01-01

    The Surface Radiation Budget (SRB) consists of the upwelling and downwelling radiation fluxes at the surface, separately determined for the broadband shortwave (SW) (0 to 5 micron) and longwave (LW) (greater than 5 microns) spectral regions plus certain key parameters that control these fluxes, specifically, SW albedo, LW emissivity, and surface temperature. The uses and requirements for SRB data, critical assessment of current capabilities for producing these data, and directions for future research are presented.

  11. Applications of nuclear data in human radiation dosimetry

    SciTech Connect

    Kerr, G.D.; Eckerman, K.F. )

    1991-01-01

    Individuals are exposed to ionizing radiations in two ways: from radiation sources external to the body or from internal sources. In either case, the magnitude of the radiation dose to the sensitive tissues of the body is of primary concern. Radiation dose (or absorbed dose) is a physical quantity defined as the amount of ionizing energy absorbed per unit mass of material. For radiation protection purposes, however, it is also necessary to use the dose equivalent, which includes modifiers of absorbed dose to more fully reflect the biological considerations associated with different ionizing radiations. A research group at Oak Ridge National Laboratory has focused on defining the exposure-dose relationship (i.e., the relationship between radiation exposure from internal or external sources and the radiation dose received by tissues of the body). Although radiation can be readily detected and measured, it is not feasible to make direct measurements of the dose within the organs and tissues of the body. Nuclear data have been extensively used in these studies but improvements are needed in the current nuclear data base. Examples of these applications include studies dealing with (a) the application of the recommendations of Publication 26 of the International Committee on Radiological Protection in the dosimetry of internally deposited radionuclides and (b) the reassessment of radiation dosimetry for the atomic bombs in Hiroshima and Nagasaki.

  12. Uniqueness of Zinc as a Bioelement: Principles and Applications in Bioinorganic Chemistry--III.

    ERIC Educational Resources Information Center

    Ochiai, Ei-Ichiro

    1988-01-01

    Attempts to delineate certain basic principles and applications of bioinorganic chemistry to oxidation-reduction reactions. Examines why zinc(II) is so uniquely suited to enzymated reactions of the acid-base type. Suggests the answer may be in the natural abundance and the basic physicochemical properties of zinc(II). (MVL)

  13. Effects of enhanced UV-B radiation on plant chemistry: nutritional consequences for a specialist and generalist lagomorph.

    PubMed

    Thines, Nicole J; Shipley, Lisa A; Bassman, John H; Fellman, John K; Mattison, D Scott; Slusser, James R; Gao, Wei

    2007-05-01

    Ultraviolet-B (UV-B) radiation has been increasing in temperate latitudes in recent decades and is expected to continue rising for some time. Enhanced UV-B radiation can change plant chemistry, yet the effects of these changes on mammalian herbivores are unknown. To examine the influence of enhanced UV-B radiation on nutrition of a specialist and generalist hindgut fermenter, we measured nutritional and chemical constituents of three common North American range plants, big sagebrush (Artemisia tridentata), yarrow (Achillea millefolium), and bluebunch wheatgrass (Pseudoregneria spicata), and how these changes influenced in vitro dry matter digestibility and in vivo digestibility by pygmy rabbits (Brachylagus idahoensis) and eastern cottontails (Sylvilagus floridanus). Forages were irradiated for 3 mo with ambient (1x) or supplemental (1.6x) UV-B radiation representing a 15% ozone depletion for Pullman, WA, USA. Enhanced UV-B radiation had minimal effects on the nutritional content and the tannin-binding capacity of forages. Similarly, the terpene concentration in sagebrush and yarrow was not affected by higher UV-B irradiances. Flavonoid compounds increased in sagebrush but decreased in yarrow. Rabbit preference and intake was not affected by treatment levels for any forage species and no differences were found between treatments for dry matter, fiber, protein digestibility, and apparent digestible energy. PMID:17406969

  14. Solid State Radiation Dosimeters for Space and Medical Applications

    NASA Technical Reports Server (NTRS)

    Buehler, Martin G. (Editor)

    1996-01-01

    This report describes the development of two radiation monitors (RADMON's) for use in detecting total radiation dose and high-energy particles. These radiation detectors are chip-size devices fabricated in 1.2 micrometer CMOS and have flown in space on both experimental and commercial spacecraft. They have been used to characterize protons and electrons in the Earth's radiation belts, particles from the Sun, and protons used for medical therapy. Having proven useful in a variety of applications, the detector is now being readied for commercialization.

  15. Click Chemistry Mediated Functionalization of Vertical Nanowires for Biological Applications.

    PubMed

    Vutti, Surendra; Schoffelen, Sanne; Bolinsson, Jessica; Buch-Månson, Nina; Bovet, Nicolas; Nygård, Jesper; Martinez, Karen L; Meldal, Morten

    2016-01-11

    Semiconductor nanowires (NWs) are gaining significant importance in various biological applications, such as biosensing and drug delivery. Efficient and controlled immobilization of biomolecules on the NW surface is crucial for many of these applications. Here, we present for the first time the use of the Cu(I) -catalyzed alkyne-azide cycloaddition and its strain-promoted variant for the covalent functionalization of vertical NWs with peptides and proteins. The potential of the approach was demonstrated in two complementary applications of measuring enzyme activity and protein binding, which is of general interest for biological studies. The attachment of a peptide substrate provided NW arrays for the detection of protease activity. In addition, green fluorescent protein was immobilized in a site-specific manner and recognized by antibody binding to demonstrate the proof-of-concept for the use of covalently modified NWs for diagnostic purposes using minute amounts of material.

  16. Radiation transport Part B: Applications with examples

    SciTech Connect

    Beutler, D.E.

    1997-06-01

    In the previous sections Len Lorence has described the need, theory, and types of radiation codes that can be applied to model the results of radiation effects tests or working environments for electronics. For the rest of this segment, the author will concentrate on the specific ways the codes can be used to predict device response or analyze radiation test results. Regardless of whether one is predicting responses in a working or test environment, the procedures are virtually the same. The same can be said for the use of 1-, 2-, or 3-dimensional codes and Monte Carlo or discrete ordinates codes. No attempt is made to instruct the student on the specifics of the code. For example, the author will not discuss the details, such as the number of meshes, energy groups, etc. that are appropriate for a discrete ordinates code. For the sake of simplicity, he will restrict himself to the 1-dimensional code CEPXS/ONELD. This code along with a wide variety of other radiation codes can be obtained form the Radiation Safety Information Computational Center (RSICC) for a nominal handling fee.

  17. Recent Applications of Carbon-Based Nanomaterials in Analytical Chemistry: Critical Review

    PubMed Central

    Scida, Karen; Stege, Patricia W.; Haby, Gabrielle; Messina, Germán A.; García, Carlos D.

    2011-01-01

    The objective of this review is to provide a broad overview of the advantages and limitations of carbon-based nanomaterials with respect to analytical chemistry. Aiming to illustrate the impact of nanomaterials on the development of novel analytical applications, developments reported in the 2005–2010 period have been included and divided into sample preparation, separation, and detection. Within each section, fullerenes, carbon nanotubes, graphene, and composite materials will be addressed specifically. Although only briefly discussed, included is a section highlighting nanomaterials with interesting catalytic properties that can be used in the design of future devices for analytical chemistry. PMID:21458626

  18. Recent developments and applications of clickable photoprobes in medicinal chemistry and chemical biology.

    PubMed

    Lapinsky, David J; Johnson, Douglas S

    2015-01-01

    Photoaffinity labeling is a well-known biochemical technique that has grown significantly since the turn of the century, principally due to its combination with bioorthogonal/click chemistry reactions. This review highlights new developments and applications of clickable photoprobes in medicinal chemistry and chemical biology. In particular, recent examples of clickable photoprobes for target identification, activity- or affinity-based protein profiling (ABPP or AfBPP), characterization of sterol- or lipid-protein interactions and characterization of ligand-binding sites are presented.

  19. See the Light! A Nice Application of Calculus to Chemistry

    ERIC Educational Resources Information Center

    Boersma, Stuart; McGowan, Garrett

    2007-01-01

    Some simple modeling with Riemann sums can be used to develop Beer's Law, which describes the relationship between the absorbance of light and the concentration of the solution which the light is penetrating. A further application of the usefulness of Beer's Law in creating calibration curves is also presented. (Contains 3 figures.)

  20. Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

    ERIC Educational Resources Information Center

    Borman, Stuart A.

    1982-01-01

    Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

  1. ROCK: the Roche medicinal chemistry knowledge application - design, use and impact.

    PubMed

    Mayweg, Alexander; Hofer, Urs; Schnider, Patrick; Agnetti, Fausto; Galley, Guido; Mattei, Patrizio; Lucas, Matthew; Boehm, Hans-Joachim

    2011-08-01

    Medicinal chemistry is a complex science that lies at the interface of many fields of research and at the very heart of drug discovery, with property relationships based on chemical structure at its core. It is clear that the effective capture and dissemination of medicinal chemistry knowledge and experience will be a key differentiator among pharmaceutical organizations and crucial for the future success in delivering effective and safe drug candidates. Therefore, in 2005 we developed ROCK (Roche medicinal chemistry knowledge), an internal user-friendly and peer-reviewed Wiki-like application to capture, browse and search tacit knowledge, key discoveries and property effects related to chemical structure, which is used as a primary source for addressing challenges faced in drug design.

  2. Application of click chemistry conditions for 5-bromo-2'-deoxyuridine determination through Fenton and related reactions.

    PubMed

    Cappella, Paolo; Pulici, Maurizio; Gasparri, Fabio

    2015-01-05

    Mixtures of ascorbate and copper used in certain click chemistry experimental conditions act as oxidizing agents, catalyzing the formation of reactive oxygen species through Fenton and related reactions. Hydroxyl radicals act as chemical nucleases, introducing DNA strand breaks that can be exploited for BrdU immunostaining in place of acid denaturation. This procedure is readily applicable to high content analysis and flow cytometry assays, and provides results comparable to click chemistry EdU cycloaddition and classical BrdU immunodetection. Importantly, this approach allows preservation of labile epitopes such as phosphoproteins. This unit describes an optimized method that successfully employs Fenton chemistry for simultaneous detection of phosphoproteins and BrdU in intact cells.

  3. The effects of metallicity, UV radiation and non-equilibrium chemistry in high-resolution simulations of galaxies

    NASA Astrophysics Data System (ADS)

    Richings, A. J.; Schaye, Joop

    2016-05-01

    We present a series of hydrodynamic simulations of isolated galaxies with stellar mass of 109 M⊙. The models use a resolution of 750 M⊙ per particle and include a treatment for the full non-equilibrium chemical evolution of ions and molecules (157 species in total), along with gas cooling rates computed self-consistently using the non-equilibrium abundances. We compare these to simulations evolved using cooling rates calculated assuming chemical (including ionization) equilibrium, and we consider a wide range of metallicities and UV radiation fields, including a local prescription for self-shielding by gas and dust. We find higher star formation rates and stronger outflows at higher metallicity and for weaker radiation fields, as gas can more easily cool to a cold (few hundred Kelvin) star-forming phase under such conditions. Contrary to variations in the metallicity and the radiation field, non-equilibrium chemistry generally has no strong effect on the total star formation rates or outflow properties. However, it is important for modelling molecular outflows. For example, the mass of H2 outflowing with velocities {>}50 {km} {s}^{-1} is enhanced by a factor ˜20 in non-equilibrium. We also compute the observable line emission from C II and CO. Both are stronger at higher metallicity, while C II and CO emission are higher for stronger and weaker radiation fields, respectively. We find that C II is generally unaffected by non-equilibrium chemistry. However, emission from CO varies by a factor of ˜2-4. This has implications for the mean XCO conversion factor between CO emission and H2 column density, which we find is lowered by up to a factor ˜2.3 in non-equilibrium, and for the fraction of CO-dark molecular gas.

  4. Applications of new mass spectrometry techniques in pesticide chemistry

    SciTech Connect

    Rosen, J.

    1987-01-01

    The partial contents are: New Instruments, New Methods and the Search for Selectivity. Chemical Ionization Mass Spectrometry in Pesticide Metabolite Indentification. Negative Ion Electron Capture Chemical Ionization Mass Spectrometry of Fluorinated Pesticide Derivatives. Negative Ion Chemical Ionization Mass Spectrometry of Toxaphene. Methane-enhanced Negative Ion Mass Spectra of Hexachlorocyclopentadiene Derivatives. Isomer Specific Analysis of Dioxins and Dibenzofurnas by HRGC/SIM-MS. Determination of Double-bond Position in Conjugated Dienes by Chemical Ionization Mass Spectrometry with Isobutane. Application of Desorption Chemical Ionization Techniques for Analysis of Biologically Active Compounds Isolated from Insects. FD and FAB Mass Spectrometry of Sulfate Conjugants and of Conjugated Metabolites of Pyroquilon. Application of Fast Atom Bombardment Mass Spectrometry to Polar Pesticides. Thermospray HPLC/MS as a Problem-solving Tool for the Analysis of Thermally Labile Herbicides.

  5. Application of Improved Radiation Modeling to General Circulation Models

    SciTech Connect

    Michael J Iacono

    2011-04-07

    This research has accomplished its primary objectives of developing accurate and efficient radiation codes, validating them with measurements and higher resolution models, and providing these advancements to the global modeling community to enhance the treatment of cloud and radiative processes in weather and climate prediction models. A critical component of this research has been the development of the longwave and shortwave broadband radiative transfer code for general circulation model (GCM) applications, RRTMG, which is based on the single-column reference code, RRTM, also developed at AER. RRTMG is a rigorously tested radiation model that retains a considerable level of accuracy relative to higher resolution models and measurements despite the performance enhancements that have made it possible to apply this radiation code successfully to global dynamical models. This model includes the radiative effects of all significant atmospheric gases, and it treats the absorption and scattering from liquid and ice clouds and aerosols. RRTMG also includes a statistical technique for representing small-scale cloud variability, such as cloud fraction and the vertical overlap of clouds, which has been shown to improve cloud radiative forcing in global models. This development approach has provided a direct link from observations to the enhanced radiative transfer provided by RRTMG for application to GCMs. Recent comparison of existing climate model radiation codes with high resolution models has documented the improved radiative forcing capability provided by RRTMG, especially at the surface, relative to other GCM radiation models. Due to its high accuracy, its connection to observations, and its computational efficiency, RRTMG has been implemented operationally in many national and international dynamical models to provide validated radiative transfer for improving weather forecasts and enhancing the prediction of global climate change.

  6. Computational chemistry for graphene-based energy applications: progress and challenges

    NASA Astrophysics Data System (ADS)

    Hughes, Zak E.; Walsh, Tiffany R.

    2015-04-01

    Research in graphene-based energy materials is a rapidly growing area. Many graphene-based energy applications involve interfacial processes. To enable advances in the design of these energy materials, such that their operation, economy, efficiency and durability is at least comparable with fossil-fuel based alternatives, connections between the molecular-scale structure and function of these interfaces are needed. While it is experimentally challenging to resolve this interfacial structure, molecular simulation and computational chemistry can help bridge these gaps. In this Review, we summarise recent progress in the application of computational chemistry to graphene-based materials for fuel cells, batteries, photovoltaics and supercapacitors. We also outline both the bright prospects and emerging challenges these techniques face for application to graphene-based energy materials in future.

  7. Computational chemistry for graphene-based energy applications: progress and challenges.

    PubMed

    Hughes, Zak E; Walsh, Tiffany R

    2015-04-28

    Research in graphene-based energy materials is a rapidly growing area. Many graphene-based energy applications involve interfacial processes. To enable advances in the design of these energy materials, such that their operation, economy, efficiency and durability is at least comparable with fossil-fuel based alternatives, connections between the molecular-scale structure and function of these interfaces are needed. While it is experimentally challenging to resolve this interfacial structure, molecular simulation and computational chemistry can help bridge these gaps. In this Review, we summarise recent progress in the application of computational chemistry to graphene-based materials for fuel cells, batteries, photovoltaics and supercapacitors. We also outline both the bright prospects and emerging challenges these techniques face for application to graphene-based energy materials in future. PMID:25833794

  8. Cu, Fe, Mn, and Zn chelates offer a medicinal chemistry approach to overcoming radiation injury.

    PubMed

    Sorenson, John R J

    2002-03-01

    This review points out that treatment with essential metalloelement (Cu, Fe, Mn, and Zn) chelates facilitate tissue repair processes required for recovery from radiation injury including survival of lethally irradiated mice and rats. Results of studies pertaining to successful uses of bioavailable essential metalloelement chelates and combinations of them as well as aminothiols, Ca-channel blockers, acyl Melatonin homologs, substituted anilines, and curcumin radioprotectants are included in this review to suggest their use as chelates in overcoming radiation injury. Additional reports document that non-toxic doses of essential metalloelement chelates are effective in increasing survival and repairing radiation injury when administered before irradiation, in the radiation protection paradigm, and effective in increasing survival when used to treat after irradiation, in the radiorecovery paradigm. There are no other agents known to be effective in increasing survival when they are used to treat after irradiation. These approaches to radioprotection and radiorecovery offer promising approaches to facilitating recovery from radiation-induced injury experienced by patients undergoing radiation therapy for their neoplastic disease and by individuals who experience environmental, occupational, or accidental exposure to ionizing radiation. These individuals include those exposed to radiation resulting from nuclear accidents, the use of depleted uranium missiles, and astronauts undertaking space travel. Since there are no existing safe and effective treatments of radiation injury, studies of essential metalloelement chelates and combinations of them, as well as combinations of them with existing radioprotectant aminothiols, Ca-channel blockers, acyl Melatonin homologs, substituted anilines, and curcumin as radioprotectants seem worthwhile.

  9. Application of ultra high pressure (UHP) in starch chemistry.

    PubMed

    Kim, Hyun-Seok; Kim, Byung-Yong; Baik, Moo-Yeol

    2012-01-01

    Ultra high pressure (UHP) processing is an attractive non-thermal technique for food treatment and preservation at room temperature, with the potential to achieve interesting functional effects. The majority of UHP process applications in food systems have focused on shelf-life extension associated with non-thermal sterilization and a reduction or increase in enzymatic activity. Only a few studies have investigated modifications of structural characteristics and/or protein functionalities. Despite the rapid expansion of UHP applications in food systems, limited information is available on the effects of UHP on the structural and physicochemical properties of starch and/or its chemical derivatives included in most processed foods as major ingredients or minor additives. Starch and its chemical derivatives are responsible for textural and physical properties of food systems, impacting their end-use quality and/or shelf-life. This article reviews UHP processes for native (unmodified) starch granules and their effects on the physicochemical properties of UHP-treated starch. Furthermore, functional roles of UHP in acid-hydrolysis, hydroxypropylation, acetylation, and cross-linking reactions of starch granules, as well as the physicochemical properties of UHP-assisted starch chemical derivatives, are discussed.

  10. Lipidomics applications for discovering biomarkers of diseases in clinical chemistry.

    PubMed

    Zhao, Ying-Yong; Cheng, Xian-long; Lin, Rui-Chao

    2014-01-01

    Lipids are the fundamental components of biological membranes as well as the metabolites of organisms. Lipids play diverse and important roles in biologicals. The lipid imbalance is closely associated with numerous human lifestyle-related diseases, such as atherosclerosis, obesity, diabetes, and Alzheimer's disease. Lipidomics or lipid profiling is a system-based study of all lipids aiming at comprehensive analysis of lipids in the biological system. Lipidomics has been accepted as a lipid-related research tool in lipid biochemistry, clinical biomarker discovery, disease diagnosis, and in understanding disease pathology. Lipidomics will not only provide insights into the specific functions of lipid species in health and disease, but will also identify potential biomarkers for establishing preventive or therapeutic programs for human diseases. This review presents an overview of lipidomics followed by in-depth discussion of its application to the study of human diseases, including extraction methods of lipids, analytical technologies, data analysis, and clinical research in cancer, neuropsychiatric disease, cardiovascular disease, kidney disease, and respiratory disease. We describe the current status of the identification of metabolic biomarkers in different diseases. We also discuss the lipidomics for the future perspectives and their potential problems. The application of lipidomics in clinical studies may provide new insights into lipid profiling and pathophysiological mechanisms.

  11. Amphiphile nanoarchitectonics: from basic physical chemistry to advanced applications.

    PubMed

    Ramanathan, Muruganathan; Shrestha, Lok Kumar; Mori, Taizo; Ji, Qingmin; Hill, Jonathan P; Ariga, Katsuhiko

    2013-07-14

    Amphiphiles, either synthetic or natural, are structurally simple molecules with the unprecedented capacity to self-assemble into complex, hierarchical geometries in nanospace. Effective self-assembly processes of amphiphiles are often used to mimic biological systems, such as assembly of lipids and proteins, which has paved a way for bottom-up nanotechnology with bio-like advanced functions. Recent developments in nanostructure formation combine simple processes of assembly with the more advanced concept of nanoarchitectonics. In this perspective, we summarize research on self-assembly of amphiphilic molecules such as lipids, surfactants or block copolymers that are a focus of interest for many colloid, polymer, and materials scientists and which have become increasingly important in emerging nanotechnology and practical applications, latter of which are often accomplished by amphiphile-like polymers. Because the fundamental science of amphiphiles was initially developed for their solution assembly then transferred to assemblies on surfaces as a development of nanotechnological techniques, this perspective attempts to mirror this development by introducing solution systems and progressing to interfacial systems, which are roughly categorized as (i) basic properties of amphiphiles, (ii) self-assembly of amphiphiles in bulk phases, (iii) assembly on static surfaces, (iv) assembly at dynamic interfaces, and (v) advanced topics from simulation to application. This progression also represents the evolution of amphiphile science and technology from simple assemblies to advanced assemblies to nanoarchitectonics.

  12. Chemistry and applications of flavylium compounds: a handful of colours.

    PubMed

    Pina, Fernando; Melo, Maria J; Laia, César A T; Parola, A Jorge; Lima, João C

    2012-01-21

    Flavylium compounds are versatile molecules that comprise anthocyanins, the ubiquitous colorants used by Nature to confer colour to most flowers and fruits. They have found a wide range of applications in human technology, from the millenary colour paints described by the Roman architect Vitruvius, to their use as food additives, combining colour and antioxidant effects, and even as light absorbers in solar cells aiming at a greener solar energy conversion. Their rich complexity derives in part from their ability to switch between a variety of species (flavylium cations, neutral quinoidal bases, hemiketals and chalcones, and negatively charged phenolates) by means of external stimuli, such as pH, temperature and light. This critical review describes (i) the historical advancements in the understanding of the equilibria of their chemical reaction networks; (ii) their thermodynamics and kinetics; (iii) the mechanisms underlying their colour development, such as co-pigmentation and host-guest interactions; (iv) the photophysics and photochemistry that lead to photochromism; and (v) applications in solar cells, models for optical memories, photochromic soft materials such as ionic liquids and gels, and their properties in solid state materials (274 references).

  13. Specialty fiber optic applications for harsh and high radiation environments

    NASA Astrophysics Data System (ADS)

    Risch, Brian G.

    2015-05-01

    Since the first commercial introduction in the 1980s, optical fiber technology has undergone an almost exponential growth. Currently over 2 billion fiber kilometers are deployed globally with 2014 global optical fiber production exceeding 300 million fiber kilometers. 1 Along with the staggering growth in optical fiber production and deployment, an increase in optical fiber technologies and applications has also followed. Although the main use of optical fibers by far has been for traditional data transmission and communications, numerous new applications are introduced each year. Initially the practical application of optical fibers was limited by cost and sensitivity of the optical fibers to stress, radiation, and other environmental factors. Tremendous advances have taken place in optical fiber design and materials allowing optical fibers to be deployed in increasingly harsh environments with exposure to increased mechanical and environmental stresses while maintaining high reliability. With the increased reliability, lower cost, and greatly expanded range of optical fiber types now available, new optical fiber deployments in harsh and high radiation environments is seeing a tremendous increase for data, communications, and sensing applications. An overview of key optical fiber applications in data, communications, and sensing for harsh environments in industrial, energy exploration, energy generation, energy transmission, and high radiation applications will be presented. Specific recent advances in new radiation resistant optical fiber types, other specialty optical fibers, optical fiber coatings, and optical fiber cable materials will be discussed to illustrate long term reliability for deployment of optical fibers in harsh and high radiation environments.

  14. Radiation immobilization of catalase and its application

    NASA Astrophysics Data System (ADS)

    Guanghui, Wang; Hongfei, Ha; Xia, Wang; Jilan, Wu

    Catalase was immobilized by chemical method on porous polyacrylamide particles which produced through radiation polymerization of acrylamide monomer at low temperature (-78°C). Activity of immobilized catalase was enhanced distinctly by joining a chemical "arm" to the support. The method of recovery of catalase activity on immobilized polymer was found by soaking it in certain buffer. The treatment of H 2O 2 both in aqueous solution and alcoholic solution by using the immobilized catalase was performed.

  15. Application of radiation technology in vaccines development

    PubMed Central

    2015-01-01

    One of the earliest methods used in the manufacture of stable and safe vaccines is the use of chemical and physical treatments to produce inactivated forms of pathogens. Although these types of vaccines have been successful in eliciting specific humoral immune responses to pathogen-associated immunogens, there is a large demand for the development of fast, safe, and effective vaccine manufacturing strategies. Radiation sterilization has been used to develop a variety of vaccine types, because it can eradicate chemical contaminants and penetrate pathogens to destroy nucleic acids without damaging the pathogen surface antigens. Nevertheless, irradiated vaccines have not widely been used at an industrial level because of difficulties obtaining the necessary equipment. Recent successful clinical trials of irradiated vaccines against pathogens and tumors have led to a reevaluation of radiation technology as an alternative method to produce vaccines. In the present article, we review the challenges associated with creating irradiated vaccines and discuss potential strategies for developing vaccines using radiation technology. PMID:26273573

  16. Application of the organic on water reactions to prebiotic chemistry

    NASA Astrophysics Data System (ADS)

    Kolb, Vera M.

    2012-10-01

    The old view that prebiotic reactions in water are hampered by the low solubility of the organic compounds in water is now being revised due to the discoveries of the reactions "on water". These reactions occur in the heterogeneous system comprising of the organic compounds and water. Unexpectedly, such reactions are extremely efficient; they often give quantitative yields, and are accelerated in the presence of water as compared to the organic solvents. These "on water" reactions are not the same as the "in water" reactions, which occur in solution, and are thus homogenous. Examples of the "on water" reactions include Diels-Alder, Claisen, Passerini and Ugi reactions, among many others. Some of these reactions are multicomponent, but give a single product. We survey a selected number of the "on water" reactions, which have a potential prebiotic applications.

  17. Biological applications of synchrotron radiation infrared spectromicroscopy.

    PubMed

    Marcelli, Augusto; Cricenti, Antonio; Kwiatek, Wojciech M; Petibois, Cyril

    2012-01-01

    Extremely brilliant infrared (IR) beams provided by synchrotron radiation sources are now routinely used in many facilities with available commercial spectrometers coupled to IR microscopes. Using these intense non-thermal sources, a brilliance two or three order of magnitude higher than a conventional source is achievable through small pinholes (<10 μm) with a high signal to-noise ratio. IR spectroscopy is a powerful technique to investigate biological systems and offers many new imaging opportunities. The field of infrared biological imaging covers a wide range of fundamental issues and applied researches such as cell imaging or tissue imaging. Molecular maps with a spatial resolution down to the diffraction limit may be now obtained with a synchrotron radiation IR source also on thick samples. Moreover, changes of the protein structure are detectable in an IR spectrum and cellular molecular markers can be identified and used to recognize a pathological status of a tissue. Molecular structure and functions are strongly correlated and this aspect is particularly relevant for imaging. We will show that the brilliance of synchrotron radiation IR sources may enhance the sensitivity of a molecular signal obtained from small biosamples, e.g., a single cell, containing extremely small amounts of organic matter. We will also show that SR IR sources allow to study chemical composition and to identify the distribution of organic molecules in cells at submicron resolution is possible with a high signal-to-noise ratio. Moreover, the recent availability of two-dimensional IR detectors promises to push forward imaging capabilities in the time domain. Indeed, with a high current synchrotron radiation facility and a Focal Plane Array the chemical imaging of individual cells can be obtained in a few minutes. Within this framework important results are expected in the next years using synchrotron radiation and Free Electron Laser (FEL) sources for spectro-microscopy and spectral

  18. Introducing chemical biology applications to introductory organic chemistry students using series of weekly assignments.

    PubMed

    Kanin, Maralee R; Pontrello, Jason K

    2016-01-01

    Calls to bring interdisciplinary content and examples into introductory science courses have increased, yet strategies that involve course restructuring often suffer from the need for a significant faculty commitment to motivate change. Minimizing the need for dramatic course reorganization, the structure, reactivity, and chemical biology applications of classes of biological monomers and polymers have been integrated into introductory organic chemistry courses through three series of semester-long weekly assignments that explored (a) Carbohydrates and Oligosaccharides, (b) Amino Acids, Peptides, and Proteins, and (c) Nucleosides, Nucleotides, and Nucleic Acids. Comparisons of unannounced pre- and post tests revealed improved understanding of a reaction introduced in the assignments, and course examinations evaluated cumulative assignment topics. Course surveys revealed that demonstrating biologically relevant applications consistently throughout the semesters enhanced student interest in the connection between basic organic chemistry content and its application to new and unfamiliar bio-related examples. Covering basic material related to these classes of molecules outside of the classroom opened lecture time to allow the instructor to further build on information developed through the weekly assignments, teaching advanced topics and applications typically not covered in an introductory organic chemistry lecture course. Assignments were implemented as homework, either with or without accompanying discussion, in both laboratory and lecture organic courses within the context of the existing course structures.

  19. Introducing chemical biology applications to introductory organic chemistry students using series of weekly assignments.

    PubMed

    Kanin, Maralee R; Pontrello, Jason K

    2016-01-01

    Calls to bring interdisciplinary content and examples into introductory science courses have increased, yet strategies that involve course restructuring often suffer from the need for a significant faculty commitment to motivate change. Minimizing the need for dramatic course reorganization, the structure, reactivity, and chemical biology applications of classes of biological monomers and polymers have been integrated into introductory organic chemistry courses through three series of semester-long weekly assignments that explored (a) Carbohydrates and Oligosaccharides, (b) Amino Acids, Peptides, and Proteins, and (c) Nucleosides, Nucleotides, and Nucleic Acids. Comparisons of unannounced pre- and post tests revealed improved understanding of a reaction introduced in the assignments, and course examinations evaluated cumulative assignment topics. Course surveys revealed that demonstrating biologically relevant applications consistently throughout the semesters enhanced student interest in the connection between basic organic chemistry content and its application to new and unfamiliar bio-related examples. Covering basic material related to these classes of molecules outside of the classroom opened lecture time to allow the instructor to further build on information developed through the weekly assignments, teaching advanced topics and applications typically not covered in an introductory organic chemistry lecture course. Assignments were implemented as homework, either with or without accompanying discussion, in both laboratory and lecture organic courses within the context of the existing course structures. PMID:26560414

  20. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields, volume 1

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1991-01-01

    The following subject areas are covered: the development of detailed nonequilibrium radiation models for molecules along with appropriate models for atoms; the inclusion of nongray radiation gasdynamic coupling in the VSL (Viscous Shock Layer) code; the development and evaluation of various electron-electronic energy models; and an examination of the effects of shock slip.

  1. Amphiphile nanoarchitectonics: from basic physical chemistry to advanced applications

    SciTech Connect

    Ramanathan, Nathan Muruganathan; Shrestha, Lok Kumar; Mori, Taizo; Ji, Dr. Qingmin; Hill, Dr. Jonathan P; Ariga, Katsuhiko

    2013-01-01

    Amphiphiles, either synthetic or natural, are structurally simple molecules with the unprecedented capacity to self-assemble into complex, hierarchical geometries in nanospace. Effective self-assembly processes of amphiphiles are often used to mimic biological systems, such as, assembly of lipids and proteins, which has paved a way for bottom-up nanotechnology with bio-like advanced functions. Recent developments on nanostructure formation combine simple processes of assembly with the more advanced concept of nanoarchitectonics. In this pespective, we summarize research on self-assembly of amphiphilic molecules such as lipids, surfactants or block copolymers that are a focus of interest for many colloid, polymer, and materials scientists and which have become increasingly important in emerging nanotechnology. Because the fundamental science of amphiphiles was initially developed for their solution assembly then transferred to assemblies on surfaces as a development of nanotechnological technique, this perspective attempts to mirro this development by introducing solution systems and progressing to interfacial systems, which are roughly categorized as (i) basic properties of amphiphiles, (ii) self-assembly of amphiphiles in bulk phases, (iii) assembly on static surfaces, (iv) assembly at dynamic interfaces, and (v) advanced topics from simulation to application. This progression also represents the evolution of amphiphile science and technology from simple assemblies to advanced assemblies to nanoarchitectonics.

  2. Lightning-driven inner radiation belt energy deposition into the atmosphere: implications for ionisation-levels and neutral chemistry

    NASA Astrophysics Data System (ADS)

    Rodger, C. J.; Enell, C.-F.; Turunen, E.; Clilverd, M. A.; Thomson, N. R.; Verronen, P. T.

    2007-08-01

    Lightning-generated whistlers lead to coupling between the troposphere, the Van Allen radiation belts and the lower-ionosphere through Whistler-induced electron precipitation (WEP). Lightning produced whistlers interact with cyclotron resonant radiation belt electrons, leading to pitch-angle scattering into the bounce loss cone and precipitation into the atmosphere. Here we consider the relative significance of WEP to the lower ionosphere and atmosphere by contrasting WEP produced ionisation rate changes with those from Galactic Cosmic Radiation (GCR) and solar photoionisation. During the day, WEP is never a significant source of ionisation in the lower ionosphere for any location or altitude. At nighttime, GCR is more significant than WEP at altitudes <68 km for all locations, above which WEP starts to dominate in North America and Central Europe. Between 75 and 80 km altitude WEP becomes more significant than GCR for the majority of spatial locations at which WEP deposits energy. The size of the regions in which WEP is the most important nighttime ionisation source peaks at ~80 km, depending on the relative contributions of WEP and nighttime solar Lyman-α. We also used the Sodankylä Ion Chemistry (SIC) model to consider the atmospheric consequences of WEP, focusing on a case-study period. Previous studies have also shown that energetic particle precipitation can lead to large-scale changes in the chemical makeup of the neutral atmosphere by enhancing minor chemical species that play a key role in the ozone balance of the middle atmosphere. However, SIC modelling indicates that the neutral atmospheric changes driven by WEP are insignificant due to the short timescale of the WEP bursts. Overall we find that WEP is a significant energy input into some parts of the lower ionosphere, depending on the latitude/longitude and altitude, but does not play a significant role in the neutral chemistry of the mesosphere.

  3. Production of superparamagnetic nanobiocatalysts for green chemistry applications.

    PubMed

    Gasser, Christoph A; Ammann, Erik M; Schäffer, Andreas; Shahgaldian, Patrick; Corvini, Philippe F-X

    2016-08-01

    Immobilization of enzymes on solid supports is a convenient method for increasing enzymatic stability and enabling enzyme reuse. In the present work, a sorption-assisted surface conjugation method was developed and optimized to immobilize enzymes on the surface of superparamagnetic nanoparticles. An oxidative enzyme, i.e., laccase from Trametes versicolor was used as model enzyme. The immobilization method consists of the production of superparamagnetic nanoparticles by co-precipitation of FeCl2 and FeCl3. Subsequently, the particle surface is modified with an organosilane containing an amino group. Next, the enzymes are adsorbed on the particle surface before a cross-linking agent, i.e., glutaraldehyde is added which links the amino groups on the particle surface with the amino groups of the enzymes and leads to internal cross-linking of the enzymes as well. The method was optimized using response surface methodology regarding optimal enzyme and glutaraldehyde amounts, pH, and reaction times. Results allowed formulation of biocatalysts having high specific enzymatic activity and improved stability. The biocatalysts showed considerably higher stability compared with the dissolved enzymes over a pH range from 3 to 9 and in the presence of several chemical denaturants. To demonstrate the reusability of the immobilized enzymes, they were applied as catalysts for the production of a phenoxazinone dye. Virtually, 100 % of the precursor was transformed to the dye in each of the ten conducted reaction cycles while on average 84.5 % of the enzymatic activity present at the beginning of a reaction cycle was retained after each cycle highlighting the considerable potential of superparamagnetic biocatalysts for application in industrial processes.

  4. Production of superparamagnetic nanobiocatalysts for green chemistry applications.

    PubMed

    Gasser, Christoph A; Ammann, Erik M; Schäffer, Andreas; Shahgaldian, Patrick; Corvini, Philippe F-X

    2016-08-01

    Immobilization of enzymes on solid supports is a convenient method for increasing enzymatic stability and enabling enzyme reuse. In the present work, a sorption-assisted surface conjugation method was developed and optimized to immobilize enzymes on the surface of superparamagnetic nanoparticles. An oxidative enzyme, i.e., laccase from Trametes versicolor was used as model enzyme. The immobilization method consists of the production of superparamagnetic nanoparticles by co-precipitation of FeCl2 and FeCl3. Subsequently, the particle surface is modified with an organosilane containing an amino group. Next, the enzymes are adsorbed on the particle surface before a cross-linking agent, i.e., glutaraldehyde is added which links the amino groups on the particle surface with the amino groups of the enzymes and leads to internal cross-linking of the enzymes as well. The method was optimized using response surface methodology regarding optimal enzyme and glutaraldehyde amounts, pH, and reaction times. Results allowed formulation of biocatalysts having high specific enzymatic activity and improved stability. The biocatalysts showed considerably higher stability compared with the dissolved enzymes over a pH range from 3 to 9 and in the presence of several chemical denaturants. To demonstrate the reusability of the immobilized enzymes, they were applied as catalysts for the production of a phenoxazinone dye. Virtually, 100 % of the precursor was transformed to the dye in each of the ten conducted reaction cycles while on average 84.5 % of the enzymatic activity present at the beginning of a reaction cycle was retained after each cycle highlighting the considerable potential of superparamagnetic biocatalysts for application in industrial processes. PMID:27106914

  5. Radiation dosimetry of a conformal heat-brachytherapy applicator.

    PubMed

    Taschereau, Richard; Stauffer, Paul R; Hsu, I-Chow; Schlorff, Jaime L; Milligan, Andrew J; Pouliot, Jean

    2004-08-01

    The purpose of this paper is to report the radiation dosimetric characteristics of a new combination applicator for delivering heat and radiation simultaneously to large area superficial disease <1.5 cm deep. The applicator combines an array of brachytherapy catheters (for radiation delivery) with a conformal printed circuit board microwave antenna array (for heat generation), and a body-conforming 5-10 mm thick temperature-controlled water bolus. The rationale for applying both modalities simultaneously includes the potential for significantly higher response rate due to enhanced synergism of modalities, and lower peak toxicity due to temporal extension of heat and radiation induced toxicities. Treatment plans and radiation dosimetry are calculated with IPSA (an optimization tool developed at UCSF) for 15 x 15 cm(2) and 35 x 24 cm(2) applicators, lesion thicknesses of 5 to 15 mm, flat and curved surfaces, and catheter separation of 5 and 10 mm. The effect on skin dose of bolus thickness and presence of thin copper antenna structures between radiation source and tissue are also evaluated. Results demonstrate the ability of the applicator to provide conformal radiation dose coverage for up to 15 mm deep target volumes under the applicator. For clinically acceptable plans, tumor coverage is > 98%, homogeneity index > 0.95 and the percentage of normal tissue irradiated is < 20%. The dose gradient at the skin surface varies from 3 to 5 cGy/mm depending on bolus thickness and lesion depth. Attenuation of the photon beam by the printed circuit antenna array is of the order 0.25% and secondary electron emissions are absorbed completely within 5 mm of water bolus and plastic layers. Both phenomena can then be neglected in dose calculations allowing commercial software to be used for treatment planning. This novel applicator should prove useful for the treatment of diffuse chestwall disease located over contoured anatomy that may be difficult to treat with single field

  6. Radiation dosimetry of a conformal heat-brachytherapy applicator.

    PubMed

    Taschereau, Richard; Stauffer, Paul R; Hsu, I-Chow; Schlorff, Jaime L; Milligan, Andrew J; Pouliot, Jean

    2004-08-01

    The purpose of this paper is to report the radiation dosimetric characteristics of a new combination applicator for delivering heat and radiation simultaneously to large area superficial disease <1.5 cm deep. The applicator combines an array of brachytherapy catheters (for radiation delivery) with a conformal printed circuit board microwave antenna array (for heat generation), and a body-conforming 5-10 mm thick temperature-controlled water bolus. The rationale for applying both modalities simultaneously includes the potential for significantly higher response rate due to enhanced synergism of modalities, and lower peak toxicity due to temporal extension of heat and radiation induced toxicities. Treatment plans and radiation dosimetry are calculated with IPSA (an optimization tool developed at UCSF) for 15 x 15 cm(2) and 35 x 24 cm(2) applicators, lesion thicknesses of 5 to 15 mm, flat and curved surfaces, and catheter separation of 5 and 10 mm. The effect on skin dose of bolus thickness and presence of thin copper antenna structures between radiation source and tissue are also evaluated. Results demonstrate the ability of the applicator to provide conformal radiation dose coverage for up to 15 mm deep target volumes under the applicator. For clinically acceptable plans, tumor coverage is > 98%, homogeneity index > 0.95 and the percentage of normal tissue irradiated is < 20%. The dose gradient at the skin surface varies from 3 to 5 cGy/mm depending on bolus thickness and lesion depth. Attenuation of the photon beam by the printed circuit antenna array is of the order 0.25% and secondary electron emissions are absorbed completely within 5 mm of water bolus and plastic layers. Both phenomena can then be neglected in dose calculations allowing commercial software to be used for treatment planning. This novel applicator should prove useful for the treatment of diffuse chestwall disease located over contoured anatomy that may be difficult to treat with single field

  7. Effect of Space Radiation Processing on Lunar Soil Surface Chemistry: X-Ray Photoelectron Spectroscopy Studies

    NASA Technical Reports Server (NTRS)

    Dukes, C.; Loeffler, M.J.; Baragiola, R.; Christoffersen, R.; Keller, J.

    2009-01-01

    Current understanding of the chemistry and microstructure of the surfaces of lunar soil grains is dominated by a reference frame derived mainly from electron microscopy observations [e.g. 1,2]. These studies have shown that the outermost 10-100 nm of grain surfaces in mature lunar soil finest fractions have been modified by the combined effects of solar wind exposure, surface deposition of vapors and accretion of impact melt products [1,2]. These processes produce surface-correlated nanophase Feo, host grain amorphization, formation of surface patinas and other complex changes [1,2]. What is less well understood is how these changes are reflected directly at the surface, defined as the outermost 1-5 atomic monolayers, a region not easily chemically characterized by TEM. We are currently employing X-ray Photoelectron Spectroscopy (XPS) to study the surface chemistry of lunar soil samples that have been previously studied by TEM. This work includes modification of the grain surfaces by in situ irradiation with ions at solar wind energies to better understand how irradiated surfaces in lunar grains change their chemistry once exposed to ambient conditions on earth.

  8. Modeling calcium sulfate chemistries with applications to Mars

    NASA Astrophysics Data System (ADS)

    Marion, G. M.; Catling, D. C.; Kargel, J. S.; Crowley, J. K.

    2016-11-01

    On Mars, evidence indicates widespread calcium sulfate minerals. Gypsum (CaSO4ṡ2H2O) seems to be the dominant calcium sulfate mineral in the north polar region of Mars. On the other hand, anhydrite (CaSO4) and bassanite (CaSO4ṡ0.5H2O) appear to be more common in large sedimentary deposits in the lower latitudes. The tropics are generally warmer and drier, and at least locally show evidence of acidic environments in the past. FREZCHEM is a thermodynamic modeling tool used for assessment of equilibrium involving high salinity solutions and salts, designed especially for low temperatures below 298 K (with one version adapted for temperatures up to 373 K), and we have used it to investigate many Earth, Mars, and other planetary science problems. Gypsum and anhydrite were included in earlier versions of FREZCHEM and our model Mars applications, but bassanite (the CaSO4 hemihydrate) has not previously been included. The objectives of this work are to (1) add bassanite to the FREZCHEM model, (2) examine the environments in which thermodynamic equilibrium precipitation of calcium sulfate minerals would be favored on Mars, and (3) use FREZCHEM to model situations where metastable equilibrium might be favored and promote the formation or persistence of one of these phases over the others in violation of an idealized equilibrium state. We added a bassanite equation based on high temperatures (343-373 K). A Mars simulation was based on a previously published Nasbnd Casbnd Mgsbnd Clsbnd SO4 system over the temperature range of 273 to 373 K. With declining temperatures, the first solid phase under equilibrium precipitation is anhydrite at 373 K, then gypsum forms at 319 K (46 °C), and epsomite (MgSO4ṡ7H2O) at 277 K. This sequence could reflect, for example, the precipitation sequence in a saturated solution that is slowly cooled in a deep, warm aquifer. Because FREZCHEM is based on thermodynamic equilibrium, a crude approach to problems involving metastable equilibria is

  9. 25th anniversary article: progress in chemistry and applications of functional indigos for organic electronics.

    PubMed

    Głowacki, Eric Daniel; Voss, Gundula; Sariciftci, Niyazi Serdar

    2013-12-17

    Indigo and its derivatives are dyes and pigments with a long and distinguished history in organic chemistry. Recently, applications of this 'old' structure as a functional organic building block for organic electronics applications have renewed interest in these molecules and their remarkable chemical and physical properties. Natural-origin indigos have been processed in fully bio-compatible field effect transistors, operating with ambipolar mobilities up to 0.5 cm(2) /Vs and air-stability. The synthetic derivative isoindigo has emerged as one of the most successful building-blocks for semiconducting polymers for plastic solar cells with efficiencies > 5%. Another isomer of indigo, epindolidione, has also been shown to be one of the best reported organic transistor materials in terms of mobility (∼2 cm(2) /Vs) and stability. This progress report aims to review very recent applications of indigoids in organic electronics, but especially to logically bridge together the hereto independent research directions on indigo, isoindigo, and other materials inspired by historical dye chemistry: a field which was the root of the development of modern chemistry in the first place.

  10. Usage and applications of Semantic Web techniques and technologies to support chemistry research

    PubMed Central

    2014-01-01

    Background The drug discovery process is now highly dependent on the management, curation and integration of large amounts of potentially useful data. Semantics are necessary in order to interpret the information and derive knowledge. Advances in recent years have mitigated concerns that the lack of robust, usable tools has inhibited the adoption of methodologies based on semantics. Results This paper presents three examples of how Semantic Web techniques and technologies can be used in order to support chemistry research: a controlled vocabulary for quantities, units and symbols in physical chemistry; a controlled vocabulary for the classification and labelling of chemical substances and mixtures; and, a database of chemical identifiers. This paper also presents a Web-based service that uses the datasets in order to assist with the completion of risk assessment forms, along with a discussion of the legal implications and value-proposition for the use of such a service. Conclusions We have introduced the Semantic Web concepts, technologies, and methodologies that can be used to support chemistry research, and have demonstrated the application of those techniques in three areas very relevant to modern chemistry research, generating three new datasets that we offer as exemplars of an extensible portfolio of advanced data integration facilities. We have thereby established the importance of Semantic Web techniques and technologies for meeting Wild’s fourth “grand challenge”. PMID:24855494

  11. On the Green's function of the partially diffusion-controlled reversible ABCD reaction for radiation chemistry codes

    SciTech Connect

    Plante, Ianik; Devroye, Luc

    2015-09-15

    Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well.

  12. On the Green's function of the partially diffusion-controlled reversible ABCD reaction for radiation chemistry codes

    NASA Astrophysics Data System (ADS)

    Plante, Ianik; Devroye, Luc

    2015-09-01

    Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well.

  13. Galactic cosmic radiation model and its applications

    NASA Technical Reports Server (NTRS)

    Badhwar, G. D.; O'Neill, P. M.

    1996-01-01

    A model for the differential energy spectra of galactic cosmic radiation as a function of solar activity is described. It is based on the standard diffusion-convection theory of solar modulation. Estimates of the modulation potential based on fitting this theory to observed spectral measurements from 1954 to 1989 are correlated to the Climax neutron counting rates and to the sunspot numbers at earlier times taking into account the polarity of the interplanetary magnetic field at the time of observations. These regression lines then provide a method for predicting the modulation at later times. The results of this model are quantitatively compared to a similar Moscow State University (MSU) model. These model cosmic ray spectra are used to predict the linear energy transfer spectra, differential energy spectra of light (charge less than or = 2) ions, and single event upsets rates in memeory devices. These calculations are compared to observations made aboard the Space Shuttle.

  14. Silicon radiation detectors: materials and applications

    SciTech Connect

    Walton, J.T.; Haller, E.E.

    1982-10-01

    Silicon nuclear radiation detectors are available today in a large variety of sizes and types. This profusion has been made possible by the ever increasing quality and diameter silicon single crystals, new processing technologies and techniques, and innovative detector design. The salient characteristics of the four basic detector groups, diffused junction, ion implanted, surface barrier, and lithium drift are reviewed along with the silicon crystal requirements. Results of crystal imperfections detected by lithium ion compensation are presented. Processing technologies and techniques are described. Two recent novel position-sensitive detector designs are discussed - one in high-energy particle track reconstruction and the other in x-ray angiography. The unique experimental results obtained with these devices are presented.

  15. Radiation protection and dosimetry issues in the medical applications of ionizing radiation

    NASA Astrophysics Data System (ADS)

    Vaz, Pedro

    2014-11-01

    The technological advances that occurred during the last few decades paved the way to the dissemination of CT-based procedures in radiology, to an increasing number of procedures in interventional radiology and cardiology as well as to new techniques and hybrid modalities in nuclear medicine and in radiotherapy. These technological advances encompass the exposure of patients and medical staff to unprecedentedly high dose values that are a cause for concern due to the potential detrimental effects of ionizing radiation to the human health. As a consequence, new issues and challenges in radiological protection and dosimetry in the medical applications of ionizing radiation have emerged. The scientific knowledge of the radiosensitivity of individuals as a function of age, gender and other factors has also contributed to raising the awareness of scientists, medical staff, regulators, decision makers and other stakeholders (including the patients and the public) for the need to correctly and accurately assess the radiation induced long-term health effects after medical exposure. Pediatric exposures and their late effects became a cause of great concern. The scientific communities of experts involved in the study of the biological effects of ionizing radiation have made a strong case about the need to undertake low dose radiation research and the International System of Radiological Protection is being challenged to address and incorporate issues such as the individual sensitivities, the shape of dose-response relationship and tissue sensitivity for cancer and non-cancer effects. Some of the answers to the radiation protection and dosimetry issues and challenges in the medical applications of ionizing radiation lie in computational studies using Monte Carlo or hybrid methods to model and simulate particle transport in the organs and tissues of the human body. The development of sophisticated Monte Carlo computer programs and voxel phantoms paves the way to an accurate

  16. Infrared radiation industrial application and economic benefits.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    IR heating has been accepted to be one of the important means for cooking, drying, roasting, baking, blanching and pasteurization of food and agricultural products. This chapter reviews the scientific developments in IR applications, demonstrates the status of selected industrial and pilot scale IR ...

  17. Nanoparticles-chemistry, new synthetic approaches, gas phase clustering and novel applications

    NASA Astrophysics Data System (ADS)

    Sreekumaran Nair, A.; Subramaniam, Chandramouli; Rosemary, M. J.; Tom, Renjis T.; Rajeev Kumar, V. R.; Jeba Singh, D. M. David; Cyriac, Jobin; Jain, Prashant; Kalesh, K. A.; Bhattacharya, Shreya; Pradeep, T.

    2005-10-01

    In this paper, an overview of the synthesis, chemistry and applications of nanosystems carried out in our laboratory is presented. The discussion is divided into four sections, namely (a) chemistry of nanoparticles, (b) development of new synthetic approaches, (c) gas phase clusters and (d) device structures and applications. In `chemistry of nanoparticles' we describe a novel reaction between nanoparticles of Ag and Au with halocarbons. The reactions lead to the formation of various carbonaceous materials and metal halides. In `development of new synthetic approaches' our one-pot methodologies for the synthesis of core-shell nanosystems of Au, Ag and Cu protected with TiO_2 and ZrO_2 as well as various polymers are discussed. Some results on the interaction of nanoparticles with biomolecules are also detailed in this section. The third section covers the formation of gas phase aggregates/clusters of thiol-protected sub-nanoparticles. Laser desorption of H_2MoO_4, H_2WO_4, MoS_2, and WS_2 giving novel clusters is discussed. The fourth section deals with the development of simple devices and technologies using nanomaterials described above.

  18. Simulating contemporary and preindustrial atmospheric chemistry and aerosol radiative forcing in the Southeast Pacific (Invited)

    NASA Astrophysics Data System (ADS)

    Spak, S.; Mena-Carrasco, M.; Carmichael, G. R.

    2010-12-01

    Accurately quantifying the aerosol burden and resultant radiative impacts over the Southeast Pacific presents a critical challenge in constraining the region's upper ocean heat budget and sea surface temperatures. Recent observations and preliminary modeling studies have found consistent aerosol transport above the region's extensive stratoculumus, indicating the need to consider aerosol composition and direct radiative effects in addition to indirect effects on clouds. We simulate regional chemical transport of aerosols and trace gases during VOCALS REx, identifying contributions from coastal anthropogenic emissions, biogenic emissions, biomass burning, and long-range transport to aerosol mass and composition. We evaluate a new emissions inventory through comparison with in-situ observations. Spatial and temporal variability in transport from these varied emissions sources provide insights into land-ocean-atmosphere coupling. We will compare aerosol radiative forcing under present day and preindustrial emissions rates.

  19. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields, volume 3

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1991-01-01

    The computer programs developed to calculate the shock wave precursor and the method of using them are described. This method calculated the precursor flow field in a nitrogen gas including the effects of emission and absorption of radiation on the energy and composition of gas. The radiative transfer is calculated including the effects of absorption and emission through the line as well as the continuum process in the shock layer and through the continuum processes only in the precursor. The effects of local thermodynamic nonequilibrium in the shock layer and precursor regions are also included in the radiative transfer calculations. Three computer programs utilized by this computational scheme to calculate the precursor flow field solution for a given shock layer flow field are discussed.

  20. Simulating chemistry-aerosol-cloud-radiation-climate feedbacks over the continental U.S. using the online-coupled Weather Research Forecasting Model with chemistry (WRF/Chem)

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Wen, X.-Y.; Jang, C. J.

    2010-09-01

    The chemistry-aerosol-cloud-radiation-climate feedbacks are simulated using WRF/Chem over the continental U.S. in January and July 2001. Aerosols can reduce incoming solar radiation by up to -9% in January and -16% in July and 2-m temperatures by up to 0.16 °C in January and 0.37 °C in July over most of the continental U.S. The NO 2 photolysis rates decrease in July by up to -8% over the central and eastern U.S. where aerosol concentrations are high but increase by up to 7% over the western U.S. in July and up to 13% over the entire domain in January. Planetary boundary layer (PBL) height reduces by up to -23% in January and -24% in July. Temperatures and wind speeds in July in big cities such as Atlanta and New York City reduce at/near surface but increase at higher altitudes. The changes in PBL height, temperatures, and wind speed indicate a more stable atmospheric stability of the PBL and further exacerbate air pollution over areas where air pollution is already severe. Aerosols can increase cloud optical depths in big cities in July, and can lead to 500-5000 cm -3 cloud condensation nuclei (CCN) at a supersaturation of 1% over most land areas and 10-500 cm -3 CCN over ocean in both months with higher values over most areas in July than in January, particularly in the eastern U.S. The total column cloud droplet number concentrations are up to 4.9 × 10 6 cm -2 in January and up to 11.8 × 10 6 cm -2 in July, with higher values over regions with high CCN concentrations and sufficient cloud coverage. Aerosols can reduce daily precipitation by up to 1.1 mm day -1 in January and 19.4 mm day -1 in July thus the wet removal rates over most of the land areas due to the formation of small CCNs, but they can increase precipitation over regions with the formation of large/giant CCN. These results indicate potential importance of the aerosol feedbacks and an urgent need for their accurate representations in current atmospheric models to reduce uncertainties associated

  1. Combinatorial computational chemistry approach for materials design: applications in deNOx catalysis, Fischer-Tropsch synthesis, lanthanoid complex, and lithium ion secondary battery.

    PubMed

    Koyama, Michihisa; Tsuboi, Hideyuki; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A; Miyamoto, Akira

    2007-02-01

    Computational chemistry can provide fundamental knowledge regarding various aspects of materials. While its impact in scientific research is greatly increasing, its contributions to industrially important issues are far from satisfactory. In order to realize industrial innovation by computational chemistry, a new concept "combinatorial computational chemistry" has been proposed by introducing the concept of combinatorial chemistry to computational chemistry. This combinatorial computational chemistry approach enables theoretical high-throughput screening for materials design. In this manuscript, we review the successful applications of combinatorial computational chemistry to deNO(x) catalysts, Fischer-Tropsch catalysts, lanthanoid complex catalysts, and cathodes of the lithium ion secondary battery.

  2. Applications of quantum chemistry to gas and solid phase reaction kinetics

    NASA Astrophysics Data System (ADS)

    Senosiain, Juan Pablo

    Chemical kinetics has nourished from the achievements of computational quantum chemistry as perhaps no other field. This thesis illustrates the application of first-principles calculations to elucidate complex reaction mechanisms, and to quantitatively simulate reaction rates. The work embodied in this dissertation encompasses several projects with very diverse applications. In some cases, quantum chemistry calculations have been used for predicting reaction rates, while in others they are used in a semi-qualitative manner to elucidate complex reaction mechanisms. The first two chapters of this dissertation explain some key theoretical concepts of quantum chemistry and chemical kinetics. They are not intended to be exhaustive or detailed, but rather to illustrate general principles that are applied in the subsequent chapters. Chapter three reviews the disperse literature on the statistical treatment of internal rotors and provides a comparison of commonly used approximations. Chapters four through six cover three areas of special interest to gas-phase kinetics: bond dissociation energies, transition state theory and unimolecular reactions, with particular emphasis on combustion and atmospheric chemistry applications. A critical assessment of reaction barriers and bond dissociation energies calculated with several ab initio methods in common use is provided in chapters four and five, respectively. Chapters seven and eight illustrate how quantum chemistry can be used to decipher complex reaction mechanisms, with applications to current and future problems in semiconductor processing. The former studies the mechanisms of boron diffusion through thin gate oxide layers in metal oxide field effect transistors (MOSFETs). The latter investigates the details of atomic layer deposition (ALD) reactions on germanium and silicon-germanium alloys. Both of these studies are motivated by the miniaturization trend in gate oxide layers in MOSFET devices. As the device feature size

  3. The application of click chemistry in the synthesis of agents with anticancer activity

    PubMed Central

    Ma, Nan; Wang, Ying; Zhao, Bing-Xin; Ye, Wen-Cai; Jiang, Sheng

    2015-01-01

    The copper(I)-catalyzed 1,3-dipolar cycloaddition between alkynes and azides (click chemistry) to form 1,2,3-triazoles is the most popular reaction due to its reliability, specificity, and biocompatibility. This reaction has the potential to shorten procedures, and render more efficient lead identification and optimization procedures in medicinal chemistry, which is a powerful modular synthetic approach toward the assembly of new molecular entities and has been applied in anticancer drugs discovery increasingly. The present review focuses mainly on the applications of this reaction in the field of synthesis of agents with anticancer activity, which are divided into four groups: topoisomerase II inhibitors, histone deacetylase inhibitors, protein tyrosine kinase inhibitors, and antimicrotubule agents. PMID:25792812

  4. The application of click chemistry in the synthesis of agents with anticancer activity.

    PubMed

    Ma, Nan; Wang, Ying; Zhao, Bing-Xin; Ye, Wen-Cai; Jiang, Sheng

    2015-01-01

    The copper(I)-catalyzed 1,3-dipolar cycloaddition between alkynes and azides (click chemistry) to form 1,2,3-triazoles is the most popular reaction due to its reliability, specificity, and biocompatibility. This reaction has the potential to shorten procedures, and render more efficient lead identification and optimization procedures in medicinal chemistry, which is a powerful modular synthetic approach toward the assembly of new molecular entities and has been applied in anticancer drugs discovery increasingly. The present review focuses mainly on the applications of this reaction in the field of synthesis of agents with anticancer activity, which are divided into four groups: topoisomerase II inhibitors, histone deacetylase inhibitors, protein tyrosine kinase inhibitors, and antimicrotubule agents.

  5. PMMA/MWCNT nanocomposite for proton radiation shielding applications.

    PubMed

    Li, Zhenhao; Chen, Siyuan; Nambiar, Shruti; Sun, Yonghai; Zhang, Mingyu; Zheng, Wanping; Yeow, John T W

    2016-06-10

    Radiation shielding in space missions is critical in order to protect astronauts, spacecraft and payloads from radiation damage. Low atomic-number materials are efficient in shielding particle-radiation, but they have relatively weak material properties compared to alloys that are widely used in space applications as structural materials. However, the issues related to weight and the secondary radiation generation make alloys not suitable for space radiation shielding. Polymers, on the other hand, can be filled with different filler materials for reinforcement of material properties, while at the same time provide sufficient radiation shielding function with lower weight and less secondary radiation generation. In this study, poly(methyl-methacrylate)/multi-walled carbon nanotube (PMMA/MWCNT) nanocomposite was fabricated. The role of MWCNTs embedded in PMMA matrix, in terms of radiation shielding effectiveness, was experimentally evaluated by comparing the proton transmission properties and secondary neutron generation of the PMMA/MWCNT nanocomposite with pure PMMA and aluminum. The results showed that the addition of MWCNTs in PMMA matrix can further reduce the secondary neutron generation of the pure polymer, while no obvious change was found in the proton transmission property. On the other hand, both the pure PMMA and the nanocomposite were 18%-19% lighter in weight than aluminum for stopping the protons with the same energy and generated up to 5% fewer secondary neutrons. Furthermore, the use of MWCNTs showed enhanced thermal stability over the pure polymer, and thus the overall reinforcement effects make MWCNT an effective filler material for applications in the space industry. PMID:27125319

  6. PMMA/MWCNT nanocomposite for proton radiation shielding applications

    NASA Astrophysics Data System (ADS)

    Li, Zhenhao; Chen, Siyuan; Nambiar, Shruti; Sun, Yonghai; Zhang, Mingyu; Zheng, Wanping; Yeow, John T. W.

    2016-06-01

    Radiation shielding in space missions is critical in order to protect astronauts, spacecraft and payloads from radiation damage. Low atomic-number materials are efficient in shielding particle-radiation, but they have relatively weak material properties compared to alloys that are widely used in space applications as structural materials. However, the issues related to weight and the secondary radiation generation make alloys not suitable for space radiation shielding. Polymers, on the other hand, can be filled with different filler materials for reinforcement of material properties, while at the same time provide sufficient radiation shielding function with lower weight and less secondary radiation generation. In this study, poly(methyl-methacrylate)/multi-walled carbon nanotube (PMMA/MWCNT) nanocomposite was fabricated. The role of MWCNTs embedded in PMMA matrix, in terms of radiation shielding effectiveness, was experimentally evaluated by comparing the proton transmission properties and secondary neutron generation of the PMMA/MWCNT nanocomposite with pure PMMA and aluminum. The results showed that the addition of MWCNTs in PMMA matrix can further reduce the secondary neutron generation of the pure polymer, while no obvious change was found in the proton transmission property. On the other hand, both the pure PMMA and the nanocomposite were 18%-19% lighter in weight than aluminum for stopping the protons with the same energy and generated up to 5% fewer secondary neutrons. Furthermore, the use of MWCNTs showed enhanced thermal stability over the pure polymer, and thus the overall reinforcement effects make MWCNT an effective filler material for applications in the space industry.

  7. PMMA/MWCNT nanocomposite for proton radiation shielding applications

    NASA Astrophysics Data System (ADS)

    Li, Zhenhao; Chen, Siyuan; Nambiar, Shruti; Sun, Yonghai; Zhang, Mingyu; Zheng, Wanping; Yeow, John T. W.

    2016-06-01

    Radiation shielding in space missions is critical in order to protect astronauts, spacecraft and payloads from radiation damage. Low atomic-number materials are efficient in shielding particle-radiation, but they have relatively weak material properties compared to alloys that are widely used in space applications as structural materials. However, the issues related to weight and the secondary radiation generation make alloys not suitable for space radiation shielding. Polymers, on the other hand, can be filled with different filler materials for reinforcement of material properties, while at the same time provide sufficient radiation shielding function with lower weight and less secondary radiation generation. In this study, poly(methyl-methacrylate)/multi-walled carbon nanotube (PMMA/MWCNT) nanocomposite was fabricated. The role of MWCNTs embedded in PMMA matrix, in terms of radiation shielding effectiveness, was experimentally evaluated by comparing the proton transmission properties and secondary neutron generation of the PMMA/MWCNT nanocomposite with pure PMMA and aluminum. The results showed that the addition of MWCNTs in PMMA matrix can further reduce the secondary neutron generation of the pure polymer, while no obvious change was found in the proton transmission property. On the other hand, both the pure PMMA and the nanocomposite were 18%–19% lighter in weight than aluminum for stopping the protons with the same energy and generated up to 5% fewer secondary neutrons. Furthermore, the use of MWCNTs showed enhanced thermal stability over the pure polymer, and thus the overall reinforcement effects make MWCNT an effective filler material for applications in the space industry.

  8. Tropospheric Ozone Changes, Radiative Forcing and Attribution to Emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

    NASA Technical Reports Server (NTRS)

    Stevenson, D.S.; Young, P.J.; Naik, V.; Lamarque, J.-F.; Shindell, D. T.; Voulgarakis, A.; Skeie, R. B.; Dalsoren, S. B.; Myhre, G.; Berntsen, T. K.; Folberth, G. A.; Rumbold, S. T.; Collins, W. J.; MacKenzie, I. A.; Doherty, R. M.; Zeng, G.; vanNoije, T. P. C.; Strunk, A.; Bergmann, D.; Cameron-Smith, P.; Plummer, D. A.; Strode, S. A.; Horowitz, L.; Lee, Y. H.; Szopa, S.; Sudo, K.; Nagashima, T.; Josse, B.; Cionni, I.; Righi, M.; Eyring, V.; Conley, A.; Bowman, K. W.; Wild, O.; Archibald, A.

    2013-01-01

    Ozone (O3) from 17 atmospheric chemistry models taking part in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) has been used to calculate tropospheric ozone radiative forcings (RFs). All models applied a common set of anthropogenic emissions, which are better constrained for the present-day than the past. Future anthropogenic emissions follow the four Representative Concentration Pathway (RCP) scenarios, which define a relatively narrow range of possible air pollution emissions. We calculate a value for the pre-industrial (1750) to present-day (2010) tropospheric ozone RF of 410 mW m-2. The model range of pre-industrial to present-day changes in O3 produces a spread (+/-1 standard deviation) in RFs of +/-17%. Three different radiation schemes were used - we find differences in RFs between schemes (for the same ozone fields) of +/-10 percent. Applying two different tropopause definitions gives differences in RFs of +/-3 percent. Given additional (unquantified) uncertainties associated with emissions, climate-chemistry interactions and land-use change, we estimate an overall uncertainty of +/-30 percent for the tropospheric ozone RF. Experiments carried out by a subset of six models attribute tropospheric ozone RF to increased emissions of methane (44+/-12 percent), nitrogen oxides (31 +/- 9 percent), carbon monoxide (15 +/- 3 percent) and non-methane volatile organic compounds (9 +/- 2 percent); earlier studies attributed more of the tropospheric ozone RF to methane and less to nitrogen oxides. Normalising RFs to changes in tropospheric column ozone, we find a global mean normalised RF of 42 mW m(-2) DU(-1), a value similar to previous work. Using normalised RFs and future tropospheric column ozone projections we calculate future tropospheric ozone RFs (mW m(-2); relative to 1750) for the four future scenarios (RCP2.6, RCP4.5, RCP6.0 and RCP8.5) of 350, 420, 370 and 460 (in 2030), and 200, 300, 280 and 600 (in 2100). Models show some

  9. Tropospheric ozone changes, radiative forcing and attribution to emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

    NASA Astrophysics Data System (ADS)

    Stevenson, D. S.; Young, P. J.; Naik, V.; Lamarque, J.-F.; Shindell, D. T.; Voulgarakis, A.; Skeie, R. B.; Dalsoren, S. B.; Myhre, G.; Berntsen, T. K.; Folberth, G. A.; Rumbold, S. T.; Collins, W. J.; MacKenzie, I. A.; Doherty, R. M.; Zeng, G.; van Noije, T. P. C.; Strunk, A.; Bergmann, D.; Cameron-Smith, P.; Plummer, D. A.; Strode, S. A.; Horowitz, L.; Lee, Y. H.; Szopa, S.; Sudo, K.; Nagashima, T.; Josse, B.; Cionni, I.; Righi, M.; Eyring, V.; Conley, A.; Bowman, K. W.; Wild, O.; Archibald, A.

    2013-03-01

    Ozone (O3) from 17 atmospheric chemistry models taking part in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) has been used to calculate tropospheric ozone radiative forcings (RFs). All models applied a common set of anthropogenic emissions, which are better constrained for the present-day than the past. Future anthropogenic emissions follow the four Representative Concentration Pathway (RCP) scenarios, which define a relatively narrow range of possible air pollution emissions. We calculate a value for the pre-industrial (1750) to present-day (2010) tropospheric ozone RF of 410 mW m-2. The model range of pre-industrial to present-day changes in O3 produces a spread (±1 standard deviation) in RFs of ±17%. Three different radiation schemes were used - we find differences in RFs between schemes (for the same ozone fields) of ±10%. Applying two different tropopause definitions gives differences in RFs of ±3%. Given additional (unquantified) uncertainties associated with emissions, climate-chemistry interactions and land-use change, we estimate an overall uncertainty of ±30% for the tropospheric ozone RF. Experiments carried out by a subset of six models attribute tropospheric ozone RF to increased emissions of methane (44±12%), nitrogen oxides (31 ± 9%), carbon monoxide (15 ± 3%) and non-methane volatile organic compounds (9 ± 2%); earlier studies attributed more of the tropospheric ozone RF to methane and less to nitrogen oxides. Normalising RFs to changes in tropospheric column ozone, we find a global mean normalised RF of 42 mW m-2 DU-1, a value similar to previous work. Using normalised RFs and future tropospheric column ozone projections we calculate future tropospheric ozone RFs (mW m-2; relative to 1750) for the four future scenarios (RCP2.6, RCP4.5, RCP6.0 and RCP8.5) of 350, 420, 370 and 460 (in 2030), and 200, 300, 280 and 600 (in 2100). Models show some coherent responses of ozone to climate change: decreases in the

  10. Assessing application vulnerability to radiation-induced SEUs in memory

    NASA Technical Reports Server (NTRS)

    Springer, P. L.

    2001-01-01

    One of the goals of the Remote Exploration and Experimentation (REE) project at JPL is to determine how vulnerable applications are to single event upsets (SEUs) when run in low radiation space environments using commercial-off-the-shelf (COTS) components.

  11. Theoretical investigation of non-equilibrium chemistry and optical radiation in hypersonic flow fields

    NASA Technical Reports Server (NTRS)

    Whiting, Ellis E.

    1990-01-01

    Future space vehicles returning from distant missions or high earth orbits may enter the upper regions of the atmosphere and use aerodynamic drag to reduce their velocity before they skip out of the atmosphere and enter low earth orbit. The Aeroassist Flight Experiment (AFE) is designed to explore the special problems encountered in such entries. A computer code was developed to calculate the radiative transport along line-or-sight in the general 3-D flow field about an arbitrary entry vehicle, if the temperatures and species concentrations along the line-of-sight are known. The radiative heating calculation at the stagnation point of the AFE vehicle along the entry trajectory was performed, including a detailed line-by-line accounting of the radiative transport in the vacuum ultraviolet (below 200 nm) by the atomic N and O lines. A method was developed for making measurements of the haze particles in the Titan atmosphere above 200 km altitude. Several other tasks of a continuing nature, to improve the technical ability to calculate the nonequilibrium gas dynamic flow field and radiative heating of entry vehicles, were completed or advanced.

  12. The Radiative Decay of Green and Red Photoluminescent Phosphors: An Undergraduate Kinetics Experiment for Materials Chemistry

    ERIC Educational Resources Information Center

    Esposti, C. Degli; Bizzocchi, L.

    2008-01-01

    This article describes a laboratory experiment that allows the students to investigate the radiative properties of the green and red emitting phosphors that are employed in commercial fluorescent lamps. Making use of a spectrofluorometer, students first record the emission spectrum of a fluorescent lamp under normal operating conditions, and then…

  13. Uncertainties in water chemistry in disks: An application to TW Hydrae

    NASA Astrophysics Data System (ADS)

    Kamp, I.; Thi, W.-F.; Meeus, G.; Woitke, P.; Pinte, C.; Meijerink, R.; Spaans, M.; Pascucci, I.; Aresu, G.; Dent, W. R. F.

    2013-11-01

    Context. This paper discusses the sensitivity of water lines to chemical processes and radiative transfer for the protoplanetary disk around TW Hya. The study focuses on the Herschel spectral range in the context of new line detections with the PACS instrument from the Gas in Protoplanetary Systems project (GASPS). Aims: The paper presents an overview of the chemistry in the main water reservoirs in the disk around TW Hya. It discusses the limitations in the interpretation of observed water line fluxes. Methods: We use a previously published thermo-chemical Protoplanetary Disk Model (ProDiMo) of the disk around TW Hya and study a range of chemical modeling uncertainties: metallicity, C/O ratio, and reaction pathways and rates leading to the formation of water. We provide results for the simplified assumption of Tgas = Tdust to quantify uncertainties arising for the complex heating/cooling processes of the gas and elaborate on limitations due to water line radiative transfer. Results: We report new line detections of p-H2O (322-211) at 89.99 μm and CO J = 18-17 at 144.78 μm for the disk around TW Hya. Disk modeling shows that the far-IR fine structure lines ([O i], [C ii]) and molecular submm lines are very robust to uncertainties in the chemistry, while the water line fluxes can change by factors of a few. The water lines are optically thick, sub-thermally excited and can couple to the background continuum radiation field. The low-excitation water lines are also sensitive to uncertainties in the collision rates, e.g. with neutral hydrogen. The gas temperature plays an important role for the [O i] fine structure line fluxes, the water line fluxes originating from the inner disk as well as the high excitation CO, CH+ and OH lines. Conclusions: Due to their sensitivity on chemical input data and radiative transfer, water lines have to be used cautiously for understanding details of the disk structure. Water lines covering a wide range of excitation energies provide

  14. Impact of Climate Change on Soil and Groundwater Chemistry Subject to Process Waste Land Application

    NASA Astrophysics Data System (ADS)

    McNab, W. W.

    2013-12-01

    Nonhazardous aqueous process waste streams from food and beverage industry operations are often discharged via managed land application in a manner designed to minimize impacts to underlying groundwater. Process waste streams are typically characterized by elevated concentrations of solutes such as ammonium, organic nitrogen, potassium, sodium, and organic acids. Land application involves the mixing of process waste streams with irrigation water which is subsequently applied to crops. The combination of evapotranspiration and crop salt uptake reduces the downward mass fluxes of percolation water and salts. By carefully managing application schedules in the context of annual climatological cycles, growing seasons, and process requirements, potential adverse environmental impacts to groundwater can be mitigated. However, climate change poses challenges to future process waste land application efforts because the key factors that determine loading rates - temperature, evapotranspiration, seasonal changes in the quality and quantity of applied water, and various crop factors - are all likely to deviate from current averages. To assess the potential impact of future climate change on the practice of land application, coupled process modeling entailing transient unsaturated fluid flow, evapotranspiration, crop salt uptake, and multispecies reactive chemical transport was used to predict changes in salt loading if current practices are maintained in a warmer, drier setting. As a first step, a coupled process model (Hydrus-1D, combined with PHREEQC) was calibrated to existing data sets which summarize land application loading rates, soil water chemistry, and crop salt uptake for land disposal of process wastes from a food industry facility in the northern San Joaquin Valley of California. Model results quantify, for example, the impacts of evapotranspiration on both fluid flow and soil water chemistry at shallow depths, with secondary effects including carbonate mineral

  15. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields, volume 2

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1991-01-01

    A technique was developed for predicting the character and magnitude of the shock wave precursor ahead of an entry vehicle and the effect of this precursor on the vehicle flow field was ascertained. A computational method and program were developed to properly model this precursor. Expressions were developed for the mass production rates of each species due to photodissociation and photoionization reactions. Also, consideration was given to the absorption and emission of radiation and how it affects the energy in each of the energy modes of both the atomic and diatomic species. A series of parametric studies were conducted covering a range of entry conditions in order to predict the effects of the precursor on the shock layer and the radiative heat transfer to the body.

  16. Radiation chemistry in the reprocessing and recycling of spent nuclear fuels

    SciTech Connect

    Bruce J. Mincher

    2015-04-01

    The interaction of ionizing radiation with solvent extraction solutions results in the ionization, excitation, and decay to neutral radicals of mainly diluent molecules. These produced reactive species diffuse into the bulk solution to react with solvent extraction ligands. Ligand reactions often result in deleterious effects such as loss in ligand concentration or the production of decomposition products that may also be complexing agents. This often interferes with desired separations. The common radiolysis reactions and their potential effects on solvent extraction are reviewed here.

  17. Radiation processing applications in the Czechoslovak water treatment technologies

    NASA Astrophysics Data System (ADS)

    Vacek, K.; Pastuszek, F.; Sedláček, M.

    The regeneration of biologically clogged water wells by radiation proved to be a successful and economically beneficial process among other promising applications of ionizing radiation in the water supply technology. The application conditions and experience are mentioned. The potential pathogenic Mycobacteria occuring in the warm washing and bathing water are resistant against usual chlorine and ozone concentrations. The radiation sensitivity of Mycobacteria allowed to suggest a device for their destroying by radiation. Some toxic substances in the underground water can be efficiently degraded by gamma radiation directly in the wells drilled as a hydraulic barrier surrounding the contaminated land area. Substantial decrease of CN - concentration and C.O.D. value was observed in water pumped from such well equipped with cobalt sources and charcoal. The removing of pathogenic contamination remains to be the main goal of radiation processing in the water purification technologies. The decrease of liquid sludge specific filter resistance and sedimentation acceleration by irradiation have a minor technological importance. The hygienization of sludge cake from the mechanical belt filter press by electron beam appears to be the optimum application in the Czechoslovak conditions. The potatoes and barley crop yields from experimental plots treated with sludge were higher in comparison with using the manure. Biological sludge from the municipal and food industry water purification plants contains nutritive components. The proper hygienization is a necessary condition for using them as a livestock feed supplement. Feeding experiments with broilers and pigs confirmed the possibility of partial (e.g. 50%) replacement of soya-, bone- or fish flour in feed mixtures by dried sludge hygienized either by heat or by the irradiation.

  18. Radiative shocks and nonequilibrium chemistry in the early universe - Galaxy and primordial star formation

    NASA Technical Reports Server (NTRS)

    Shapiro, Paul R.; Kang, Hyesung

    1990-01-01

    The nonequilibrium radiative cooling, recombination, and molecule formation behind steady-state shock waves in primordial composition gas is studied. The hydrodynamical conservation equations are solved as well as equations for nonequilibrium ionization, recombination, and molecule formation and the equation of radiative transfer. The shocked gas is found to cool faster than it can recombine; as a result it is able to form an H2 concentration as high as 0.001 or higher via the formation of H(-) and H2(+) intermediaries due to the enhanced nonequilibrium ionization at 10,000 K. With such an H2 concentration, the gas cools by rotational-vibrational line excitation of H2 molecules to well below the canonical final temperature of 10,000 K for a molecule-free gas without metals. It is shown that, as the level of external ionizing and dissociating radiation flux is increased, the formation of and cooling by H2 molecules can be inhibited and delayed.

  19. Applications of Click Chemistry Reactions to the Synthesis of Functional Materials

    NASA Astrophysics Data System (ADS)

    Accurso, Adrian A.

    This body of work focuses on the production of functional materials using the most reliable carbon-hetoratom bond-forming processes available, which are widely termed "click chemistry" reactions in the literature. This focus on function is enabled by a basis in synthetic chemistry, and where appropriate, brings in techniques from the related fields of materials science and biology to address current needs in those areas. Chapter 1 concerns the in situ production of azide and alkyne-based click chemistry adhesive polymers. Screening of a library of multivalent azides and alkynes was accomplished on a custom-built highthroughput instrument and followed up on a lap-shear testing apparatus. The conductivity of composites made of the adhesive was also explored according to standard methods. The second and third chapters explore the synthesis and function of a family of related [3.3.1]-bicyclononane dichlorides, which we have termed "WCL" electrophiles, and their potential applications for surface functionalization, the synthesis of polycations, and candidate membrane disruptive compounds. The rates of consumption of dichlorides and hydrolysis of model compounds were also explored using NMR, GC-MS, and HPLC-based methods.

  20. Radiative Effect of Clouds on Tropospheric Chemistry in a Global Three-Dimensional Chemical Transport Model

    NASA Technical Reports Server (NTRS)

    Liu, Hongyu; Crawford, James H.; Pierce, Robert B.; Norris, Peter; Platnick, Steven E.; Chen, Gao; Logan, Jennifer A.; Yantosca, Robert M.; Evans, Mat J.; Kittaka, Chieko; Feng, Yan; Tie, Xuexi

    2006-01-01

    Clouds exert an important influence on tropospheric photochemistry through modification of solar radiation that determines photolysis frequencies (J-values). We assess the radiative effect of clouds on photolysis frequencies and key oxidants in the troposphere with a global three-dimensional (3-D) chemical transport model (GEOS-CHEM) driven by assimilated meteorological observations from the Goddard Earth Observing System data assimilation system (GEOS DAS) at the NASA Global Modeling and Assimilation Office (GMAO). We focus on the year of 2001 with the GEOS-3 meteorological observations. Photolysis frequencies are calculated using the Fast-J radiative transfer algorithm. The GEOS-3 global cloud optical depth and cloud fraction are evaluated and generally consistent with the satellite retrieval products from the Moderate Resolution Imaging Spectroradiometer (MODIS) and the International Satellite Cloud Climatology Project (ISCCP). Results using the linear assumption, which assumes linear scaling of cloud optical depth with cloud fraction in a grid box, show global mean OH concentrations generally increase by less than 6% because of the radiative effect of clouds. The OH distribution shows much larger changes (with maximum decrease of approx.20% near the surface), reflecting the opposite effects of enhanced (weakened) photochemistry above (below) clouds. The global mean photolysis frequencies for J[O1D] and J[NO2] in the troposphere change by less than 5% because of clouds; global mean O3 concentrations in the troposphere increase by less than 5%. This study shows tropical upper tropospheric O3 to be less sensitive to the radiative effect of clouds than previously reported (approx.5% versus approx.20-30%). These results emphasize that the dominant effect of clouds is to influence the vertical redistribution of the intensity of photochemical activity while global average effects remain modest, again contrasting with previous studies. Differing vertical distributions

  1. Using Mathematical Software to Introduce Fourier Transforms in Physical Chemistry to Develop Improved Understanding of Their Applications in Analytical Chemistry

    ERIC Educational Resources Information Center

    Miller, Tierney C.; Richardson, John N.; Kegerreis, Jeb S.

    2016-01-01

    This manuscript presents an exercise that utilizes mathematical software to explore Fourier transforms in the context of model quantum mechanical systems, thus providing a deeper mathematical understanding of relevant information often introduced and treated as a "black-box" in analytical chemistry courses. The exercise is given to…

  2. Can a coupled meteorology-chemistry model reproduce the historical trend in aerosol direct radiative effects over the Northern Hemisphere?

    NASA Astrophysics Data System (ADS)

    Xing, J.; Mathur, R.; Pleim, J.; Hogrefe, C.; Gan, C.-M.; Wong, D. C.; Wei, C.

    2015-09-01

    The ability of a coupled meteorology-chemistry model, i.e., Weather Research and Forecast and Community Multiscale Air Quality (WRF-CMAQ), to reproduce the historical trend in aerosol optical depth (AOD) and clear-sky shortwave radiation (SWR) over the Northern Hemisphere has been evaluated through a comparison of 21-year simulated results with observation-derived records from 1990 to 2010. Six satellite-retrieved AOD products including AVHRR, TOMS, SeaWiFS, MISR, MODIS-Terra and MODIS-Aqua as well as long-term historical records from 11 AERONET sites were used for the comparison of AOD trends. Clear-sky SWR products derived by CERES at both the top of atmosphere (TOA) and surface as well as surface SWR data derived from seven SURFRAD sites were used for the comparison of trends in SWR. The model successfully captured increasing AOD trends along with the corresponding increased TOA SWR (upwelling) and decreased surface SWR (downwelling) in both eastern China and the northern Pacific. The model also captured declining AOD trends along with the corresponding decreased TOA SWR (upwelling) and increased surface SWR (downwelling) in the eastern US, Europe and the northern Atlantic for the period of 2000-2010. However, the model underestimated the AOD over regions with substantial natural dust aerosol contributions, such as the Sahara Desert, Arabian Desert, central Atlantic and northern Indian Ocean. Estimates of the aerosol direct radiative effect (DRE) at TOA are comparable with those derived by measurements. Compared to global climate models (GCMs), the model exhibits better estimates of surface-aerosol direct radiative efficiency (Eτ). However, surface-DRE tends to be underestimated due to the underestimated AOD in land and dust regions. Further investigation of TOA-Eτ estimations as well as the dust module used for estimates of windblown-dust emissions is needed.

  3. Radiation applications research and facilities in AECL research company

    NASA Astrophysics Data System (ADS)

    Iverson, S. L.

    In the 60's and 70's Atomic Energy of Canada had a very active R&D program to discover and develop applications of ionizing radiation. Out of this grew the technology underlying the company's current product line of industrial irradiators. With the commercial success of that product line the company turned its R&D attention to other activities. Presently, widespread interest in the use of radiation for food processing and the possibility of developing reliable and competitive machine sources of radiation hold out the promise of a major increase in industrial use of radiation. While many of the applications being considered are straightforward applications of existing knowledge, others depend on more subtle effects including combined effects of two or more agents. Further research is required in these areas. In March 1985 a new branch, Radiation Applications Research, began operations with the objective of working closely with industry to develop and assist the introduction of new uses of ionizing radiation. The Branch is equipped with appropriate analytical equipment including HPLC (high performance liquid chromatograph) and GC/MS (gas chromatograph/mass spectrometer) as well as a Gammacell 220 and an I-10/1, one kilowatt 10 MeV electron accelerator. The accelerator is located in a specially designed facility equipped for experimental irradiation of test quantities of packaged products as well as solids, liquids and gases in various configurations. A conveyor system moves the packaged products from the receiving area, through a maze, past the electron beam at a controlled rate and finally to the shipping area. Other necessary capabilities, such as gamma and electron dosimetry and a microbiology laboratory, have also been developed. Initial projects in areas ranging from food through environmental and industrial applications have been assessed and the most promising have been selected for further work. As an example, the use of charcoal adsorbent beds to concentrate

  4. Graphene-based materials: fabrication and application for adsorption in analytical chemistry.

    PubMed

    Wang, Xin; Liu, Bo; Lu, Qipeng; Qu, Qishu

    2014-10-01

    Graphene, a single layer of carbon atoms densely packed into a honeycomb crystal lattice with unique electronic, chemical, and mechanical properties, is the 2D allotrope of carbon. Owing to the remarkable properties, graphene and graphene-based materials are likely to find potential applications as a sorbent in analytical chemistry. The current review focuses predominantly on the recent development of graphene-based materials and demonstrates their enhanced performance in adsorption of organic compounds, metal ions, and solid phase extraction as well as in separation science since mostly 2012.

  5. Evolution of ozone, particulates, and aerosol direct radiative forcing in the vicinity of Houston using a fully coupled meteorology-chemistry-aerosol model

    NASA Astrophysics Data System (ADS)

    Fast, Jerome D.; Gustafson, William I.; Easter, Richard C.; Zaveri, Rahul A.; Barnard, James C.; Chapman, Elaine G.; Grell, Georg A.; Peckham, Steven E.

    2006-11-01

    A new fully coupled meteorology-chemistry-aerosol model is used to simulate the urban- to regional-scale variations in trace gases, particulates, and aerosol direct radiative forcing in the vicinity of Houston over a 5 day summer period. Model performance is evaluated using a wide range of meteorological, chemistry, and particulate measurements obtained during the 2000 Texas Air Quality Study. The predicted trace gas and particulate distributions were qualitatively similar to the surface and aircraft measurements with considerable spatial variations resulting from urban, power plant, and industrial sources of primary pollutants. Sulfate, organic carbon, and other inorganics were the largest constituents of the predicted particulates. The predicted shortwave radiation was 30 to 40 W m-2 closer to the observations when the aerosol optical properties were incorporated into the shortwave radiation scheme; however, the predicted hourly aerosol radiative forcing was still underestimated by 10 to 50 W m-2. The predicted aerosol radiative forcing was larger over Houston and the industrial ship channel than over the rural areas, consistent with surface measurements. The differences between the observed and simulated aerosol radiative forcing resulted from transport errors, relative humidity errors in the upper convective boundary layer that affect aerosol water content, secondary organic aerosols that were not yet included in the model, and uncertainties in the primary particulate emission rates. The current model was run in a predictive mode and demonstrates the challenges of accurately simulating all of the meteorological, chemical, and aerosol parameters over urban to regional scales that can affect aerosol radiative forcing.

  6. Towards a Radiation Hardened Fluxgate Magnetometer for Space Physics Applications

    NASA Astrophysics Data System (ADS)

    Miles, David M.

    Space-based measurements of the Earth's magnetic field are required to understand the plasma processes of the solar-terrestrial connection which energize the Van Allen radiation belts and cause space weather. This thesis describes a fluxgate magnetometer payload developed for the proposed Canadian Space Agencys Outer Radiation Belt Injection, Transport, Acceleration and Loss Satellite (ORBITALS) mission. The instrument can resolve 8 pT on a 65,000 nT field at 900 samples per second with a magnetic noise of less than 10 pT per square-root Hertz at 1 Hertz. The design can be manufactured from radiation tolerant (100 krad) space grade parts. A novel combination of analog temperature compensation and digital feedback simplifies and miniaturises the instrument while improving the measurement bandwidth and resolution. The prototype instrument was successfully validated at the Natural Resources Canada Geomagnetics Laboratory, and is being considered for future ground, satellite and sounding rocket applications.

  7. A Radiation Chemistry Code Based on the Green's Function of the Diffusion Equation

    NASA Technical Reports Server (NTRS)

    Plante, Ianik; Wu, Honglu

    2014-01-01

    Stochastic radiation track structure codes are of great interest for space radiation studies and hadron therapy in medicine. These codes are used for a many purposes, notably for microdosimetry and DNA damage studies. In the last two decades, they were also used with the Independent Reaction Times (IRT) method in the simulation of chemical reactions, to calculate the yield of various radiolytic species produced during the radiolysis of water and in chemical dosimeters. Recently, we have developed a Green's function based code to simulate reversible chemical reactions with an intermediate state, which yielded results in excellent agreement with those obtained by using the IRT method. This code was also used to simulate and the interaction of particles with membrane receptors. We are in the process of including this program for use with the Monte-Carlo track structure code Relativistic Ion Tracks (RITRACKS). This recent addition should greatly expand the capabilities of RITRACKS, notably to simulate DNA damage by both the direct and indirect effect.

  8. An exploratory study of proficient undergraduate Chemistry II students' application of Lewis's model

    NASA Astrophysics Data System (ADS)

    Lewis, Sumudu R.

    cases where the algorithm cannot be applied. Additionally, the proficient students' understanding (i.e., representation, explanation and application) of the Valence Shell Electron-Pair Repulsion theory was accurate and precise, and they used the key terms in the correct context when explaining their reasoning. The results of this study can be of great importance to general chemistry and organic chemistry courses' instructors. This study identified students' baseline academic skills and abilities that lead to conceptual understanding of the essential concepts of covalent bonding and molecule structure, which instructors could use as a guide for developing instruction. Furthermore knowing the effective methods of reasoning the students use while applying Lewis's model, the instructors may be better informed and be able to better facilitate students' learning of Lewis' model and its application. Finally, the ideas and methods used in this study can be of value to chemistry education researchers to learn more about developing proficiency through reasoning methods in other chemistry concepts.

  9. Solar Position Algorithm for Solar Radiation Applications (Revised)

    SciTech Connect

    Reda, I.; Andreas, A.

    2008-01-01

    This report is a step-by-step procedure for implementing an algorithm to calculate the solar zenith and azimuth angles in the period from the year -2000 to 6000, with uncertainties of ?0.0003/. It is written in a step-by-step format to simplify otherwise complicated steps, with a focus on the sun instead of the planets and stars in general. The algorithm is written in such a way to accommodate solar radiation applications.

  10. Modeling Trends in Aerosol Direct Radiative Effects over the Northern Hemisphere using a Coupled Meteorology-Chemistry Model

    NASA Astrophysics Data System (ADS)

    Mathur, R.; Pleim, J.; Wong, D.; Hogrefe, C.; Xing, J.; Wei, C.; Gan, M.

    2013-12-01

    population trends, economic conditions, and technology changes in motor vehicles and electric power generation. Analysis of measurements of aerosol composition, radiation, and associated variables, over the past two decades will be presented which indicate significant reductions in the tropospheric aerosol burden as well as an increase in down-welling shortwave radiation at numerous sites across the U.S. Initial applications of the coupled WRF-CMAQ model for time-periods pre and post the implementation of CAA Title IV will be discussed and comparisons with measurements to assess the model's ability to capture trends in aerosol burden, composition, and direct aerosol effects on surface shortwave radiation will be presented.

  11. Application of machine-learning methods to solid-state chemistry: ferromagnetism in transition metal alloys

    NASA Astrophysics Data System (ADS)

    Landrum, Gregory A.; Genin, Hugh

    2003-12-01

    Machine-learning methods are a collection of techniques for building predictive models from experimental data. The algorithms are problem-independent: the chemistry and physics of the problem being studied are contained in the descriptors used to represent the known data. The application of a variety of machine-learning methods to the prediction of ferromagnetism in ordered and disordered transition metal alloys is presented. Applying a decision tree algorithm to build a predictive model for ordered phases results in a model that is 100% accurate. The same algorithm achieves 99% accuracy when trained on a data set containing both ordered and disordered phases. Details of the descriptor sets for both applications are also presented.

  12. Nanoporous Anodic Alumina Platforms: Engineered Surface Chemistry and Structure for Optical Sensing Applications

    PubMed Central

    Kumeria, Tushar; Santos, Abel; Losic, Dusan

    2014-01-01

    Electrochemical anodization of pure aluminum enables the growth of highly ordered nanoporous anodic alumina (NAA) structures. This has made NAA one of the most popular nanomaterials with applications including molecular separation, catalysis, photonics, optoelectronics, sensing, drug delivery, and template synthesis. Over the past decades, the ability to engineer the structure and surface chemistry of NAA and its optical properties has led to the establishment of distinctive photonic structures that can be explored for developing low-cost, portable, rapid-response and highly sensitive sensing devices in combination with surface plasmon resonance (SPR) and reflective interference spectroscopy (RIfS) techniques. This review article highlights the recent advances on fabrication, surface modification and structural engineering of NAA and its application and performance as a platform for SPR- and RIfS-based sensing and biosensing devices. PMID:25004150

  13. Solid electrodes in electroanalytical chemistry: present applications and prospects for high throughput screening of drug compounds.

    PubMed

    Uslu, Bengi; Ozkan, Sibel A

    2007-08-01

    This review summarizes recent progress in the development and application of solid electrodes to the screening of pharmaceutical dosage forms and biological fluids. Recent trends and advances in the electroanalytical chemistry of solid electrodes, microelectrodes and electrochemical sensors are reviewed. The varieties of solid electrodes and their basic physico-chemical properties and some specific characteristics including some supramolecular phenomena at their surface are surveyed. This review also includes some selected designs and their applications. Despite many reviews about individual solid electrodes in the literature, this review offers the first comprehensive report on all forms of solid electrodes. Special attention is paid to the possibilities of solid electrodes in high throughput electroanalytical investigation of drug dosage forms and biological samples using modern electroanalytical techniques. Various selected studies on these subjects since 1996 are reviewed in this paper.

  14. A Linguistic Comparison of Letters of Recommendation for Male and Female Chemistry and Biochemistry Job Applicants

    PubMed Central

    Whitehead, Jessica; Wysocki, Vicki H.

    2008-01-01

    Letters of recommendation are central to the hiring process. However, gender stereotypes could bias how recommenders describe female compared to male applicants. In the current study, text analysis software was used to examine 886 letters of recommendation written on behalf of 235 male and 42 female applicants for either a chemistry or biochemistry faculty position at a large U.S. research university. Results revealed more similarities than differences in letters written for male and female candidates. However, recommenders used significantly more standout adjectives to describe male as compared to female candidates. Letters containing more standout words also included more ability words and fewer grindstone words. Research is needed to explore how differences in language use affect perceivers’ evaluations of female candidates. PMID:18953419

  15. Describing the direct and indirect radiative effects of atmospheric aerosols over Europe by using coupled meteorology-chemistry simulations: a contribution from the AQMEII-Phase II exercise

    NASA Astrophysics Data System (ADS)

    Jimenez-Guerrero, Pedro; Balzarini, Alessandra; Baró, Rocío; Curci, Gabriele; Forkel, Renate; Hirtl, Marcus; Honzak, Luka; Langer, Matthias; Pérez, Juan L.; Pirovano, Guido; San José, Roberto; Tuccella, Paolo; Werhahn, Johannes; Zabkar, Rahela

    2014-05-01

    The study of the response of the aerosol levels in the atmosphere to a changing climate and how this affects the radiative budget of the Earth (direct, semi-direct and indirect effects) is an essential topic to build confidence on climate science, since these feedbacks involve the largest uncertainties nowadays. Air quality-climate interactions (AQCI) are, therefore, a key, but uncertain contributor to the anthropogenic forcing that remains poorly understood. To build confidence in the AQCI studies, regional-scale integrated meteorology-atmospheric chemistry models (i.e., models with on-line chemistry) that include detailed treatment of aerosol life cycle and aerosol impacts on radiation (direct effects) and clouds (indirect effects) are in demand. In this context, the main objective of this contribution is the study and definition of the uncertainties in the climate-chemistry-aerosol-cloud-radiation system associated to the direct radiative forcing and the indirect effect caused by aerosols over Europe, using an ensemble of fully-coupled meteorology-chemistry model simulations with the WRF-Chem model run under the umbrella of AQMEII-Phase 2 international initiative. Simulations were performed for Europe for the entire year 2010. According to the common simulation strategy, the year was simulated as a sequence of 2-day time slices. For better comparability, the seven groups applied the same grid spacing of 23 km and shared common processing of initial and boundary conditions as well as anthropogenic and fire emissions. With exception of a simulation with different cloud microphysics, identical physics options were chosen while the chemistry options were varied. Two model set-ups will be considered here: one sub-ensemble of simulations not taking into account any aerosol feedbacks (the baseline case) and another sub-ensemble of simulations which differs from the former by the inclusion of aerosol-radiation feedback. The existing differences for meteorological

  16. Comparison of nine different real-time PCR chemistries for qualitative and quantitative applications in GMO detection.

    PubMed

    Buh Gasparic, Meti; Tengs, Torstein; La Paz, Jose Luis; Holst-Jensen, Arne; Pla, Maria; Esteve, Teresa; Zel, Jana; Gruden, Kristina

    2010-03-01

    Several techniques have been developed for detection and quantification of genetically modified organisms, but quantitative real-time PCR is by far the most popular approach. Among the most commonly used real-time PCR chemistries are TaqMan probes and SYBR green, but many other detection chemistries have also been developed. Because their performance has never been compared systematically, here we present an extensive evaluation of some promising chemistries: sequence-unspecific DNA labeling dyes (SYBR green), primer-based technologies (AmpliFluor, Plexor, Lux primers), and techniques involving double-labeled probes, comprising hybridization (molecular beacon) and hydrolysis (TaqMan, CPT, LNA, and MGB) probes, based on recently published experimental data. For each of the detection chemistries assays were included targeting selected loci. Real-time PCR chemistries were subsequently compared for their efficiency in PCR amplification and limits of detection and quantification. The overall applicability of the chemistries was evaluated, adding practicability and cost issues to the performance characteristics. None of the chemistries seemed to be significantly better than any other, but certain features favor LNA and MGB technology as good alternatives to TaqMan in quantification assays. SYBR green and molecular beacon assays can perform equally well but may need more optimization prior to use.

  17. Comparison of nine different real-time PCR chemistries for qualitative and quantitative applications in GMO detection.

    PubMed

    Buh Gasparic, Meti; Tengs, Torstein; La Paz, Jose Luis; Holst-Jensen, Arne; Pla, Maria; Esteve, Teresa; Zel, Jana; Gruden, Kristina

    2010-03-01

    Several techniques have been developed for detection and quantification of genetically modified organisms, but quantitative real-time PCR is by far the most popular approach. Among the most commonly used real-time PCR chemistries are TaqMan probes and SYBR green, but many other detection chemistries have also been developed. Because their performance has never been compared systematically, here we present an extensive evaluation of some promising chemistries: sequence-unspecific DNA labeling dyes (SYBR green), primer-based technologies (AmpliFluor, Plexor, Lux primers), and techniques involving double-labeled probes, comprising hybridization (molecular beacon) and hydrolysis (TaqMan, CPT, LNA, and MGB) probes, based on recently published experimental data. For each of the detection chemistries assays were included targeting selected loci. Real-time PCR chemistries were subsequently compared for their efficiency in PCR amplification and limits of detection and quantification. The overall applicability of the chemistries was evaluated, adding practicability and cost issues to the performance characteristics. None of the chemistries seemed to be significantly better than any other, but certain features favor LNA and MGB technology as good alternatives to TaqMan in quantification assays. SYBR green and molecular beacon assays can perform equally well but may need more optimization prior to use. PMID:20087729

  18. The contribution of electronically excited states to the radiation chemistry of organic systems

    SciTech Connect

    Lipsky, S.

    1992-01-01

    At low concentrations ({le}10{sup {minus}3}M) of aromatic solutes in saturated. hydrocarbon solvents, very efficient transport of electronic energy from photo-excited solvent to aromatic is observed. Effects of temperature, dilution, and quenching additives are being studied. Two-photon pulsed laser excitation gives no evidence of long lived metastable states. The fluorescence quantum yields of saturated hydrocarbon liquids have been studied for excitation wavelengths from 200 to 120 nm. For many compounds, the quantum yields for fluorescence are observed to decline to a minimum value at, or near, previously reported ionization thresholds. At higher energies, the magnitude of the quantum yield for fluorescence begins to increase. Magnetic field effects on intensity of steady-state recombination fluorescence have been observed both for photo-generated and {Beta}{sup {minus}} generated, electron and positive ion geminate pairs in saturated hydrocarbon liquids. The comparison indicates an important contribution . to observed recombination fluorescence from multiple ion-pairs under radiation chemical conditions. For photo-excited aromatic solutes dissolved in saturated hydrocarbon liquids, no magnetic field effect could be observed until surprisingly large excess energies above the threshold for ionization were achieved. This suggests a much smaller average range for the thermalized electron than expected from photoconductivity.

  19. Radiation-Hardened Software for Space Flight Science Applications

    NASA Astrophysics Data System (ADS)

    Mehlitz, P. C.; Penix, J. J.; Markosian, L. Z.

    2005-12-01

    Hardware faults caused by radiation-induced Single Event Effects (SEEs) are a serious issue in space flight, especially affecting scientific missions in earth orbits crossing the poles or the South Atlantic Anomaly. Traditionally, SEEs are treated as a hardware problem, for example mitigated by radiation-hardened processors and shielding. Rad-hardened processors are expensive, exhibit a decade performance gap compared to COTS technology, have a larger form factor and require more power. Shielding is ineffective for high energy particles and increases launch weight. Hardware approaches cannot dynamically adapt protection levels for different radiation scenarios depending on solar activity and flight phase. Future hardware will exacerbate the problem due to higher chip densities and lower power levels. An alternative approach is to use software to mitigate SEEs. This "Radiation Hardened Software" (RHS) approach has two components: (1) RHS library and application design guidelines To increase robustness, we combine SEE countermeasures in three areas: prevention and detection; recovery; and reconfiguration. Prevention and detection includes an application- and heap-aware memory scanner, and dynamically adapted software Error Correction Codes to handle cache and multi-bit errors. Recovery mechanisms include exception firewalls and transaction-based software design patterns, to minimize data loss. Reconfiguration includes a heap manager to avoid damaged memory areas. (2) Software-based SEE Simulation Probabilistic effects require extensive simulation, with test environments that do not require original flight hardware and can simulate various SEE profiles. We use processor emulation software, interfaced to a debugger, to analyze SEE propagation and optimize RHS mechanisms. The simulator runs unmodified binary flight code, enables injecting randomized transient and permanent memory errors, providing execution traces and precise failure reproduction. The goal of RHS is to

  20. Application of the Supreme Court's Daubert criteria in radiation litigation.

    PubMed

    Merwin, S E; Moeller, D W; Kennedy, W E; Moeller, M P

    2001-12-01

    In 1993, the U.S. Supreme Court set forth the standard for determining the admissibility of expert scientific evidence in litigation. This standard is known as the Daubert criteria, named after the pertinent case, Daubert v. Merrell Dow Pharmaceuticals, Inc. The Daubert criteria require the courts to determine whether an expert's testimony reflects scientific knowledge, whether his/her findings are derived by the scientific method, and whether the work product is based on good science. The Daubert criteria are especially important in radiation litigation because issues involving radiation doses and effects are often complex and thus a jury will typically rely heavily on the analysis and opinions of experts. According to the Daubert criteria, scientific opinions must be based on a methodology that has a valid, testable hypothesis; has been subject to peer review; and is generally accepted in the scientific community. Additionally, the expert must be qualified to present opinions based on the methodology. Although the application of the Daubert criteria in radiation litigation is highly dependent on the specific court and judge presiding over the case, there have been recent high-profile cases in which application of the criteria has resulted in the dismissal of analysis and opinions offered by scientific experts. Reasons for the dismissals have included basic scientific errors such as failure of the expert to consider all possible explanations for an observed phenomenon, the selective use of data by the expert, and the failure to acknowledge and resolve inconsistencies between the expert's results and those of other investigators. This paper reviews the Daubert criteria as they apply to radiation litigation and provides examples of the application of the criteria from recent judgments involving the Three Mile Island and Hanford Downwinders cases. PMID:11725885

  1. Effect of wood ash application on soil solution chemistry of tropical acid soils: incubation study.

    PubMed

    Nkana, J C Voundi; Demeyer, A; Verloo, M G

    2002-12-01

    The objective of this study was to determine the effect of wood ash application on soil solution composition of three tropical acid soils. Calcium carbonate was used as a reference amendment. Amended soils and control were incubated for 60 days. To assess soluble nutrients, saturation extracts were analysed at 15 days intervals. Wood ash application affects the soil solution chemistry in two ways, as a liming agent and as a supplier of nutrients. As a liming agent, wood ash application induced increases in soil solution pH, Ca, Mg, inorganic C, SO4 and DOC. As a supplier of elements, the increase in the soil solution pH was partly due to ligand exchange between wood ash SO4 and OH- ions. Large increases in concentrations of inorganic C, SO4, Ca and Mg with wood ash relative to lime and especially increases in K reflected the supply of these elements by wood ash. Wood ash application could represent increased availability of nutrients for the plant. However, large concentrations of basic cations, SO4 and NO3 obtained with higher application rates could be a concern because of potential solute transport to surface waters and groundwater. Wood ash must be applied at reasonable rates to avoid any risk for the environment. PMID:12365502

  2. CHEMISTRY IN THE FIRST HYDROSTATIC CORE STAGE BY ADOPTING THREE-DIMENSIONAL RADIATION HYDRODYNAMIC SIMULATIONS

    SciTech Connect

    Furuya, Kenji; Aikawa, Yuri; Tomida, Kengo; Tomisaka, Kohji; Matsumoto, Tomoaki; Saigo, Kazuya; Hersant, Franck; Wakelam, Valentine

    2012-10-20

    We investigate molecular evolution from a molecular cloud core to a first hydrostatic core in three spatial dimensions. We perform a radiation hydrodynamic simulation in order to trace fluid parcels, in which molecular evolution is investigated, using a gas-phase and grain-surface chemical reaction network. We derive spatial distributions of molecular abundances and column densities in the molecular cloud core harboring the first core. We find that the total gas and ice abundances of many species in a cold era (10 K) remain unaltered until the temperature reaches {approx}500 K. The gas abundances in the warm envelope and the outer layer of the first core (T {approx}< 500 K) are mainly determined via the sublimation of ice-mantle species. Above 500 K, the abundant molecules, such as H{sub 2}CO, start to be destroyed, and simple molecules, such as CO, H{sub 2}O, and N{sub 2}, are reformed. On the other hand, some molecules are effectively formed at high temperature; carbon chains, such as C{sub 2}H{sub 2} and cyanopolyynes, are formed at temperatures >700 K. We also find that large organic molecules, such as CH{sub 3}OH and HCOOCH{sub 3}, are associated with the first core (r {approx}< 10 AU). Although the abundances of these molecules in the first core stage are comparable to or less than in the protostellar stage (hot corino), reflecting the lower luminosity of the central object, their column densities in our model are comparable to the observed values toward the prototypical hot corino, IRAS 16293-2422. We propose that these large organic molecules can be good tracers of the first cores.

  3. Molecular Environmental Science Using Synchrotron Radiation: Chemistry and Physics of Waste Form Materials

    SciTech Connect

    Lindle, Dennis W.

    2011-04-21

    Production of defense-related nuclear materials has generated large volumes of complex chemical wastes containing a mixture of radionuclides. The disposition of these wastes requires conversion of the liquid and solid-phase components into durable, solid forms suitable for long-term immobilization. Specially formulated glass compositions and ceramics such as pyrochlores and apatites are the main candidates for these wastes. An important consideration linked to the durability of waste-form materials is the local structure around the waste components. Equally important is the local structure of constituents of the glass and ceramic host matrix. Knowledge of the structure in the waste-form host matrices is essential, prior to and subsequent to waste incorporation, to evaluate and develop improved waste-form compositions based on scientific considerations. This project used the soft-x-ray synchrotron-radiation-based technique of near-edge x-ray-absorption fine structure (NEXAFS) as a unique method for investigating oxidation states and structures of low-Z elemental constituents forming the backbones of glass and ceramic host matrices for waste-form materials. In addition, light metal ions in ceramic hosts, such as titanium, are also ideal for investigation by NEXAFS in the soft-x-ray region. Thus, one of the main objectives was to understand outstanding issues in waste-form science via NEXAFS investigations and to translate this understanding into better waste-form materials, followed by eventual capability to investigate “real” waste-form materials by the same methodology. We conducted several detailed structural investigations of both pyrochlore ceramic and borosilicate-glass materials during the project and developed improved capabilities at Beamline 6.3.1 of the Advanced Light Source (ALS) to perform the studies.

  4. Theory and measurement of emittance properties for radiation thermometry applications.

    NASA Technical Reports Server (NTRS)

    Dewitt, D. P.; Hernicz, R. S.

    1972-01-01

    Some basic concepts of radiation physics are briefly reviewed to provide an introduction to the radiative properties - including emittance, reflectance, absorptance, and transmittance - their definitions, interrelations, theory and methods of measurement. Analyzed data showing typical characteristics of temperature and wavelength dependence, surface effects and environmental influences on the radiation properties of selected classes of materials are presented. Emphasis is placed on those emittance properties of particular interest to conventional radiation thermometry applications, but sufficient generality on all properties is presented to be useful for new or unusual techniques where a more detailed understanding of the behavior of materials is desirable. Data sources are identified to assist the reader in locating property information. It is the intention of the paper to give the reader a background to become more fully aware of the pitfalls, limitations, but of course, advantages in the use of data from the literature. The paper is written in the form of an abbreviated review fully documenting the more important topics and concepts which can only be treated briefly.

  5. Annual Report: Hydrodynamics and Radiative Hydrodynamics with Astrophysical Applications

    SciTech Connect

    R. Paul Drake

    2005-12-01

    We report the ongoing work of our group in hydrodynamics and radiative hydrodynamics with astrophysical applications. During the period of the existing grant, we have carried out two types of experiments at the Omega laser. One set of experiments has studied radiatively collapsing shocks, obtaining high-quality scaling data using a backlit pinhole and obtaining the first (ever, anywhere) Thomson-scattering data from a radiative shock. Other experiments have studied the deeply nonlinear development of the Rayleigh-Taylor (RT) instability from complex initial conditions, obtaining the first (ever, anywhere) dual-axis radiographic data using backlit pinholes and ungated detectors. All these experiments have applications to astrophysics, discussed in the corresponding papers either in print or in preparation. We also have obtained preliminary radiographs of experimental targets using our x-ray source. The targets for the experiments have been assembled at Michigan, where we also prepare many of the simple components. The above activities, in addition to a variety of data analysis and design projects, provide good experience for graduate and undergraduates students. In the process of doing this research we have built a research group that uses such work to train junior scientists.

  6. Development and application of the High resolution VOC Atmospheric Chemistry in Canopies (Hi-VACC) model

    NASA Astrophysics Data System (ADS)

    Kenny, W.; Bohrer, G.; Chatziefstratiou, E.

    2013-12-01

    We have been working to develop a new post-processing model - High resolution VOC Atmospheric Chemistry in Canopies (Hi-VACC) - which will be able to resolve the dispersion and chemistry of reacting chemical species given their emission rates from the vegetation and soil, driven by high resolution meteorological forcing and wind fields from various high resolution atmospheric regional and large-eddy simulations. Hi-VACC reads in fields of pressure, temperature, humidity, air density, short-wave radiation, wind (3-D u, v and w components) and sub-grid-scale turbulence that were simulated by a high resolution atmospheric model. This meteorological forcing data is provided as snapshots of 3-D fields. Presently, the advection-diffusion portion of the model is fully developed, and we have tested it using a number of RAMS-based Forest Large Eddy Simulation (RAFLES) runs. Here, we present results from utilizing Hi-VACC in a few different contexts where it performs smoke and particle dispersion well. These include simulations of smoke dispersion from a theoretical forest fire in a domain in The Pine Barrens in New Jersey, as well as simulations to test the effects of heat flux on a scalar plume dispersing over a vegetative windbreak in an agricultural setting. Additional, we show initial results from testing the coupled chemistry component of Hi-VACC. One of the primary benefits of Hi-VACC is that users of other models can utilize this tool with only minimal work on their part -- processing their output fields into the appropriate HI-VACC input format. We have developed our model such that for whatever atmospheric model is being used with it, a MATLAB function must be written to extract the necessary information from the output files of that model and shape it into the proper format. This is the only model-specific work required. As such, this sort of smoke dispersion modeling performed by Hi-VACC - as well as its other capabilities - can be easily performed in other

  7. Applications of monolithic solid-phase extraction in chromatography-based clinical chemistry assays.

    PubMed

    Bunch, Dustin R; Wang, Sihe

    2013-04-01

    Complex matrices, for example urine, serum, plasma, and whole blood, which are common in clinical chemistry testing, contain many non-analyte compounds that can interfere with either detection or in-source ionization in chromatography-based assays. To overcome this problem, analytes are extracted by protein precipitation, solid-phase extraction (SPE), and liquid-liquid extraction. With correct chemistry and well controlled material SPE may furnish clean specimens with consistent performance. Traditionally, SPE has been performed with particle-based adsorbents, but monolithic SPE is attracting increasing interest of clinical laboratories. Monoliths, solid pieces of stationary phase, have bimodal structures consisting of macropores, which enable passage of solvent, and mesopores, in which analytes are separated. This structure results in low back-pressure with separation capabilities similar to those of particle-based adsorbents. Monoliths also enable increased sample throughput, reduced solvent use, varied support formats, and/or automation. However, many of these monoliths are not commercially available. In this review, application of monoliths to purification of samples from humans before chromatography-based assays will be critically reviewed.

  8. On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

    NASA Astrophysics Data System (ADS)

    Turi, László

    2016-04-01

    We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

  9. Recent advances in structure and reactivity of dissolved organic matter: radiation chemistry of non-isolated natural organic matter and selected model compounds.

    PubMed

    Ayatollahi, Shakiba; Kalnina, Daina; Song, Weihua; Cottrell, Barbara A; Gonsior, Michael; Cooper, William J

    2012-01-01

    The importance of natural organic matter (NOM) as a source of carbon in natural waters, as the source of reactive oxygen species, or for the complications its presence causes in treatment of natural waters, is undeniable. Recent studies have also pointed to the major photochemical role of triplet excited state of natural organic matter in the environmental fate of pharmaceutical and personal care products (PPCPs) in waters. However, the characterization of NOM is problematic due to its complex molecular structure. One approach to better understand NOM chemistry is the use of model compounds. As the condensation of a plant's phenolic compounds leads to humification and the formation of NOM, a structurally broad group of nine phenolic compounds were selected as model compounds for this study. With methods used in the discipline of radiation chemistry, the oxidative chemistry and transient spectra of these phenols were studied. In addition, the oxidative chemistry and transient spectra of a sample of NOM from the Black River, North Carolina, USA, was characterized. This natural water sample was used as received and represents the first studies of non-isolated NOM by pulsed radiolysis. The results of the transient spectra of the NOM revealed that the radical intermediates were very long lived. This phenomenon was not captured using the nine model compounds suggesting that more complex compounds are needed to further our understanding of the oxidation chemistry of NOM.

  10. Radiation grafted adsorbents for newly emerging environmental applications

    NASA Astrophysics Data System (ADS)

    Mahmoud Nasef, Mohamed; Ting, T. M.; Abbasi, Ali; Layeghi-moghaddam, Alireza; Sara Alinezhad, S.; Hashim, Kamaruddin

    2016-01-01

    Radiation induced grafting (RIG) is acquired to prepare a number of adsorbents for newly emerging environmental applications using a single route involving RIG of glycidymethacrylate (GMA) onto polyethylene-polypropylene (PE-PP) non-woven fabric. The grafted fabric was subjected to one of three functionalization reactions to impart desired ionic characters. This included treatment with (1) N-dimethyl-D-glucamine, (2) triethylamine and (3) triethylamine and alkalisation with KOH. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscope (SEM) were used to study the changes in chemical and physical structures of the obtained fibrous adsorbents. The potential applications of the three adsorbents for removal of boron from solutions, capturing CO2 from CO2/N2 mixtures and catalysing transesterification of triacetin/methanol to methyl acetate (biodiesel) were explored. The obtained fibrous adsorbents provide potential alternatives to granular resins for the investigated applications and require further development.

  11. Application of silicon carbide to synchrotron-radiation mirrors

    SciTech Connect

    Takacs, P.Z.; Hursman, T.L.; Williams, J.T.

    1983-09-01

    Damage to conventional mirror materials exposed to the harsh synchrotron radiation (SR) environment has prompted the SR user community to search for more suitable materials. Next-generation insertion devices, with their attendant flux increases, will make the problem of mirror design even more difficult. A parallel effort in searching for better materials has been underway within the laser community for several years. The technology for dealing with high thermal loads is highly developed among laser manufacturers. Performance requirements for laser heat exchangers are remarkably similar to SR mirror requirements. We report on the application of laser heat exchanger technology to the solution of typical SR mirror design problems. The superior performance of silicon carbide for laser applications is illustrated by various material trades studies, and its superior performance for SR applications is illustrated by means of model calculations.

  12. The Chandrasekhar method and its applications to atmospheric radiative transfer

    SciTech Connect

    Stamnes, K.

    1994-12-31

    Problems involving radiation and particle transport in a host medium require solution of the linear (or linearized) Boltzmann equation. A convenient strategy for solving such problems is to apply a multigroup procedure in which the problem is reformulated as a series of one-group problems in such a way that each one-group problem may be cast into a form identical to the monochromatic radiative transfer equation. In essence, Chandrasekhar`s method consists of converting the integro-differential equation for the resulting one-group problem into a system of coupled differential equations for which eigensolutions are sought. The basic method is well described in Chandrasekhar`s classic text in which applications to simple problems were used to demonstrate the potential power of the method before the advent of the modern computer.

  13. Anatomical models for space radiation applications: An overview

    NASA Astrophysics Data System (ADS)

    Atwell, W.

    1994-10-01

    Extremely detailed computerized anatomical male (CAM) and female (CAF) models that have been developed for use in space radiation analyses are discussed and reviewed. Recognizing that the level of detail may currently be inadequate for certain radiological applications, one of the purposes of this paper is to elicit specific model improvements or requirements from the scientific user-community. Methods and rationale are presented which describe the approach used in the Space Shuttle program to extrapolate dosimetry measurements (skin doses) to realistic astronaut body organ doses. Several mission scenarios are presented which demonstrate the utility of the anatomical models for obtaining specific body organ exposure estimates and can be used for establishing cancer morbidity and mortality risk assessments. These exposure estimates are based on the trapped Van Allen belt and galactic cosmic radiation environment models and data from the major historical solar particle events.

  14. "Click" Chemistry: Application of Copper Metal in Cu-Catalyzed Azomethine Imine-Alkyne Cycloadditions.

    PubMed

    Pušavec Kirar, Eva; Grošelj, Uroš; Mirri, Giorgio; Požgan, Franc; Strle, Gregor; Štefane, Bogdan; Jovanovski, Vasko; Svete, Jurij

    2016-07-15

    A series of 16 copper-catalyzed azomethine imine-alkyne cycloaddition (CuAIAC) reactions between four pyrazolidinone-1-azomethine imines and four terminal ynones gave the corresponding fluorescent cycloadducts as bimane analogues in very high yields. The applicability of CuAIAC was demonstrated by the fluorescent labeling of functionalized polystyrene and by using Cu-C and Cu-Fe as catalysts. Experimental evidence, kinetic measurements, and correlation between a clean catalyst surface and the reaction rate are in agreement with a homotopic catalytic system with catalytic Cu(I)-acetylide formed from Cu(0) by "in situ" oxidation. The availability of azomethine imines, mild reaction conditions, simple workup, and scalability make CuAIAC a viable supplement to the Cu-catalyzed azide-alkyne cycloaddition reaction in "click" chemistry. PMID:27305104

  15. On determining important aspects of mathematical models: Application to problems in physics and chemistry

    NASA Technical Reports Server (NTRS)

    Rabitz, Herschel

    1987-01-01

    The use of parametric and functional gradient sensitivity analysis techniques is considered for models described by partial differential equations. By interchanging appropriate dependent and independent variables, questions of inverse sensitivity may be addressed to gain insight into the inversion of observational data for parameter and function identification in mathematical models. It may be argued that the presence of a subset of dominantly strong coupled dependent variables will result in the overall system sensitivity behavior collapsing into a simple set of scaling and self similarity relations amongst elements of the entire matrix of sensitivity coefficients. These general tools are generic in nature, but herein their application to problems arising in selected areas of physics and chemistry is presented.

  16. Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis.

    PubMed

    Díaz Velázquez, Heriberto; Ruiz García, Yara; Vandichel, Matthias; Madder, Annemieke; Verpoort, Francis

    2014-12-14

    Copper(I)-catalyzed 1,3-dipolar cycloaddition of azides and terminal alkynes (CuAAC), better known as "click" reaction, has triggered the use of 1,2,3-triazoles in bioconjugation, drug discovery, materials science and combinatorial chemistry. Here we report a new series of water-soluble catalysts based on N-heterocyclic carbene (NHC)-Cu complexes which are additionally functionalized with a sulfonate group. The complexes show superior activity towards CuAAC reactions and display a high versatility, enabling the production of triazoles with different substitution patterns. Additionally, successful application of these complexes in bioconjugation using unprotected peptides acting as DNA binding domains was achieved for the first time. Mechanistic insight into the reaction mechanism is obtained by means of state-of-the-art first principles calculations.

  17. Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry.

    PubMed

    Ooms, F

    2000-02-01

    The development of new drugs with potential therapeutic applications is one of the most complex and difficult process in the pharmaceutical industry. Millions of dollars and man-hours are devoted to the discovery of new therapeutical agents. As, the activity of a drug is the result of a multitude of factors such as bioavailability, toxicity and metabolism, rational drug design has been utopias for centuries. Very recently, impressive technological advances in areas such as structural characterization of biomacromolecules, computer sciences and molecular biology have made rational drug design feasible. The aim of this review is to give an outline of studies in the field of medicinal chemistry in which molecular modeling has helped in the discovery process of new drugs. The emphasis will be on lead generation and optimization.

  18. 41 CFR 50-204.35 - Application for variations from radiation levels.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum...

  19. 41 CFR 50-204.35 - Application for variations from radiation levels.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum...

  20. 41 CFR 50-204.35 - Application for variations from radiation levels.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum...

  1. 41 CFR 50-204.35 - Application for variations from radiation levels.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum...

  2. 41 CFR 50-204.35 - Application for variations from radiation levels.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum...

  3. Overview of Recent Radiation Transport Code Comparisons for Space Applications

    NASA Astrophysics Data System (ADS)

    Townsend, Lawrence

    Recent advances in radiation transport code development for space applications have resulted in various comparisons of code predictions for a variety of scenarios and codes. Comparisons among both Monte Carlo and deterministic codes have been made and published by vari-ous groups and collaborations, including comparisons involving, but not limited to HZETRN, HETC-HEDS, FLUKA, GEANT, PHITS, and MCNPX. In this work, an overview of recent code prediction inter-comparisons, including comparisons to available experimental data, is presented and discussed, with emphases on those areas of agreement and disagreement among the various code predictions and published data.

  4. Nonlinear aspects of acoustic radiation force in biomedical applications

    SciTech Connect

    Ostrovsky, Lev; Tsyuryupa, Sergey; Sarvazyan, Armen

    2015-10-28

    In the past decade acoustic radiation force (ARF) became a powerful tool in numerous biomedical applications. ARF from a focused ultrasound beam acts as a virtual “finger” for remote probing of internal anatomical structures and obtaining diagnostic information. This presentation deals with generation of shear waves by nonlinear focused beams. Albeit the ARF has intrinsically nonlinear origin, in most cases the primary ultrasonic wave was considered in the linear approximation. In this presentation, we consider the effects of nonlinearly distorted beams on generation of shear waves by such beams.

  5. Evolution of Ozone, Particulates, and Aerosol Direct Radiative Forcing in the Vicinity of Houston Using a Fully Coupled Meteorology-Chemistry-Aerosol Model

    SciTech Connect

    Fast, Jerome D.; Gustafson, William I.; Easter, Richard C.; Zaveri, Rahul A.; Barnard, James C.; Chapman, Elaine G.; Grell, Georg; Peckham, S. E.

    2006-11-11

    A new fully-coupled meteorology-chemistry-aerosol model is used to simulate the urban to regional scale variations in trace gases, particulates, and aerosol direct radiative forcing in the vicinity of Houston over a five day summer period. Model performance is evaluated using a wide range of meteorological, chemistry, and particulate measurements obtained during 2000 Texas Air Quality Study. The predicted trace gas and particulate distributions were qualitatively similar to the surface and aircraft measurements with considerable spatial variations resulting from urban, power plant, and industrial sources of primary pollutants. Sulfate, organic carbon, and other inorganics were the largest constituents of the predicted particulates. The predicted shortwave radiation was 30 to 40 W m-2 closer to the observations when the aerosol optical properties were incorporated into the shortwave radiation scheme; however, the predicted hourly aerosol radiative forcing was still under-estimated by 10 to 50 W m-2. The predicted aerosol radiative forcing was larger over Houston and the industrial ship channel than over the rural areas, consistent with surface measurements. The differences between the observed and simulated aerosol radiative forcing resulted from transport errors, relative humidity errors in the upper convective boundary layer that affect aerosol water content, secondary organic aerosols that were not yet included in the model, and uncertainties in the primary particulate emission rates. The current model was run in a predictive mode and demonstrates the challenges of accurately simulating all of the meteorological, chemical, and aerosol parameters over urban to regional scales that can affect aerosol radiative forcing.

  6. Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments

    DOE PAGES

    Sun, C.; Zheng, S.; Wei, C. C.; Wu, Y.; Shao, L.; Yang, Y.; Hartwig, K. T.; Maloy, S. A.; Zinkle, S. J.; Allen, T. R.; et al

    2015-01-15

    Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304L SS with an average grain size ofmore » ~100 nm, can withstand Fe ion irradiation at 500°C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M₂₃C₆ precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments.« less

  7. Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments

    PubMed Central

    Sun, C.; Zheng, S.; Wei, C. C.; Wu, Y.; Shao, L.; Yang, Y.; Hartwig, K. T.; Maloy, S. A.; Zinkle, S. J.; Allen, T. R.; Wang, H.; Zhang, X.

    2015-01-01

    Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304L SS with an average grain size of ~100 nm, can withstand Fe ion irradiation at 500°C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M23C6 precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments. PMID:25588326

  8. Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments

    SciTech Connect

    Sun, C.; Zheng, S.; Wei, C. C.; Wu, Y.; Shao, L.; Yang, Y.; Hartwig, K. T.; Maloy, S. A.; Zinkle, S. J.; Allen, T. R.; Wang, H.; Zhang, X.

    2015-01-15

    Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304L SS with an average grain size of ~100 nm, can withstand Fe ion irradiation at 500°C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M₂₃C₆ precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments.

  9. Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments.

    PubMed

    Sun, C; Zheng, S; Wei, C C; Wu, Y; Shao, L; Yang, Y; Hartwig, K T; Maloy, S A; Zinkle, S J; Allen, T R; Wang, H; Zhang, X

    2015-01-15

    Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304 L SS with an average grain size of ~100 nm, can withstand Fe ion irradiation at 500 °C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M(23)C(6) precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments.

  10. Test of radiation detectors used in homeland security applications.

    PubMed

    Pibida, L; Minniti, R; O'Brien, M; Unterweger, M

    2005-05-01

    This work was performed as part of the National Institute of Standards and Technology (NIST) program to support the development of the new American National Standards Institute (ANSI) standards N42.32-2003 and N42.33-2003 for hand-held detectors, and personal electronic dosimeters, as well as to support the Office of Law Enforcement Standards (OLES) and the Department of Homeland Security (DHS) in testing these types of detectors for their use by first responders. These instruments are required to operate over a photon energy range of 60 keV to 1.33 MeV and over a wide range of air-kerma rates. The performance and response of various radiation detectors, purchased by the NIST, was recorded when placed in 60Co, 137Cs, and x-ray beams at different air-kerma rates. The measurements described in this report were performed at the NIST x-ray and gamma-ray radiation calibration facilities. The instruments' response (exposure or dose rate readings) shows strong energy dependence but almost no dependence to different air-kerma rates. The data here reported provide a benchmark in support of current protocols that are being developed for radiation detection instrumentation used in homeland security applications. A future plan is to test these devices, plus other commercially available detectors, against ANSI standards N42.32-2003 and N42.33-2003.

  11. Radiation Heat Transfer Procedures for Space-Related Applications

    NASA Technical Reports Server (NTRS)

    Chai, John C.

    2000-01-01

    Over the last contract year, a numerical procedure for combined conduction-radiation heat transfer using unstructured grids has been developed. As a result of this research, one paper has been published in the Numerical Heat Transfer Journal. One paper has been accepted for presentation at the International Center for Heat and Mass Transfer's International Symposium on Computational Heat Transfer to be held in Australia next year. A journal paper is under review by my NASA's contact. A conference paper for the ASME National Heat Transfer conference is under preparation. In summary, a total of four (4) papers (two journal and two conference) have been published, accepted or are under preparation. There are two (2) to three (3) more papers to be written for the project. In addition to the above publications, one book chapter, one journal paper and six conference papers have been published as a result of this project. Over the last contract year, the research project resulted in one Ph.D. thesis and partially supported another Ph.D. student. My NASA contact and myself have formulated radiation heat transfer procedures for materials with different indices of refraction and for combined conduction-radiation heat transfer. We are trying to find other applications for the procedures developed under this grant.

  12. Converting STEM Doctoral Dissertations into Patent Applications: A Study of Chemistry, Physics, Mathematics, and Chemical Engineering Dissertations from CIC Institutions

    ERIC Educational Resources Information Center

    Butkovich, Nancy J.

    2015-01-01

    Doctoral candidates may request short-term embargoes on the release of their dissertations in order to apply for patents. This study examines how often inventions described in dissertations in chemical engineering, chemistry, physics, and mathematics are converted into U.S. patent applications, as well as the relationship between dissertation…

  13. Sol-Gel Application for Consolidating Stone: An Example of Project-Based Learning in a Physical Chemistry Lab

    ERIC Educational Resources Information Center

    de los Santos, Desiree´ M.; Montes, Antonio; Sa´nchez-Coronilla, Antonio; Navas, Javier

    2014-01-01

    A Project Based Learning (PBL) methodology was used in the practical laboratories of the Advanced Physical Chemistry department. The project type proposed simulates "real research" focusing on sol-gel synthesis and the application of the obtained sol as a stone consolidant. Students were divided into small groups (2 to 3 students) to…

  14. Rapid response radiation sensors for homeland security applications

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, Sanjoy; Maurer, Richard; Guss, Paul

    2014-09-01

    The National Security Technologies, LLC, Remote Sensing Laboratory is developing a rapid response radiation detection system for homeland security field applications. The intelligence-driven system is deployed only when non-radiological information about the target is verifiable. The survey area is often limited, so the detection range is small; in most cases covering a distance of 10 meters or less suffices. Definitive response is required in no more than 3 seconds and should minimize false negative alarms, but can err on the side of positive false alarms. The detection system is rapidly reconfigurable in terms of size, shape, and outer appearance; it is a plug-and-play system. Multiple radiation detection components (viz., two or more sodium iodide scintillators) are used to independently "over-determine" the existence of the threat object. Rapid response electronic dose rate meters are also included in the equipment suite. Carefully studied threat signatures are the basis of the decision making. The use of Rad-Detect predictive modeling provides information on the nature of the threat object. Rad-Detect provides accurate dose rate from heavily shielded large sources; for example those lost in Mexico were Category 1 radiation sources (~3,000 Ci of 60Co), the most dangerous of five categories defined by the International Atomic Energy Agency. Taken out of their shielding containers, Category 1 sources can kill anyone who is exposed to them at close range for a few minutes to an hour. Whenever possible sub-second data acquisition will be attempted, and, when deployed, the system will be characterized for false alarm rates. Although the radiation detection materials selected are fast (viz., faster scintillators), their speed is secondary to sensitivity, which is of primary importance. Results from these efforts will be discussed and demonstrated.

  15. Three Dimensional Atmospheric Radiative Transfer-Applications and Methods Comparison

    NASA Technical Reports Server (NTRS)

    Cahalan, Robert F.; Einaudi, Franco (Technical Monitor)

    2001-01-01

    We review applications of 3D radiative transfer in the atmosphere, emphasizing the wide spectrum of scales important to remote sensing and modeling of cloud fields, and the characteristic scales introduced into observed radiances and fluxes by the distribution of photon pathlengths at conservative and absorbing wavelengths. We define the "plane-parallel bias", which is a measure of the importance of 3D cloud structure in large-scale models, and the "independent pixel errors" that quantify the significance of 3D effects in remote sensing, and emphasize their relative magnitude and scale dependence. A variety of approaches in current use in 3D radiative transfer, and issues of speed, accuracy, and flexibility are summarized. We also describe a recently initiated "International Intercomparison of 3-Dimensional Radiation Codes", or I3RC. I3RC is a 3-phase effort that has as its goals to: (1) understand the errors and limits of 3D methods; (2) provide "baseline" cases for future 3D code development; (3) promote sharing of 3D tools; (4) derive guidelines for 3D tool selection; and (5) improve atmospheric science education in 3D radiative transfer. Selected results from Phases 1 and 2 of I3RC are discussed. These are taken from five cloud fields: a 1D field of bar clouds, a 2D radar-derived field, a 3D Landsat-derived field, a stratiform cloud from the model of C. Moeng, and a convective cloud from the model of B. Stevens. Computations have been carried out for three monochromatic wavelengths (one conservative, one absorptive, and one thermal) and two solar zenith angles (0, 60 degrees).

  16. Applications of Cherenkov Light Emission for Dosimetry in Radiation Therapy

    NASA Astrophysics Data System (ADS)

    Glaser, Adam Kenneth

    Since its discovery in the 1930's, the Cherenkov effect has been paramount in the development of high-energy physics research. It results in light emission from charged particles traveling faster than the local speed of light in a dielectric medium. The ability of this emitted light to describe a charged particle's trajectory, energy, velocity, and mass has allowed scientists to study subatomic particles, detect neutrinos, and explore the properties of interstellar matter. However, only recently has the phenomenon been considered in the practical context of medical physics and radiation therapy dosimetry, where Cherenkov light is induced by clinical x-ray photon, electron, and proton beams. To investigate the relationship between this phenomenon and dose deposition, a Monte Carlo plug-in was developed within the Geant4 architecture for medically-oriented simulations (GAMOS) to simulate radiation-induced optical emission in biological media. Using this simulation framework, it was determined that Cherenkov light emission may be well suited for radiation dosimetry of clinically used x-ray photon beams. To advance this application, several novel techniques were implemented to realize the maximum potential of the signal, such as time-gating for maximizing the signal to noise ratio (SNR) and Cherenkov-excited fluorescence for generating isotropic light release in water. Proof of concept experiments were conducted in water tanks to demonstrate the feasibility of the proposed method for two-dimensional (2D) projection imaging, three-dimensional (3D) parallel beam tomography, large field of view 3D cone beam tomography, and video-rate dynamic imaging of treatment plans for a number of common radiotherapy applications. The proposed dosimetry method was found to have a number of unique advantages, including but not limited to its non-invasive nature, water-equivalence, speed, high-resolution, ability to provide full 3D data, and potential to yield data in-vivo. Based on

  17. Development of new methods and polyphosphazene chemistries for advanced materials applications

    NASA Astrophysics Data System (ADS)

    Hindenlang, Mark D.

    The work described within this thesis focuses on the design, synthesis, and characterization of new phosphazenes with potential in advanced materials applications. Additionally, these unique polymers required the development of novel reaction methods or the investigation of new phosphazene chemistry to achieve their synthesis. Chapter 1 lays out some of the basic principles and fundamentals of polymer chemistry. Chapter 2 investigates the use of iodinated polyphosphazenes as x-ray opaque materials. Single-substituent polymers with 4-iodophenoxy or 4-iodophenylanaline ethyl ester units as the only side groups were prepared. Although a single-substitutent polymer with 3,5-diiodotyrosine ethyl ester groups was difficult to synthesize, probably because of steric hindrance, mixed-substituent polymers that contained the non-iodinated ethyl esters of glycyine, alanine, or phenylalanine plus a corresponding iodinated substituent, could be synthesized. Multinuclear NMR spectroscopy was used to follow the substitution of side groups onto the phosphazene back bone and judge the ratio of substituents. Chapter 3 details the initial investigation into 3,4-dihydroxy-L-phenylalanine ethyl ester and dopamine substituted polyphosphazenes that could be applied to a number of applications. L-DOPAEE was acetonide protected to prevent crosslinking reactions by the catechole functionality. Cyclic small molecule studies and macromolecular substitution reactions on the linear high polymer were conducted with the protected L-DOPA. Continuing studies into protection of the dopamine catechol have elucidated a viable method for the synthesis of amino-linked dopamine polymers. Chapter 4 describes a method for the synthesis of phosphazenes with quaternary amine complexes as potential antibacterial agents. Replacement reactions of pyridine alkoxides and chlorophosphazenes were first attempted at the small molecule level to study the reactivities of pyridine alkoxides. The formation of an

  18. Cumulative soil chemistry changes from land application of saline-sodic waters

    SciTech Connect

    Ganjegunte, G.K.; King, L.A.; Vance, G.F.

    2008-09-15

    Management of large volumes (60,000 ha-m) of co-production water associated with coal bed natural gas (CBNG) water extraction is a potential concern in the Powder River Basin (PRB) of Wyoming and Montana due to elevated water salinity and sodicity levels. Land application of saline-sodic CBNG water is a common water management method being practiced in the PRB, which can result in deterioration in soil quality. The objective of this study was to evaluate effects from 1 to 4 yr of land application with CBNG water on soil chemical properties at six study sites (fine to loamy, mixed to smectitic, mesic, Ustic Ardisols and Entisols) in the Wyoming PRB region. Changes in chemistry of soils collected from six depths irrigated with CBNG water were compared with representative non-irrigated soils. Applications of CBNG water significantly increased soil EC, SAR, and ESP values (up to 21, 74, and 24 times, respectively) compared with non-irrigated soils. Differences in soil chemical properties between an irrigated and non-irrigated coarse-textured soil were less than that of fine-textured soils, emphasizing texture as an important factor for salinity buildup. Pretreatment of CBNG water using a sulfur burner and application of gypsum and elemental S soil amendments reduced soil pH but did not prevent the build-up of salts and sodium. Study results suggest that current CBNG water management strategies are not as effective as projected. Additional research is needed to develop management strategies appropriate for mitigating adverse effects of CBNG water irrigation.

  19. Self-healing gels based on constitutional dynamic chemistry and their potential applications.

    PubMed

    Wei, Zhao; Yang, Jian Hai; Zhou, Jinxiong; Xu, Feng; Zrínyi, Miklós; Dussault, Patrick H; Osada, Yoshihito; Chen, Yong Mei

    2014-12-01

    As representative soft materials with widespread applications, gels with various functions have been developed. However, traditional gels are vulnerable to stress-induced formation of cracks. The propagation of these cracks may affect the integrity of network structures of gels, resulting in the loss of functionality and limiting the service life of the gels. To address this challenge, self-healing gels that can restore their functionalities and structures after damage have been developed as "smart" soft materials. In this paper, we present an overview of the current strategies for synthesizing self-healing gels based on the concept of constitutional dynamic chemistry, which involves molecular structures capable of establishing dynamic networks based upon physical interactions or chemical reactions. The characterization methods of self-healing gels and the key factors that affect self-healing properties are analyzed. We also illustrate the emerging applications of self-healing gels, with emphasis on their usage in industry (coatings, sealants) and biomedicine (tissue adhesives, agents for drug or cell delivery). We conclude with a perspective on challenges facing the field, along with prospects for future development. PMID:25144925

  20. A radiation-hardened, computer for satellite applications

    SciTech Connect

    Gaona, J.I. Jr.

    1996-08-01

    This paper describes high reliability radiation hardened computers built by Sandia for application aboard DOE satellite programs requiring 32 bit processing. The computers highlight a radiation hardened (10 kGy(Si)) R3000 executing up to 10 million reduced instruction set instructions (RISC) per second (MIPS), a dual purpose module control bus used for real-time default and power management which allows for extended mission operation on as little as 1.2 watts, and a local area network capable of 480 Mbits/s. The central processing unit (CPU) is the NASA Goddard R3000 nicknamed the ``Mongoose or Mongoose 1``. The Sandia Satellite Computer (SSC) uses Rational`s Ada compiler, debugger, operating system kernel, and enhanced floating point emulation library targeted at the Mongoose. The SSC gives Sandia the capability of processing complex types of spacecraft attitude determination and control algorithms and of modifying programmed control laws via ground command. And in general, SSC offers end users the ability to process data onboard the spacecraft that would normally have been sent to the ground which allows reconsideration of traditional space-grounded partitioning options.

  1. Application of the Spectral Element Method to Acoustic Radiation

    NASA Technical Reports Server (NTRS)

    Doyle, James F.; Rizzi, Stephen A. (Technical Monitor)

    2000-01-01

    This report summarizes research to develop a capability for analysis of interior noise in enclosed structures when acoustically excited by an external random source. Of particular interest was the application to the study of noise and vibration transmission in thin-walled structures as typified by aircraft fuselages. Three related topics are focused upon. The first concerns the development of a curved frame spectral element, the second shows how the spectral element method for wave propagation in folded plate structures is extended to problems involving curved segmented plates. These are of significance because by combining these curved spectral elements with previously presented flat spectral elements, the dynamic response of geometrically complex structures can be determined. The third topic shows how spectral elements, which incorporate the effect of fluid loading on the structure, are developed for analyzing acoustic radiation from dynamically loaded extended plates.

  2. Refinement, Application, and Evaluation of Cognitive and Affective Chemistry Measures for College Students

    ERIC Educational Resources Information Center

    Heredia, Keily

    2013-01-01

    This work describes three case studies conducted to address two major problems in the area of chemistry education research, the lack of reported psychometrics regarding instrument scores, and the need for well-characterized assessments to evaluate college chemistry curricula. The first case study describes a psychometric evaluation of the Colorado…

  3. Integrative Biological Chemistry Program Includes the Use of Informatics Tools, GIS and SAS Software Applications

    ERIC Educational Resources Information Center

    D'Souza, Malcolm J.; Kashmar, Richard J.; Hurst, Kent; Fiedler, Frank; Gross, Catherine E.; Deol, Jasbir K.; Wilson, Alora

    2015-01-01

    Wesley College is a private, primarily undergraduate minority-serving institution located in the historic district of Dover, Delaware (DE). The College recently revised its baccalaureate biological chemistry program requirements to include a one-semester Physical Chemistry for the Life Sciences course and project-based experiential learning…

  4. Investigation of Trends in Aerosol Direct Radiative Effects over North America Using a Coupled Meteorology-Chemistry Model

    EPA Science Inventory

    A comprehensive investigation of the processes regulating tropospheric aerosol distributions, their optical properties, and their radiative effects in conjunction with verification of their simulated radiative effects for past conditions relative to measurements is needed in orde...

  5. The effects of a technology-driven science application on postsecondary chemistry student achievement and self-efficacy

    NASA Astrophysics Data System (ADS)

    Byrum, Darrell Scott

    The purpose of this study was to establish if distinction exists in both student achievement and self-efficacy through the application of technology-based instructional approach in the laboratory environment of undergraduate chemistry courses. The achievement of 52 college students in the southeastern region of the United States was measured through one posttest assessment. Following this assessment, students were examined through a self-efficacy scale to determine preexisting thoughts of working in an undergraduate chemistry laboratory environment, as well as peer interaction. Accordingly, three separate college chemistry I courses were used to generate data via a nonequivalent control group design. From the three courses, one class was labeled as the treatment group, while the two remaining classes were collectively labeled as the control group. The treatment group was made up of 22 participants, while the control group was comprised of 30 participants. Students in both the control and treatment groups completed the same laboratory experiments; however, the control group used traditional methods for conducting the laboratory experiments while the treatment group implemented a technology-based approach. To measure achievement, data was gathered through the administration of the Conceptual Problems Gases Test (CPGT). Self-efficacy was measured through the College Chemistry Self-Efficacy Scale (CCSS). Results from both instruments were shown through independent samples t-tests; furthermore, as reflected by p values, the technology-driven application did not have a statistically significant difference on student achievement.

  6. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents chemistry experiments, laboratory procedures, demonstrations, and classroom materials/activities. These include: experiments on colloids, processing of uranium ore, action of heat on carbonates; color test for phenols and aromatic amines; solvent properties of non-electrolytes; stereoscopic applications/methods; a valency balance;…

  7. Balancing Chemical Reactions With Matrix Methods and Computer Assistance. Applications of Linear Algebra to Chemistry. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Unit 339.

    ERIC Educational Resources Information Center

    Grimaldi, Ralph P.

    This material was developed to provide an application of matrix mathematics in chemistry, and to show the concepts of linear independence and dependence in vector spaces of dimensions greater than three in a concrete setting. The techniques presented are not intended to be considered as replacements for such chemical methods as oxidation-reduction…

  8. Hydrogen sulfide (H2S) releasing agents: chemistry and biological applications.

    PubMed

    Zhao, Yu; Biggs, Tyler D; Xian, Ming

    2014-10-14

    Hydrogen sulfide (H2S) is a newly recognized signaling molecule with very potent cytoprotective actions. The fields of H2S physiology and pharmacology have been rapidly growing in recent years, but a number of fundamental issues must be addressed to advance our understanding of the biology and clinical potential of H2S in the future. Hydrogen sulfide releasing agents (also known as H2S donors) have been widely used in these fields. These compounds are not only useful research tools, but also potential therapeutic agents. It is therefore important to study the chemistry and pharmacology of exogenous H2S and to be aware of the limitations associated with the choice of donors used to generate H2S in vitro and in vivo. In this review we summarized the developments and limitations of currently available donors including H2S gas, sulfide salts, garlic-derived sulfur compounds, Lawesson's reagent/analogs, 1,2-dithiole-3-thiones, thiol-activated donors, photo-caged donors, and thioamino acids. Some biological applications of these donors were also discussed.

  9. Inferring Watershed Characteristics Using Records of Multi-decade Stream Chemistry Response to Road Salt Application

    NASA Astrophysics Data System (ADS)

    Shaw, S. B.; Marjerison, R. D.; Bouldin, D. R.; Walter, M.

    2009-05-01

    There are many observations of increasing chloride (Cl-) concentrations in streams with road salt applied in their watersheds. However, multi-decade stream Cl- data sets of seven watersheds in the northern U.S. show that some streams with road salt application have little increase in stream Cl-. Relative to streams with increasing Cl-, streams with no Cl- increase have more extensive glacial sand and gravel deposits in their watersheds. We speculate that these sand and gravel deposits provide a large dilution volume that creates a lag between solute inputs and outputs over a comparable time scale as the multi-decade Cl- monitoring record. We also show that systems with little increase in Cl- concentrations have relatively high baseflow, as deduced from a comparison of flow-duration curves. This work provides a link among solute transport behavior, physical watershed characteristics, and flow-duration curves, perhaps providing insights to improve predictions of solute retention and transport when no direct stream chemistry data are available.

  10. Hydrogen Sulfide (H2S) Releasing Agents: Chemistry and Biological Applications

    PubMed Central

    Zhao, Yu; Biggs, Tyler D.

    2014-01-01

    Hydrogen sulfide (H2S) is a newly recognized signaling molecule with very potent cytoprotective actions. The fields of H2S physiology and pharmacology have been rapidly growing in recent years, but a number of fundamental issues must be addressed to advance our understanding of the biology and clinical potential of H2S in the future. Hydrogen sulfide releasing agents (also known as H2S donors) have been widely used in the field. These compounds are not only useful research tools, but also potential therapeutic agents. It is therefore important to study the chemistry and pharmacology of exogenous H2S and to be aware of the limitations associated with the choice of donors used to generate H2S in vitro and in vivo. In this review we summarized the developments and limitations of current available donors including H2S gas, sulfide salts, garlic-derived sulfur compounds, Lawesson’s reagent/analogs, 1,2-dithiole-3-thiones, thiol-activated donors, photo-caged donors, and thioamino acids. Some biological applications of these donors were also discussed. PMID:25019301

  11. Some Properties of Poly(Methyl Methacrylate) Studied by Radiation Degradation: An Interdisciplinary Student Experiment.

    ERIC Educational Resources Information Center

    Hill, D. J. T.; O'Donnell, J. H.

    1981-01-01

    Describes an interdisciplinary student experiment based upon the radiation effects on polymers, integrating some of the fundamentals of radiation chemistry, polymer chemistry, and material science. Also demonstrates how the information gained in the experiment has direct commercial application in product manufacture or processing. (CS)

  12. Cold-spray ionization mass spectrometry: applications in structural coordination chemistry.

    PubMed

    Yamaguchi, Kentaro

    2013-01-01

    Electrospray ionization (ESI)-mass spectrometry (MS) is generally used for the characterization of labile supramolecules in which non-covalent bonding interactions are predominant. However, molecular ions are not detected in many cases because of their instability, and even if such ions are detected, thermal decomposition generates fragment ions that also appear in the mass spectrum. Cold-spray ionization (CSI) is designed for the MS detection of labile organic species. It is used to analyze the structures of biomolecular complexes and labile organic species in solution. The method, a variant of ESI-MS, operates at low temperature, allowing simple and precise characterization of labile non-covalent complexes that are difficult or impossible to observe by conventional MS techniques. The CSI method is particularly suitable for elucidating the structures of labile organometallic compounds in solution as it offers a means to investigate the dynamic behavior of unstable molecules and/or labile clusters in solution. Various labile organic compounds are analyzed by using the CSI method in the field of organic chemistry. CSI-MS is also used to investigate the behavior of aggregated steroid compounds, namely, bisguanidinobenzene-benzoic acid complexes, in solution. This method is a powerful tool for analyzing the equilibria of multiply linked self-assembling catenanes in solution. Its application to unstable and complex supramolecules will be shown. We have developed an effective ionization method that uses metal-complex-based ionization probes containing 2,6-bis(oxazolinyl) pyridine (pybox) ligands. Using this method, we were able to detect multiply charged ions of target molecules. This method was proven to effectively ionize large complex molecules, including biomolecules and various supramolecules, as well as carbon clusters, such as fullerenes. Moreover, isotope-labeled pybox-La complexes were used to clearly detect isotopic labeling shifts. Their applications to

  13. New developments in theoretical thermochemistry and electronic structure applications in supramolecular chemistry and cluster science

    NASA Astrophysics Data System (ADS)

    Ramabhadran, Raghunath Ozhapakkam

    In a concise display of the power and diversity of electronic structure theory (EST), the work presented herein involves the development of new computational methods to advance the practical utility of quantum chemistry, as well as solving different types of challenging chemical problems by applying existing EST tools. The research presented is highly interdisciplinary in nature and features synergistic collaborations to solve real-life problems such as regulating toxic chemicals and generating alternative sources of energy. In the first chapter of this dissertation, the solution to a long-standing problem in theoretical thermochemistry is accomplished by the development of the automated, chemically intuitive and generalized thermochemical hierarchy, Connectivity-Based Hierarchy (CBH) to accurately predict the thermochemical properties of organic molecules. The extension of the hierarchy to predict the enthalpies of formations of biomonomers such as amino acids is also presented. The development of a computationally efficient protocol to accurately extrapolate to high CCSD(T) energies based on MP2 and DFT energies using CBH is presented in the second chapter, thus merging theoretical thermochemistry with fragment-based methods in quantum chemistry. This merger drastically reduces the computational cost involved in a CCSD(T) calculation, while retaining the impeccable accuracy it offers. The practical utility of the CH hydrogen bond, commonly thought as being too weak to be used in supramolecular applications has been demonstrated by DFT calculations (along with experimental results from the Flood group) in the third chapter. This is accomplished by systematically studying the binding of monoatomic chloride, diatomic and toxic cyanide and the polyatomic bi-fluoride anions for the first time using only CH hydrogen bonds within a triazolophane macrocycle. The fourth chapter contains the introduction of the concept of fluxionality in the chemical reactions of

  14. Polymer Chemistry

    NASA Technical Reports Server (NTRS)

    Williams, Martha; Roberson, Luke; Caraccio, Anne

    2010-01-01

    This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.

  15. Application of radiation processing in asia and the pacific region: Focus on malaysia

    NASA Astrophysics Data System (ADS)

    Mohd Dahlan, Khairul Zaman HJ.

    1995-09-01

    Applications of radiation processing in Malaysia and other developing countries in Asia and the Pacific region is increasing as the countries move toward industrialisation. At present, there are more than 85 gamma facilities and 334 electron accelerators in Asia and the Pacific region which are mainly in Japan, Rep. of Korea and China. The main applications which are in the interest of the region are radiation sterilisation of medical products; radiation crosslinking of wire and cable, heat shrinkable film and tube, and foam; radiation curing of surface coatings, printing inks and adhesive; radiation vulcanisation of natural rubber latex; radiation processing of agro-industrial waste; radiation treatment of sewage sludge and municipal waste; food irradiation; tissue grafts and radiation synthesis of bioactive materials.

  16. Application of Interval Predictor Models to Space Radiation Shielding

    NASA Technical Reports Server (NTRS)

    Crespo, Luis G.; Kenny, Sean P.; Giesy,Daniel P.; Norman, Ryan B.; Blattnig, Steve R.

    2016-01-01

    This paper develops techniques for predicting the uncertainty range of an output variable given input-output data. These models are called Interval Predictor Models (IPM) because they yield an interval valued function of the input. This paper develops IPMs having a radial basis structure. This structure enables the formal description of (i) the uncertainty in the models parameters, (ii) the predicted output interval, and (iii) the probability that a future observation would fall in such an interval. In contrast to other metamodeling techniques, this probabilistic certi cate of correctness does not require making any assumptions on the structure of the mechanism from which data are drawn. Optimization-based strategies for calculating IPMs having minimal spread while containing all the data are developed. Constraints for bounding the minimum interval spread over the continuum of inputs, regulating the IPMs variation/oscillation, and centering its spread about a target point, are used to prevent data over tting. Furthermore, we develop an approach for using expert opinion during extrapolation. This metamodeling technique is illustrated using a radiation shielding application for space exploration. In this application, we use IPMs to describe the error incurred in predicting the ux of particles resulting from the interaction between a high-energy incident beam and a target.

  17. High permittivity patch radiator for single and multi-element hyperthermia applicators.

    PubMed

    Andreuccetti, D; Bini, M; Ignesti, A; Olmi, R; Priori, S; Vanni, R

    1993-07-01

    This paper describes a compact, low-profile patch radiator which is the base element for efficient, small-size applicators suitable for superficial hyperthermia. The design criteria and the technological processes involved are presented. The electromagnetic characteristics of the patch element are outlined, and possible application of the radiator are discussed.

  18. Influences of dust aerosols on regional aerosol optical properties, radiation budget and tropospheric chemistry during a typical pre-monsoon season dust storm in northern India

    NASA Astrophysics Data System (ADS)

    Kumar, R.; Barth, M. C.; Madronich, S.; Naja, M. K.; Carmichael, G. R.; Pfister, G.; Knote, C. J.; Brasseur, G. P.; Ojha, N.; Sarangi, T.

    2013-12-01

    The effects of dust aerosols on the regional aerosol optical properties, radiation budget and tropospheric chemistry during a typical pre-monsoon season (April-June) dust storm event in northern India are analyzed. The MOZCART chemical mechanism of WRF-Chem is extended to simulate heterogeneous chemistry on dust surface and F-TUV photolysis scheme is updated to account for effects of dust aerosols on photolysis rates. The dust storm event lasted from 17 to 22 April 2010 and large changes (>50%) in local to regional scale aerosol optical properties are observed in both AERONET and satellite observations during this period. The extended version of WRF-Chem model captured several important features of the spatio-temporal distributions of dust plumes, aerosol optical properties and trace gases during the dust storm. Model results show that dust particles cool the surface and the top of the atmosphere, and warm the atmosphere. The regionally averaged radiative perturbation due to dust aerosols is estimated as -2.0×3.0 W m-2 at the top of the atmosphere, 2.3×1.8 W m-2 in the atmosphere and -4.4×3.1 W m-2 at the surface. The impact of these radiative perturbations on the surface energy budget is estimated to be small on a regional scale but significant locally. The dust storm acted as a sink for many key trace gases including ozone, nitrogen oxides, hydrogen oxides, methanol, acetic acid and formaldehyde, and significantly perturbed their spatial and vertical distributions. The reductions in these gases are estimated as 5-99% and more than 80% of this reduction came from the heterogeneous chemistry. The RH dependence of reactive uptake coefficient is found to have a significant impact on the distributions of trace gases. A set of sensitivity analyses revealed that dust aging can play an important role in heterogeneous chemistry. Model experiments based on laboratory measurements of changes in the uptake of ozone by dust with aging showed that dust aging can lead to

  19. EFFECT OF BIOSOLIDS APPLICATION ON SOIL METAL CHEMISTRY AND PHYTOAVAILABILITY (LAKE BUENA VISTA, FL)

    EPA Science Inventory

    Addition of biosolids to soils increases the environmental loading of toxic metals (Cd, Zn, Cu, Ni, Pb, etc.) and alters the chemistry and phytoavailability of these metals. This alteration in phytoavailability associated with biosolids amended soil was recognized and utilized ...

  20. Applications of biocatalysis in fragrance chemistry: the enantiomers of alpha-, beta-, and gamma-irones.

    PubMed

    Brenna, Elisabetta; Fuganti, Claudio; Serra, Stefano

    2008-11-01

    The history of iris extracts, and of the isolation and enzyme-mediated synthesis of their odoriferous principle, the "irones", will be used to describe the improvement brought about by chemistry and biocatalysis in the development of natural fragrances. In particular, this tutorial review will discuss how the progress in the field of enzyme chemistry allowed the optimisation of accelerated procedures for the preparation of natural irone extracts, and the synthesis of all the ten isomers of irone, starting from commercial irone alpha.

  1. The flow synthesis of heterocycles for natural product and medicinal chemistry applications.

    PubMed

    Baumann, Marcus; Baxendale, Ian R; Ley, Steven V

    2011-08-01

    This article represents an overview of recent research from the Innovative Technology Centre in the field of flow chemistry which was presented at the FROST2 meeting in Budapest in October 2009. After a short introduction of this rapidly expanding field, we discuss some of our results with a main focus on the synthesis of heterocyclic compounds which we use in various natural product and medicinal chemistry programmes.

  2. SPARTA - Solver for Polarized Atmospheric Radiative Transfer Applications: Introduction and application to Saharan dust fields

    NASA Astrophysics Data System (ADS)

    Barlakas, Vasileios; Macke, Andreas; Wendisch, Manfred

    2016-07-01

    Non-spherical particles in the atmosphere absorb and scatter solar radiation. They change the polarization state of solar radiation depending on their shape, size, chemical composition and orientation. To quantify polarization effects, a new three-dimensional (3D) vector radiative transfer model, SPARTA (Solver for Polarized Atmospheric Radiative Transfer Applications) is introduced and validated against benchmark results. SPARTA employs the statistical forward Monte Carlo technique for efficient column-response pixel-based radiance calculations including polarization for 3D inhomogeneous cloudless and cloudy atmospheres. A sensitivity study has been carried out and exemplarily results are presented for two lidar-based mineral dust fields. The scattering and absorption properties of the dust particles have been computed for spheroids and irregular shaped particles. Polarized radiance fields in two-dimensional (2D) and one-dimensional (1D) inhomogeneous Saharan dust fields have been calculated at 532 nm wavelength. The domain-averaged results of the normalized reflected radiance are almost identical for the 1D and 2D modes. In the areas with large spatial gradient in optical thickness with expected significant horizontal photon transport, the radiance fields of the 2D mode differ by about ±12% for the first Stokes component (radiance, I) and ±8% for the second Stokes component (linear polarization, Q) from the fields of the 1D mode.

  3. Development and validation of chemistry agnostic flow battery cost performance model and application to nonaqueous electrolyte systems: Chemistry agnostic flow battery cost performance model

    SciTech Connect

    Crawford, Alasdair; Thomsen, Edwin; Reed, David; Stephenson, David; Sprenkle, Vincent; Liu, Jun; Viswanathan, Vilayanur

    2016-01-01

    A chemistry agnostic cost performance model is described for a nonaqueous flow battery. The model predicts flow battery performance by estimating the active reaction zone thickness at each electrode as a function of current density, state of charge, and flow rate using measured data for electrode kinetics, electrolyte conductivity, and electrode-specific surface area. Validation of the model is conducted using a 4kW stack data at various current densities and flow rates. This model is used to estimate the performance of a nonaqueous flow battery with electrode and electrolyte properties used from the literature. The optimized cost for this system is estimated for various power and energy levels using component costs provided by vendors. The model allows optimization of design parameters such as electrode thickness, area, flow path design, and operating parameters such as power density, flow rate, and operating SOC range for various application duty cycles. A parametric analysis is done to identify components and electrode/electrolyte properties with the highest impact on system cost for various application durations. A pathway to 100$kWh-1 for the storage system is identified.

  4. “Modeling Trends in Aerosol Direct Radiative Effects over the Northern Hemisphere using a Coupled Meteorology-Chemistry Model”

    EPA Science Inventory

    While aerosol radiative effects have been recognized as some of the largest sources of uncertainty among the forcers of climate change, the verification of the spatial and temporal variability of the magnitude and directionality of aerosol radiative forcing has remained challengi...

  5. Applications of amorphous track models in radiation biology

    NASA Technical Reports Server (NTRS)

    Cucinotta, F. A.; Nikjoo, H.; Goodhead, D. T.; Wilson, J. W. (Principal Investigator)

    1999-01-01

    The average or amorphous track model uses the response of a system to gamma-rays and the radial distribution of dose about an ion's path to describe survival and other cellular endpoints from proton, heavy ion, and neutron irradiation. This model has been used for over 30 years to successfully fit many radiobiology data sets. We review several extensions of this approach that address objections to the original model, and consider applications of interest in radiobiology and space radiation risk assessment. In the light of present views of important cellular targets, the role of target size as manifested through the relative contributions from ion-kill (intra-track) and gamma-kill (inter-track) remains a critical question in understanding the success of the amorphous track model. Several variations of the amorphous model are discussed, including ones that consider the radial distribution of event-sizes rather than average electron dose, damage clusters rather than multiple targets, and a role for repair or damage processing.

  6. A new application of click chemistry in situ: development of fluorescent probe for specific G-quadruplex topology

    PubMed Central

    Hu, Ming-Hao; Chen, Xiao; Chen, Shuo-Bin; Ou, Tian-Miao; Yao, Meicun; Gu, Lian-Quan; Huang, Zhi-Shu; Tan, Jia-Heng

    2015-01-01

    Target-guided synthesis is an approach to drug discovery that allows the target to self-assemble its own binding agents. So far, target-guided synthesis and especially in situ click chemistry have attracted extensive attention and have led to the identification of highly potent inhibitors for proteins. In this study, we expand the application of in situ click chemistry and present a procedure using this approach to identify selective fluorescent probes for a specific topology of G-quadruplex nucleic acids, the parallel G-quadruplexes. On this basis, compound 15 assembled by triarylimidazole scaffold and carboxyl side chain was a positive hit, demonstrating highly potential in the sensitive and selective detection of parallel G-quadruplexes. Such selective fluorescence response can be rationalized in terms of different binding affinities between 15 and G-quadruplexes. Our work accordingly represents a new development towards the application of in situ click chemistry to develop selective fluorescent probes and may also shed light on the search for probes for a specific G-quadruplex topology. PMID:26603780

  7. Refinement, Application, and Evaluation of Cognitive and Affective Chemistry Measures for College Students

    NASA Astrophysics Data System (ADS)

    Heredia, Keily

    This work describes three case studies conducted to address two major problems in the area of chemistry education research, the lack of reported psychometrics regarding instrument scores, and the need for well-characterized assessments to evaluate college chemistry curricula. The first case study describes a psychometric evaluation of the Colorado Learning Attitudes about Science Survey (CLASS), an instrument designed to assess student beliefs about the learning of chemistry. Results from this work suggest that the CLASS instrument provides fertile ground for short instruments with reasonable psychometric properties. Responses to a single scale instrument, created from CLASS, showed that students in an introductory general chemistry course tend to be slightly more expert-like than novice-like in their beliefs about chemistry towards the end of the semester. The second case study discusses the use of a two-tier diagnostic instrument in assessing student understanding of the particulate nature of matter and chemical bonding. In addition to examining psychometric properties of the instrument's scores, this study uses student responses to think about the role of a preparatory chemistry course in promoting understanding of the measured concepts. Results of this study showed that the performance of students with the preparatory chemistry course was slightly better than those without it. The third case study focuses on the development of the Targeted Misconception Inventory (TMI), a two-tier instrument designed to measure student understanding of Bond Energy, Ionic, Bonding, and Phase Changes. The TMI was used to create an instructional intervention. Results from the intervention suggested a learning gain for Bond Energy concept. The three instruments discussed above were multiple-choice given as paper and pencil tests in an introductory chemistry course. The work described in this dissertation showcase a method for examining psychometric evidence. The three case studies

  8. An intermetallic forming steel under radiation for nuclear applications

    NASA Astrophysics Data System (ADS)

    Hofer, C.; Stergar, E.; Maloy, S. A.; Wang, Y. Q.; Hosemann, P.

    2015-03-01

    In this work we investigated the formation and stability of intermetallics formed in a maraging steel PH 13-8 Mo under proton radiation up to 2 dpa utilizing nanoindentation, microcompression testing and atom probe tomography. A comprehensive discussion analyzing the findings utilizing rate theory is introduced, comparing the aging process to radiation induced diffusion. New findings of radiation induced segregation of undersize solute atoms (Si) towards the precipitates are considered.

  9. Application of ray tracing in radiation heat transfer

    NASA Technical Reports Server (NTRS)

    Baumeister, Joseph F.

    1993-01-01

    This collection of presentation figures displays the capabilities of ray tracing for radiation propagation calculations as compared to an analytical approach. The goal is to introduce the terminology and solution process used in ray tracing, and provide insight into radiation heat transfer principles and analysis tools. A thermal analysis working environment is introduced that solves demanding radiation heat transfer problems based on ray tracing. This information may serve as a reference for designing and building ones own analysis environment.

  10. Radiation Transport Computation in Stochastic Media: Method and Application

    NASA Astrophysics Data System (ADS)

    Liang, Chao

    Stochastic media, characterized by the stochastic distribution of inclusions in a background medium, are typical radiation transport media encountered in natural or engineering systems. In the community of radiation transport computation, there is always a demand of accurate and efficient methods that can account for the nature of the stochastic distribution. In this dissertation, we focus on methodology development for the radiation transport computation that is applied to neutronic analyses of nuclear reactor designs characterized by the stochastic distribution of particle fuel. Reactor concepts with the employment of a fuel design consisting of a random heterogeneous mixture of fissile material and non-fissile moderator are constantly proposed. Key physical quantities such as core criticality and power distribution, reactivity control design parameters, depletion and fuel burn-up need to be carefully evaluated. In order to meet these practical requirements, we first need to develop accurate and fast computational methods that can effectively account for the stochastic nature of double heterogeneity configuration. A Monte Carlo based method called Chord Length Sampling (CLS) method is considered to be a promising method for analyzing those TRISO-type fueled reactors. Although the CLS method has been proposed for more than two decades and much research has been conducted to enhance its applicability, further efforts are still needed to address some key research gaps that exist for the CLS method. (1) There is a general lack of thorough investigation of the factors that give rise to the inaccuracy of the CLS method found by many researchers. The accuracy of the CLS method depends on the optical and geometric properties of the system. In some specific scenarios, considerable inaccuracies have been reported. However, no research has been providing a clear interpretation of the reasons responsible for the inaccuracy in the reported scenarios. Furthermore, no any

  11. Novel detection schemes of nuclear magnetic resonance and magnetic resonance imaging: applications from analytical chemistry to molecular sensors.

    PubMed

    Harel, Elad; Schröder, Leif; Xu, Shoujun

    2008-01-01

    Nuclear magnetic resonance (NMR) is a well-established analytical technique in chemistry. The ability to precisely control the nuclear spin interactions that give rise to the NMR phenomenon has led to revolutionary advances in fields as diverse as protein structure determination and medical diagnosis. Here, we discuss methods for increasing the sensitivity of magnetic resonance experiments, moving away from the paradigm of traditional NMR by separating the encoding and detection steps of the experiment. This added flexibility allows for diverse applications ranging from lab-on-a-chip flow imaging and biological sensors to optical detection of magnetic resonance imaging at low magnetic fields. We aim to compare and discuss various approaches for a host of problems in material science, biology, and physics that differ from the high-field methods routinely used in analytical chemistry and medical imaging.

  12. The application of "click chemistry" for the decoration of 2(1H)-pyrazinone scaffold: generation of templates.

    PubMed

    Kaval, Nadya; Ermolat'ev, Denis; Appukkuttan, Prasad; Dehaen, Wim; Kappe, C Oliver; Van der Eycken, Erik

    2005-01-01

    The "click chemistry" approach has been explored on the 2-(1H)-pyrazinone scaffold for the generation of pharmacologically interesting heterocyclic moieties. Huisgen 1,3-dipolar cycloaddition has been evaluated as the key step for the construction of the 1,2,3-triazole ring at the C-3 position of 2-(1H)-pyrazinones. Two different pathways have been successfully evaluated: (1) via C-C or C-O linkage of the acetylenic part to the C-3 position of the 2-(1H)-pyrazinone scaffold or (2) via azide introduction in the C-3 position. The subsequent application of "click chemistry" resulted in the formation of hitherto unknown skeletons. Microwave irradiation has successfully been applied in different steps of the sequence.

  13. Application of Monte Carlo methods in tomotherapy and radiation biophysics

    NASA Astrophysics Data System (ADS)

    Hsiao, Ya-Yun

    Helical tomotherapy is an attractive treatment for cancer therapy because highly conformal dose distributions can be achieved while the on-board megavoltage CT provides simultaneous images for accurate patient positioning. The convolution/superposition (C/S) dose calculation methods typically used for Tomotherapy treatment planning may overestimate skin (superficial) doses by 3-13%. Although more accurate than C/S methods, Monte Carlo (MC) simulations are too slow for routine clinical treatment planning. However, the computational requirements of MC can be reduced by developing a source model for the parts of the accelerator that do not change from patient to patient. This source model then becomes the starting point for additional simulations of the penetration of radiation through patient. In the first section of this dissertation, a source model for a helical tomotherapy is constructed by condensing information from MC simulations into series of analytical formulas. The MC calculated percentage depth dose and beam profiles computed using the source model agree within 2% of measurements for a wide range of field sizes, which suggests that the proposed source model provides an adequate representation of the tomotherapy head for dose calculations. Monte Carlo methods are a versatile technique for simulating many physical, chemical and biological processes. In the second major of this thesis, a new methodology is developed to simulate of the induction of DNA damage by low-energy photons. First, the PENELOPE Monte Carlo radiation transport code is used to estimate the spectrum of initial electrons produced by photons. The initial spectrum of electrons are then combined with DNA damage yields for monoenergetic electrons from the fast Monte Carlo damage simulation (MCDS) developed earlier by Semenenko and Stewart (Purdue University). Single- and double-strand break yields predicted by the proposed methodology are in good agreement (1%) with the results of published

  14. Remote radiation sensing module based on a silicon photomultiplier for industrial applications.

    PubMed

    Park, Hye Min; Joo, Koan Sik

    2016-09-01

    We have designed a silicon-photomultiplier-based remote radiation-sensing module consisting of a master port (displaying radiation information) and a slave port (detects radiation, transmits to master). The master port merges radiation and dose values and displays them. Counting detection efficiency and radiation response simulated using MCNPX were used to calibrate the module. We performed radioactive source tests ((137)Cs, (22)Na, (60)Co, (55)Fe) and compared experimental and simulation results. Remote detection capability was demonstrated and the detection accuracy was determined. Applications abound in the radioactivity industry. PMID:27295513

  15. Remote radiation sensing module based on a silicon photomultiplier for industrial applications.

    PubMed

    Park, Hye Min; Joo, Koan Sik

    2016-09-01

    We have designed a silicon-photomultiplier-based remote radiation-sensing module consisting of a master port (displaying radiation information) and a slave port (detects radiation, transmits to master). The master port merges radiation and dose values and displays them. Counting detection efficiency and radiation response simulated using MCNPX were used to calibrate the module. We performed radioactive source tests ((137)Cs, (22)Na, (60)Co, (55)Fe) and compared experimental and simulation results. Remote detection capability was demonstrated and the detection accuracy was determined. Applications abound in the radioactivity industry.

  16. Direct Radiative Forcing and Regional Climatic Effects of Anthropogenic Aerosols Over East Asia: A Regional Coupled Climate-Chemistry/Aerosol Model Study

    SciTech Connect

    Giorgi, Filippo; Bi, Xunqiang; Qian, Yun )

    2002-09-01

    We present a series of regional climate model simulations aimed at assessing the radiative forcing and surface climatic effects of anthropogenic sulfate and fossil fuel soot over east Asia. The simulations are carried out with a coupled regional climate-chemistry/aerosol model for the 5-year period of 1993-1997 using published estimates of sulfur emissions for the period. Anthropogenic sulfate induces a negative radiative forcing spatially varying from -1 to -8 W/m2 in the winter to -1 to -15 W/m2 in the summer, with maxima over the Sichan Basin of southwest China and over some areas of east and northeast China. This forcing induces a surface cooling in the range of -0.1 to -0.7 K. Fossil fuel soot exerts a positive atmospheric radiative forcing of 0.5 to 2 W/m2 and enhances the surface cooling by a few tenths of K due to increased surface shielding from solar radiation. Doubling of sulfur emissions induces a substantial increase in radiative forcing (up to -7 to -8 W/m2) and associated surface cooling. With doubled sulfur emissions, the surface cooling exceeds -1 K and is statistically significant at the 90% confidence level over various areas of China. The aerosol forcing and surface cooling tend to inhibit precipitation over the region, although this effect is relatively small in the simulations. Some features of the simulated aerosol-induced cooling are consistent with temperature trends observed in recent decades over different regions of China.

  17. Use of Chloroisocyanuarates for Disinfection of Water: Application of Miscellaneous General Chemistry Topics

    NASA Astrophysics Data System (ADS)

    Pinto, Gabriel; Rohrig, Brian

    2003-01-01

    This paper presents a set of motivating exercises to study various general chemistry topics such as formulation, molar mass, stoichiometry, chemical equations, balanced equations, oxidation states, acid base reactions, tautomerism, calculation of formal charges, resonance, chlorinating agents, and the use of chlorine for disinfecting water. These topics can be studied in part through the information found on the labels of chloroisocyanurates, such as sodium dichloroisocyanurate (anhydrous and dihydrate) and trichloroisocyanuric acid, which are used for disinfecting water. Both compounds are readily available as consumer products. The holistic approach presented in this article allows students to focus on the versatility of the general chemistry concepts.

  18. Oxygen chemistry in biology: Vibrational spectroscopy, stable isotopes, and future applications

    SciTech Connect

    Babcock, G.T.

    1994-12-01

    Dioxygen is an ideally suited substrate for enzymatic manipulation in oxidation-reduction chemistry and in substrate transformation. It is a powerful oxidant with a midpoint potential of 0.815 at neutral pH; at the same time, however, it exists in a triplet state in its most stable electronic configuration. This latter property confers kinetic inertness as a result of spin-conservation restrictions on reaction chemistry. If these restrictions can be overcome and controlled, dioxygen`s high redox potential can be used to maximize efficiency in free-energy conversion processes and to effect activation of relatively inert substrates.

  19. Impact of UV-A radiation on the performance of aphids and whiteflies and on the leaf chemistry of their host plants.

    PubMed

    Dáder, Beatriz; Gwynn-Jones, Dylan; Moreno, Aránzazu; Winters, Ana; Fereres, Alberto

    2014-09-01

    Ultraviolet (UV) radiation directly regulates a multitude of herbivore life processes, in addition to indirectly affecting insect success via changes in plant chemistry and morphogenesis. Here we looked at plant and insect (aphid and whitefly) exposure to supplemental UV-A radiation in the glasshouse environment and investigated effects on insect population growth. Glasshouse grown peppers and eggplants were grown from seed inside cages covered by novel plastic filters, one transparent and the other opaque to UV-A radiation. At a 10-true leaf stage for peppers (53 days) and 4-true leaf stage for eggplants (34 days), plants were harvested for chemical analysis and infested by aphids and whiteflies, respectively. Clip-cages were used to introduce and monitor the insect fitness and populations of the pests studied. Insect pre-reproductive period, fecundity, fertility and intrinsic rate of natural increase were assessed. Crop growth was monitored weekly for 7 and 12 weeks throughout the crop cycle of peppers and eggplants, respectively. At the end of the insect fitness experiment, plants were harvested (68 days and 18-true leaf stage for peppers, and 104 days and 12-true leaf stage for eggplants) and leaves analysed for secondary metabolites, soluble carbohydrates, amino acids, total proteins and photosynthetic pigments. Our results demonstrate for the first time, that UV-A modulates plant chemistry with implications for insect pests. Both plant species responded directly to UV-A by producing shorter stems but this effect was only significant in pepper whilst UV-A did not affect the leaf area of either species. Importantly, in pepper, the UV-A treated plants contained higher contents of secondary metabolites, leaf soluble carbohydrates, free amino acids and total content of protein. Such changes in tissue chemistry may have indirectly promoted aphid performance. For eggplants, chlorophylls a and b, and carotenoid levels decreased with supplemental UV-A over the entire

  20. Impact of UV-A radiation on the performance of aphids and whiteflies and on the leaf chemistry of their host plants.

    PubMed

    Dáder, Beatriz; Gwynn-Jones, Dylan; Moreno, Aránzazu; Winters, Ana; Fereres, Alberto

    2014-09-01

    Ultraviolet (UV) radiation directly regulates a multitude of herbivore life processes, in addition to indirectly affecting insect success via changes in plant chemistry and morphogenesis. Here we looked at plant and insect (aphid and whitefly) exposure to supplemental UV-A radiation in the glasshouse environment and investigated effects on insect population growth. Glasshouse grown peppers and eggplants were grown from seed inside cages covered by novel plastic filters, one transparent and the other opaque to UV-A radiation. At a 10-true leaf stage for peppers (53 days) and 4-true leaf stage for eggplants (34 days), plants were harvested for chemical analysis and infested by aphids and whiteflies, respectively. Clip-cages were used to introduce and monitor the insect fitness and populations of the pests studied. Insect pre-reproductive period, fecundity, fertility and intrinsic rate of natural increase were assessed. Crop growth was monitored weekly for 7 and 12 weeks throughout the crop cycle of peppers and eggplants, respectively. At the end of the insect fitness experiment, plants were harvested (68 days and 18-true leaf stage for peppers, and 104 days and 12-true leaf stage for eggplants) and leaves analysed for secondary metabolites, soluble carbohydrates, amino acids, total proteins and photosynthetic pigments. Our results demonstrate for the first time, that UV-A modulates plant chemistry with implications for insect pests. Both plant species responded directly to UV-A by producing shorter stems but this effect was only significant in pepper whilst UV-A did not affect the leaf area of either species. Importantly, in pepper, the UV-A treated plants contained higher contents of secondary metabolites, leaf soluble carbohydrates, free amino acids and total content of protein. Such changes in tissue chemistry may have indirectly promoted aphid performance. For eggplants, chlorophylls a and b, and carotenoid levels decreased with supplemental UV-A over the entire

  1. Prediction of radiative heat transfer using multi-flux method in space application

    NASA Astrophysics Data System (ADS)

    Han, Cho Young

    2015-10-01

    Interaction between fluid flow and thermal radiation has received considerable attention due to its numerous applications in engineering field including space applications. To analyse the radiation heat transfer in a radiating fluid, the simultaneous solution of the radiation transfer equation (RTE) and the fluid dynamics equations is required. This means that the numerical procedure used for the RTE must be computationally efficient to permit its inclusion in the other submodels, and must be compatible with the other transport equations. In this context the finite volume method (FVM) and the discrete ordinates method (DOM) are usually being incorporated to simulate radiation problems with curvilinear coordinates. In this paper these two representative methods are examined and compared, especially in terms of the directional dependence of radiation intensity due to the discrete division of a solid angle. The FVM shows more reasonable results than the DOM does, as it has less constraint on the angular discretisation.

  2. A Review of Literature Reports of Clickers Applicable to College Chemistry Classrooms

    ERIC Educational Resources Information Center

    MacArthur, James R.; Jones, Loretta L.

    2008-01-01

    The use of clickers (also referred to as Audience Paced Feedback, Classroom Communication Systems, Personal Response Systems, Electronic Voting Systems, Student Response Systems, Audience Response Systems, voting-machines, and zappers) has grown in college chemistry classrooms within the last decade. This review summarizes the pedagogic…

  3. Microwave-Assisted Chemistry: Synthetic Applications for Rapid Assembly of Nanomaterials and Organics

    EPA Science Inventory

    The magic of microwave (MW) heating technique, termed as the Bunsen burner of the 21th Century, has emerged as valuable alternative in synthesis of organics, polymers, inorganics, and nanomaterials. Important innovations in MW-assisted chemistry now enable chemists to prepare cat...

  4. Application of Calibrated Peer Review (CPR) Writing Assignments to Enhance Experiments with an Environmental Chemistry Focus

    ERIC Educational Resources Information Center

    Margerum, Lawrence D.; Gulsrud, Maren; Manlapez, Ronald; Rebong, Rachelle; Love, Austin

    2007-01-01

    The browser-based software program, Calibrated Peer Review (CPR) developed by the Molecular Science Project enables instructors to create structured writing assignments in which students learn by writing and reading for content. Though the CPR project covers only one experiment in general chemistry, it might provide lab instructors with a method…

  5. STRATEGIES FOR GREEN REACTION CHEMISTRIES: APPLICATION OF GREEN CATALYSIS AND PROCESS INTENSIFICATION

    EPA Science Inventory

    An intramural research effort within the Sustainable Technology Division (STD) is focused on the development of novel technologies for the synthesis of chemicals in a green and sustainable manner. To extend on the scope of green chemistry, this research also incorporates enginee...

  6. The Application of FLUKA to Dosimetry and Radiation Therapy

    NASA Technical Reports Server (NTRS)

    Wilson, Thomas L.; Andersen, Victor; Pinsky, Lawrence; Ferrari, Alfredo; Battistoni, Giusenni

    2005-01-01

    Monte Carlo transport codes like FLUKA are useful for many purposes, and one of those is the simulation of the effects of radiation traversing the human body. In particular, radiation has been used in cancer therapy for a long time, and recently this has been extended to include heavy ion particle beams. The advent of this particular type of therapy has led to the need for increased capabilities in the transport codes used to simulate the detailed nature of the treatment doses to the Y O U S tissues that are encountered. This capability is also of interest to NASA because of the nature of the radiation environment in space.[l] While in space, the crew members bodies are continually being traversed by virtually all forms of radiation. In assessing the risk that this exposure causes, heavy ions are of primary importance. These arise both from the primary external space radiation itself, as well as fragments that result from interactions during the traversal of that radiation through any intervening material including intervening body tissue itself. Thus the capability to characterize the details of the radiation field accurately within a human body subjected to such external 'beams" is of critical importance.

  7. Moderate Image Spectrometer (MODIS) Fire Radiative Energy: Physics and Applications

    NASA Technical Reports Server (NTRS)

    Kaufman, Y.

    2004-01-01

    MODIS fire channel does not saturate in the presence of fires. The fire channel therefore is used to estimate the fire radiative energy, a measure of the rate of biomass consumption in the fire. We found correlation between the fire radiative energy, the rate of formation of burn scars and the rate of emission of aerosol from the fires. Others found correlations between the fire radiative energy and the rate of biomass consumption. This relationships can be used to estimates the emissions from the fires and to estimate the fire hazards.

  8. Acceptability of risk from radiation: Application to human space flight

    SciTech Connect

    1997-04-30

    This one of NASA`s sponsored activities of the NCRP. In 1983, NASA asked NCRP to examine radiation risks in space and to make recommendations about career radiation limits for astronauts (with cancer considered as the principal risk). In conjunction with that effort, NCRP was asked to convene this symposium; objective is to examine the technical, strategic, and philosophical issues pertaining to acceptable risk and radiation in space. Nine papers are included together with panel discussions and a summary. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database.

  9. Applications of dynamic nuclear polarization to the study of reactions and reagents in organic and biomolecular chemistry.

    PubMed

    Hilty, Christian; Bowen, Sean

    2010-08-01

    Nuclear Magnetic Resonance (NMR) is an important spectroscopic tool for the identification and structural characterization of molecules in chemistry and biochemistry. The most significant limitation of NMR compared to other spectroscopies is its relatively low sensitivity, which thus often requires long measurement times or large amounts of sample. A way of increasing sensitivity of single scan NMR spectra by several orders of magnitude is through hyperpolarization of nuclear spins. Dynamic nuclear polarization allows hyperpolarization of most spins in small molecules encountered in chemistry and biochemistry. NMR spectra of small amounts of samples from natural source, or from chemical synthesis can readily be acquired. Perhaps more interestingly, the availability of the entire hyperpolarized NMR signal in one single scan allows the measurement of transient processes in real time, if applied together with a stopped-flow technique. Through observation of chemical shift, different reactant and product species can be distinguished, and kinetics and mechanisms, for example in enzyme catalyzed reactions, can be elucidated. Real-time hyperpolarization-enhanced NMR is uniquely amenable to correlating atomic positions not only through space, but also over time between reactant and product species. Such correlations carry mechanistic information about a reaction, and can prove reaction pathways. Applications of this technique are emerging in different areas of chemistry concerned with rapid reactions, including not only enzymatic processes, but also chemical catalysis and protein folding.

  10. Radiation chemistry of 2'-deoxycytidylyl-(3'-5')-2'-deoxyguanosine and its sequence isomer in N2O- and O2-saturated solutions.

    PubMed

    Paul, C R; Arakali, A V; Wallace, J C; McReynolds, J; Box, H C

    1987-12-01

    The radiation chemistry of the dinucleoside monophosphate d(CpG) and its sequence isomer, d(GpC), has been examined in aqueous solutions saturated with either N2O or O2. The products were isolated using HPLC, and the major products were identified using proton NMR spectroscopy and mass spectrometry. The major products include 5,6-dihydroxy-5,6-dihydrouracil (glycol) derivatives, 5- and 6-hydroxycytosine substitution products, 1-carbamoyl-2-oxo-4,5-dihydroxyimidazolidine products, and the 8-hydroxyguanine substitution product. Both trans stereoisomers of the imidazolidine derivatives are obtained from d(CpG) as well as from its sequence isomer. These are prominent products when the irradiation is carried out in the presence of oxygen, but they are not observed in the absence of oxygen.

  11. Microwave-assisted chemistry: synthetic applications for rapid assembly of nanomaterials and organics.

    PubMed

    Gawande, Manoj B; Shelke, Sharad N; Zboril, Radek; Varma, Rajender S

    2014-04-15

    The magic of microwave (MW) heating technique, termed the Bunsen burner of the 21st century, has emerged as a valuable alternative in the synthesis of organic compounds, polymers, inorganic materials, and nanomaterials. Important innovations in MW-assisted chemistry now enable chemists to prepare catalytic materials or nanomaterials and desired organic molecules, selectively, in almost quantitative yields and with greater precision than using conventional heating. By controlling the specific MW parameters (temperature, pressure, and ramping of temperature) and choice of solvents, researchers can now move into the next generation of advanced nanomaterial design and development. Microwave-assisted chemical reactions are now well-established practices in the laboratory setting although some controversy lingers as to how MW irradiation is able to enhance or influence the outcome of chemical reactions. Much of the discussion has focused on whether the observed effects can, in all instances, be rationalized by purely thermal Arrhenius-based phenomena (thermal microwave effects), that is, the importance of the rapid heating and high bulk reaction temperatures that are achievable using MW dielectric heating in sealed reaction vessels, or whether these observations can be explained by so-called "nonthermal" or "specific microwave" effects. In recent years, innovative and significant advances have occurred in MW hardware development to help delineate MW effects, especially the use of silicon carbide (SiC) reaction vessels and the accurate measurement of temperature using fiber optic (FO) temperature probes. SiC reactors appear to be good alternatives to MW transparent borosilicate glass, because of their high microwave absorptivity, and as such they serve as valuable tools to demystify the claimed magical MW effects. This enables one to evaluate the influence of the electromagnetic field on the specific chemical reactions, under truly identical conventional heating

  12. Fervent: chemistry-coupled, ionizing and non-ionizing radiative feedback in hydrodynamical simulations

    NASA Astrophysics Data System (ADS)

    Baczynski, C.; Glover, S. C. O.; Klessen, R. S.

    2015-11-01

    We introduce a radiative transfer code module for the magnetohydrodynamical adaptive mesh refinement code FLASH 4. It is coupled to an efficient chemical network which explicitly tracks the three hydrogen species H, H2, H+ as well as C+ and CO. The module is geared towards modelling all relevant thermal feedback processes of massive stars, and is able to follow the non-equilibrium time-dependent thermal and chemical state of the present-day interstellar medium as well as that of dense molecular clouds. We describe in detail the implementation of all relevant thermal stellar feedback mechanisms, i.e. photoelectric, photoionization and H2 dissociation heating as well as pumping of molecular hydrogen by UV photons. All included radiative feedback processes are extensively tested. We also compare our module to dedicated photodissociation region (PDR) codes and find good agreement in our modelled hydrogen species once our radiative transfer solution reaches equilibrium. In addition, we show that the implemented radiative feedback physics is insensitive to the spatial resolution of the code and show under which conditions it is possible to obtain well-converged evolution in time. Finally, we briefly explore the robustness of our scheme for treating combined ionizing and non-ionizing radiation.

  13. Development and application of the WRFPLUS-Chem online chemistry adjoint and WRFDA-Chem assimilation system

    NASA Astrophysics Data System (ADS)

    Guerrette, J. J.; Henze, D. K.

    2015-06-01

    Here we present the online meteorology and chemistry adjoint and tangent linear model, WRFPLUS-Chem (Weather Research and Forecasting plus chemistry), which incorporates modules to treat boundary layer mixing, emission, aging, dry deposition, and advection of black carbon aerosol. We also develop land surface and surface layer adjoints to account for coupling between radiation and vertical mixing. Model performance is verified against finite difference derivative approximations. A second-order checkpointing scheme is created to reduce computational costs and enable simulations longer than 6 h. The adjoint is coupled to WRFDA-Chem, in order to conduct a sensitivity study of anthropogenic and biomass burning sources throughout California during the 2008 Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) field campaign. A cost-function weighting scheme was devised to reduce the impact of statistically insignificant residual errors in future inverse modeling studies. Results of the sensitivity study show that, for this domain and time period, anthropogenic emissions are overpredicted, while wildfire emission error signs vary spatially. We consider the diurnal variation in emission sensitivities to determine at what time sources should be scaled up or down. Also, adjoint sensitivities for two choices of land surface model (LSM) indicate that emission inversion results would be sensitive to forward model configuration. The tools described here are the first step in conducting four-dimensional variational data assimilation in a coupled meteorology-chemistry model, which will potentially provide new constraints on aerosol precursor emissions and their distributions. Such analyses will be invaluable to assessments of particulate matter health and climate impacts.

  14. Development and application of the WRFPLUS-Chem online chemistry adjoint and WRFDA-Chem assimilation system

    NASA Astrophysics Data System (ADS)

    Guerrette, J. J.; Henze, D. K.

    2015-02-01

    Here we present the online meteorology and chemistry adjoint and tangent linear model, WRFPLUS-Chem, which incorporates modules to treat boundary layer mixing, emission, aging, dry deposition, and advection of black carbon aerosol. We also develop land surface and surface layer adjoints to account for coupling between radiation and vertical mixing. Model performance is verified against finite difference derivative approximations. A second order checkpointing scheme is created to reduce computational costs and enable simulations longer than six hours. The adjoint is coupled to WRFDA-Chem, in order to conduct a sensitivity study of anthropogenic and biomass burning sources throughout California during the 2008 Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) field campaign. A cost function weighting scheme was devised to increase adjoint sensitivity robustness in future inverse modeling studies. Results of the sensitivity study show that, for this domain and time period, anthropogenic emissions are over predicted, while wildfire emissions are under predicted. We consider the diurnal variation in emission sensitivities to determine at what time sources should be scaled up or down. Also, adjoint sensitivities for two choices of land surface model indicate that emission inversion results would be sensitive to forward model configuration. The tools described here are the first step in conducting four-dimensional variational data assimilation in a coupled meteorology-chemistry model, which will potentially provide new constraints on aerosol precursor emissions and their distributions. Such analyses will be invaluable to assessments of particulate matter health and climate impacts.

  15. Radiological protection, safety and security issues in the industrial and medical applications of radiation sources

    NASA Astrophysics Data System (ADS)

    Vaz, Pedro

    2015-11-01

    The use of radiation sources, namely radioactive sealed or unsealed sources and particle accelerators and beams is ubiquitous in the industrial and medical applications of ionizing radiation. Besides radiological protection of the workers, members of the public and patients in routine situations, the use of radiation sources involves several aspects associated to the mitigation of radiological or nuclear accidents and associated emergency situations. On the other hand, during the last decade security issues became burning issues due to the potential malevolent uses of radioactive sources for the perpetration of terrorist acts using RDD (Radiological Dispersal Devices), RED (Radiation Exposure Devices) or IND (Improvised Nuclear Devices). A stringent set of international legally and non-legally binding instruments, regulations, conventions and treaties regulate nowadays the use of radioactive sources. In this paper, a review of the radiological protection issues associated to the use of radiation sources in the industrial and medical applications of ionizing radiation is performed. The associated radiation safety issues and the prevention and mitigation of incidents and accidents are discussed. A comprehensive discussion of the security issues associated to the global use of radiation sources for the aforementioned applications and the inherent radiation detection requirements will be presented. Scientific, technical, legal, ethical, socio-economic issues are put forward and discussed.

  16. Application of Stochastic Radiative Transfer Theory to the ARM Cloud-Radiative Parameterization Problem

    SciTech Connect

    Veron, Dana E

    2009-03-12

    This project had two primary goals: 1) development of stochastic radiative transfer as a parameterization that could be employed in an AGCM environment, and 2) exploration of the stochastic approach as a means for representing shortwave radiative transfer through mixed-phase layer clouds. To achieve these goals, an analysis of the performance of the stochastic approach was performed, a simple stochastic cloud-radiation parameterization for an AGCM was developed and tested, a statistical description of Arctic mixed phase clouds was developed and the appropriateness of stochastic approach for representing radiative transfer through mixed-phase clouds was assessed. Significant progress has been made in all of these areas and is detailed below.

  17. Application of Stochastic Radiative Transfer Theory to the ARM Cloud-Radiative Parameterization Problem

    SciTech Connect

    Dana E. Veron

    2012-04-09

    This project had two primary goals: (1) development of stochastic radiative transfer as a parameterization that could be employed in an AGCM environment, and (2) exploration of the stochastic approach as a means for representing shortwave radiative transfer through mixed-phase layer clouds. To achieve these goals, climatology of cloud properties was developed at the ARM CART sites, an analysis of the performance of the stochastic approach was performed, a simple stochastic cloud-radiation parameterization for an AGCM was developed and tested, a statistical description of Arctic mixed phase clouds was developed and the appropriateness of stochastic approach for representing radiative transfer through mixed-phase clouds was assessed. Significant progress has been made in all of these areas and is detailed in the final report.

  18. Carbon Nanotube Reinforced Polymers for Radiation Shielding Applications

    NASA Technical Reports Server (NTRS)

    Thibeault, S. (Technical Monitor); Vaidyanathan, Ranji

    2004-01-01

    This viewgraph presentation provides information on the use of Extrusion Freeform Fabrication (EEF) for the fabrication of carbon nanotubes. The presentation addresses TGA analysis, Raman spectroscopy, radiation tests, and mechanical properties of the carbon nanotubes.

  19. Far infrared radiation (FIR): its biological effects and medical applications

    PubMed Central

    Vatansever, Fatma; Hamblin, Michael R.

    2013-01-01

    Far infrared (FIR) radiation (λ = 3–100 μm) is a subdivision of the electromagnetic spectrum that has been investigated for biological effects. The goal of this review is to cover the use of a further sub-division (3– 12 μm) of this waveband, that has been observed in both in vitro and in vivo studies, to stimulate cells and tissue, and is considered a promising treatment modality for certain medical conditions. Technological advances have provided new techniques for delivering FIR radiation to the human body. Specialty lamps and saunas, delivering pure FIR radiation (eliminating completely the near and mid infrared bands), have became safe, effective, and widely used sources to generate therapeutic effects. Fibers impregnated with FIR emitting ceramic nanoparticles and woven into fabrics, are being used as garments and wraps to generate FIR radiation, and attain health benefits from its effects. PMID:23833705

  20. Far infrared radiation (FIR): its biological effects and medical applications.

    PubMed

    Vatansever, Fatma; Hamblin, Michael R

    2012-11-01

    Far infrared (FIR) radiation (λ = 3-100 μm) is a subdivision of the electromagnetic spectrum that has been investigated for biological effects. The goal of this review is to cover the use of a further sub-division (3- 12 μm) of this waveband, that has been observed in both in vitro and in vivo studies, to stimulate cells and tissue, and is considered a promising treatment modality for certain medical conditions. Technological advances have provided new techniques for delivering FIR radiation to the human body. Specialty lamps and saunas, delivering pure FIR radiation (eliminating completely the near and mid infrared bands), have became safe, effective, and widely used sources to generate therapeutic effects. Fibers impregnated with FIR emitting ceramic nanoparticles and woven into fabrics, are being used as garments and wraps to generate FIR radiation, and attain health benefits from its effects.

  1. Some new results on irradiation characteristics of synthetic quartz crystals and their application to radiation hardening

    NASA Technical Reports Server (NTRS)

    Bahadur, H.; Parshad, R.

    1983-01-01

    The paper reports some new results on irradiation characteristics of synthetic quartz crystals and their application to radiation hardening. The present results show how the frequency shift in quartz crystals can be influenced by heat processing prior to irradiation and how this procedure can lead to radiation hardening for obtaining precise frequencies and time intervals from quartz oscillators in space.

  2. Application of the Pin Diode as a Dosimeter for Dose Measurement of Several Radiation Sources

    NASA Astrophysics Data System (ADS)

    Sopko, Vit; Dammer, Jiri; Chren, Dominik; Sopko, Bruno; Latal, Frantisek

    2010-04-01

    Experimental PIN diodes produced for measurement of low energy gamma radiation were exposed to neutron, proton and gamma radiation sources, in an attempt to expand the area of their application. Irradiation of the PIN diode resulted in changes of IV curve. The changes of voltage at certain current were recorded and depicted in graphs.

  3. Polyethylene/Boron Composites for Radiation Shielding Applications

    SciTech Connect

    Harrison, Courtney; Grulke, Eric; Burgett, Eric; Hertel, Nolan

    2008-01-21

    Multifunctional composites made with boron are absorbers of low energy nuetrons, and could be used for structural shielding materials. Polyethylene/boron carbide composites were fabricated using conventional polymer processing techniques, and were evaluated for mechanical and radiation shielding properties. Addition of neat boron carbide (powder and nanoparticles) to an injection molding grade HPDE showed superior mechanical properties compared to neat HDPE. Radiation shielding measurements of a 2 wt% boron carbide composite were improved over those of the neat polyethylene.

  4. Application of Synchrotron Radiation in the Geological and Environmental Sciences

    SciTech Connect

    Jones, Keith W.

    1999-09-01

    A survey of some of the different ways that synchrotrons x-ray beams can be used to study geological materials is presented here. This field developed over a period of about 30 years, and it is clear that the geological community has made major use of the many synchrotrons facilities operating around the world during this time period. This was a time of rapid change in the operational performance of the synchrotrons facilities and this in itself has made it possible for geologists to develop new and more refined types of experiments that have yielded many important results. The advance in experimental techniques has proceeded in parallel with a revolution in computing techniques that has made it possible to cope with the great amount of data accumulated in the experiments. It is reasonable, although risky, to speculate about what might be expected to develop in the field during the next five- to ten-year period. It does seem plausible that the rate of change in the performance of what might now be called conventional x-ray storage rings will slow. There are no new facilities that are superior to the ESRF, ALS, APS, or SPring8 facilities under construction or about to come into operation. Thus, performance increments in the characteristics of the x-ray sources may come through the introduction of specialized devices in existing storage rings. The free electron laser is one example of a developing new technology that should take us into new regions of performance for radiation sources and stimulate new types of experimental applications. It is also likely that major advances will come through the introduction of more sophisticated experimental devices developed for use with the very recently operational undulator or wiggler sources at the newer rings. Improved x-ray optics and x-ray detectors and more powerful computation and high-speed data transmission can bring about more refined experiments and make the synchrotrons facilities more widely available to the

  5. Emissivity enhancement coatings for thermophotovoltaic (TPV) radiator applications

    SciTech Connect

    Yue, J.J.; Cockeram, B.V.

    1998-12-01

    Ten emissivity enhancing coatings (ZrO{sub 2} + 18% TiO{sub 2} + 10% Y{sub 2}O{sub 3}, Cr{sub 2}O{sub 3}, ZrC, Fe{sub 2}TiO{sub 5}, ZrTiO{sub 4}, ZrO{sub 2} + 8% Y{sub 2}O{sub 3} + 2% HfO{sub 2}, TiC, TiC + 5% Al{sub 2}O{sub 3} + 5% TiO{sub 2}, ZrB{sub 2}, and ZrB{sub 2} + 10% MoSi{sub 2}) deposited on Mo, Nb, and Haynes 230 substrates were evaluated for potential use in thermophotovoltaic (TPV) radiator applications. Emissivity testing of as-coated and annealed coupons indicate that 5 of the 10 Vacuum Plasma Spray (VPS) coating candidates have promise (ZrO{sub 2} + 18% TiO{sub 2} + 10% Y{sub 2}O{sub 3}, ZrC, Fe{sub 2}TiO{sub 5}, ZrTiO{sub 4}, ZrO{sub 2} + 8% Y{sub 2}O{sub 3} + 2% HfO{sub 2}). Four of the ten coatings have emissivity values that are too low to be of further interest (TiC, TiC + 5% Al{sub 2}O{sub 3} + 5% TiO{sub 2}, ZrB{sub 2}, and ZrB{sub 2} + 10% MoSi{sub 2}). The final coating was mostly Cr{sub 2}O{sub 3}, and exhibited excessive evaporation during vacuum annealing with a significant decrease in emissivity. Base metal powder, which was added to the bond layer of all coatings to improve coating adhesion, was detected in the top layer of the coatings. Differences in reactive interaction between the base metal powder and coating during vacuum annealing produced varying changes in emissivity. A small decrease in emissivity was observed for the ZrC coating deposited on niobium, which agrees with the limited interaction between the niobium base metal particles and the ZrC coating detected in SEM/EDS examinations. A large decrease in emissivity was observed for the ZrC coating deposited on Haynes 230, and significant interaction between the base metal particles and ZrC coating was observed.

  6. Tropospheric ozone changes, radiative forcing and attribution to emissions in the Atmospheric Chemistry and Climate Model Inter-comparison Project (ACCMIP)

    NASA Astrophysics Data System (ADS)

    Stevenson, D. S.; Young, P. J.; Naik, V.; Lamarque, J.-F.; Shindell, D. T.; Voulgarakis, A.; Skeie, R. B.; Dalsoren, S. B.; Myhre, G.; Berntsen, T. K.; Folberth, G. A.; Rumbold, S. T.; Collins, W. J.; MacKenzie, I. A.; Doherty, R. M.; Zeng, G.; van Noije, T. P. C.; Strunk, A.; Bergmann, D.; Cameron-Smith, P.; Plummer, D. A.; Strode, S. A.; Horowitz, L.; Lee, Y. H.; Szopa, S.; Sudo, K.; Nagashima, T.; Josse, B.; Cionni, I.; Righi, M.; Eyring, V.; Conley, A.; Bowman, K. W.; Wild, O.

    2012-10-01

    Ozone (O3) from 17 atmospheric chemistry models taking part in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) has been used to calculate tropospheric ozone radiative forcings (RFs). We calculate a~value for the pre-industrial (1750) to present-day (2010) tropospheric ozone RF of 0.40 W m-2. The model range of pre-industrial to present-day changes in O3 produces a spread (±1 standard deviation) in RFs of ±17%. Three different radiation schemes were used - we find differences in RFs between schemes (for the same ozone fields) of ±10%. Applying two different tropopause definitions gives differences in RFs of ±3%. Given additional (unquantified) uncertainties associated with emissions, climate-chemistry interactions and land-use change, we estimate an overall uncertainty of ±30% for the tropospheric ozone RF. Experiments carried out by a subset of six models attribute tropospheric ozone RF to increased emissions of methane (47%), nitrogen oxides (29%), carbon monoxide (15%) and non-methane volatile organic compounds (9%); earlier studies attributed more of the tropospheric ozone RF to methane and less to nitrogen oxides. Normalising RFs to changes in tropospheric column ozone, we find a global mean normalised RF of 0.042 W m-2 DU-1, a value similar to previous work. Using normalised RFs and future tropospheric column ozone projections we calculate future tropospheric ozone RFs (W m-2; relative to 1850 - add 0.04 W m-2 to make relative to 1750) for the Representative Concentration Pathways in 2030 (2100) of: RCP2.6: 0.31 (0.16); RCP4.5: 0.38 (0.26); RCP6.0: 0.33 (0.24); and RCP8.5: 0.42 (0.56). Models show some coherent responses of ozone to climate change: decreases in the tropical lower troposphere, associated with increases in water vapour; and increases in the sub-tropical to mid-latitude upper troposphere, associated with increases in lightning and stratosphere-to-troposphere transport.

  7. Impact of resolution on aerosol radiative feedbacks with in online-coupled chemistry/climate simulations (WRF-Chem) for EURO-CORDEX compliant domains

    NASA Astrophysics Data System (ADS)

    López-Romero, Jose Maria; Baró, Rocío; Palacios-Peña, Laura; Jerez, Sonia; Jiménez-Guerrero, Pedro; Montávez, Juan Pedro

    2016-04-01

    Several studies have shown that a high spatial resolution in atmospheric model runs improves the simulation of some meteorological variables, such as precipitation, particularly extreme events and in regions with complex orography [1]. However, increasing model spatial resolution makes the computational time rise exponentially. Hence, very high resolution experiments on large domains can hamper the execution of climatic runs. This problem shoots up when using online-coupled chemistry climate models, making a careful evaluation of improvements versus costs mandatory. Under this umbrella, the objective of this work is to investigate the sensitivity of aerosol radiative feedbacks from online-coupled chemistry regional model simulations to the spatial resolution. For that, the WRF-Chem [2] model is used for a case study to simulate the episode occurring between July 25th and August 15th of 2010. It is characterized by a high loading of atmospheric aerosol particles coming mainly from wildfires over large European regions (Russia, Iberian Peninsula). Three spatial resolutions are used defined for Euro-Cordex compliant domains [3]: 0.44°, 0.22° and 0.11°. Anthropogenic emissions come from TNO databases [4]. The analysis focuses on air quality variables (mainly PM10, PM2.5), meteorological variables (temperature, radiation) and other aerosol optical properties (aerosol optical depth). The CPU time ratio for the different domains is 1 (0.44°), 4(0.22°) and 28(0.11°) (normalized times). Comparison among simulations and observations are analyzed. Preliminary results show the difficulty to justify the much larger computational cost of high-resolution experiments when comparing with observations from a meteorological point of view, despite the finer spatio-temporal detail of the obtained pollutant fields. [1] Prein, A. F. (2014, December). Precipitation in the EURO-CORDEX 0.11° and 0.44° simulations: high resolution, high benefits?. In AGU Fall Meeting Abstracts (Vol

  8. "Investigation of Trends in Aerosol Direct Radiative Effects over North America Using a Coupled Meteorology-Chemistry Model"

    EPA Science Inventory

    While aerosol radiative effects have been recognized as some of the largest sources of uncertainty among the forcers of climate change, there has been little effort devoted to verification of the spatial and temporal variability of the magnitude and directionality of aerosol radi...

  9. Chemical Preconversion: Application of Low-Severity Pretreatment Chemistries for Commoditization of Lignocellulosic Feedstock

    SciTech Connect

    David N. Thompson; Timothy Campbell; Bryan Bals; Troy Runge; Farzaneh Teymouri

    2013-05-01

    Securing biofuels project financing is challenging, in part because of risks in feedstock supply. Commoditization of the feedstock and decoupling its supply from the biorefinery will promote greater economies of scale, reduce feedstock supply risk and reduce the need for overdesign of biorefinery pretreatment technologies. We present benefits and detractions of applying low-severity chemical treatments or ‘chemical preconversion treatments’ to enable this approach through feedstock modification and densification early in the supply chain. General structural modifications to biomass that support cost-effective densification and transportation are presented, followed by available chemistries to achieve these modifications with minimal yield loss and the potential for harvesting value in local economies. A brief review of existing biomass pretreatment technologies for cellulolytic hydrolysis at biorefineries is presented, followed by a discussion toward economically applying the underlying chemistries at reduced severity in light of capital and operational limitations of small-scale feedstock depots.

  10. Current applications and future potential for bioinorganic chemistry in the development of anticancer drugs

    PubMed Central

    van Rijt, Sabine H.; Sadler, Peter J.

    2010-01-01

    This review illustrates notable recent progress in the field of medicinal bioinorganic chemistry with many new approaches to the design of innovative metal-based anticancer drugs emerging. Current research addressing the problems associated with platinum drugs has focused on other metal-based therapeutics that have different modes of action, and on prodrug and targeting strategies in an effort to diminish the side-effects of cisplatin chemotherapy. PMID:19782150

  11. Radiation hardening of components and systems for nuclear rocket vehicle applications

    NASA Technical Reports Server (NTRS)

    Greenhow, W. A.; Cheever, P. R.

    1972-01-01

    The results of the analysis of the S-2 and S-4B components, although incomplete, indicate that many Saturn 5 components and subsystems, e.g., pumps, valves, etc., can be radiation hardened to meet NRV requirements by material substitution and minor design modifications. Results of these analyses include (1) recommended radiation tolerance limits for over 100 material applications; (2) design data which describes the components of each system; (3) presentation of radiation hardening examples of systems; and (4) designing radiation effects tests to supply data for selecting materials.

  12. A Component Approach to Collaborative Scientific Software Development: Tools and Techniques Utilized by the Quantum Chemistry Science Application Partnership

    DOE PAGES

    Kenny, Joseph P.; Janssen, Curtis L.; Gordon, Mark S.; Sosonkina, Masha; Windus, Theresa L.

    2008-01-01

    Cutting-edge scientific computing software is complex, increasingly involving the coupling of multiple packages to combine advanced algorithms or simulations at multiple physical scales. Component-based software engineering (CBSE) has been advanced as a technique for managing this complexity, and complex component applications have been created in the quantum chemistry domain, as well as several other simulation areas, using the component model advocated by the Common Component Architecture (CCA) Forum. While programming models do indeed enable sound software engineering practices, the selection of programming model is just one building block in a comprehensive approach to large-scale collaborative development which must also addressmore » interface and data standardization, and language and package interoperability. We provide an overview of the development approach utilized within the Quantum Chemistry Science Application Partnership, identifying design challenges, describing the techniques which we have adopted to address these challenges and highlighting the advantages which the CCA approach offers for collaborative development.« less

  13. Application of the LPL model to mixed radiations

    SciTech Connect

    Curtis, S.B.

    1991-09-01

    The LPL (Lethal, Potentially Lethal) formulation was used to analyze sets of cell survival data from mixes of (1) alpha particles and X rays and (2) neon ions and X rays. The hypothesis tested was whether survival after mixed radiation could be predicted by simply adding the total number of lethal and potentially lethal lesions from each radiation in the theoretical survival expression. Results show that all data appear to conform satisfactorily to the LPL hypothesis except for the mixed neon-ion and X-ray results with a large dose of X rays (8 Gy) given first. 8 refs., 6 figs., 1 tab.

  14. Organic Chemistry. A Brief Survey of Concepts and Applications, 6th Edition (by Philip S. Bailey Jr. and Christina A. Bailey)

    NASA Astrophysics Data System (ADS)

    Rosan, Alan M.

    2001-07-01

    The book is substantially free of errors and I found only a handful of grammatical oversights (pages 152, 165, 479). Most problematic are a confusion between a and [a] (page 198), a definition of mass spectrometry involving fragmentation by radiation (glossary G4), a typo in a model-building exercise on the construction of 2,3-dibromobutane (page 218), and the implication that multiphoton processes do not occur (page 516). A carbon NMR spectrum (page 534) is drawn so as to suggest that J is not constant and, while described in words, the phrase "n+1" is surprisingly absent. Lastly, I do not agree that the sawhorse diagram (page 54) is entirely self-evident to students. But, in proper perspective, these are all minor points. This latest edition, as those before it, ably and enthusiastically illustrates the wide range, deep uniformity, and undeniable centrality of organic chemistry in a molecular understanding of the architecture and applicability of topics ranging from buckyballs to biochemistry. Considerable thought has gone into illuminating the essentials of organic structural change and in presenting these concepts and connections clearly and simply. This text has much to recommend it as an excellent choice for the short or even the not-so-short course.

  15. Main principles of radiation protection and their applications in waste management

    SciTech Connect

    Devgun, J.S.

    1993-09-01

    The average exposure for an individual from such background in the United States is about 300 mrem per year with approximately 200 mrem of this coming from radon exposure alone. In addition to the natural sources of background radiation, a very small amount of the background radiation occurs due to the nuclear weapons test fallout. Manmade sources of radiation also include certain consumer products, industrial and research use of radioisotopes, medical X-rays, and radiopharmaceuticals. When all sources, natural and man-made, are taken into account, the National Council on Radiation Protection and Measurements (NCRP) has estimated that the average annual dose to individuals in the US population is 360 mrem (NCRP Report No. 93). In this report the fundamental principles of radiation protection are reviewed, as well as the relevant laws and regulations in the United States and discuss application of radiation protection in radioactive waste management.

  16. Overview of the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Forcing on the Mediterranean Climate (ChArMEx/ADRIMED) summer 2013 campaign

    NASA Astrophysics Data System (ADS)

    Mallet, M.; Dulac, F.; Formenti, P.; Nabat, P.; Sciare, J.; Roberts, G.; Pelon, J.; Ancellet, G.; Tanré, D.; Parol, F.; di Sarra, A.; Alados, L.; Arndt, J.; Auriol, F.; Blarel, L.; Bourrianne, T.; Brogniez, G.; Chazette, P.; Chevaillier, S.; Claeys, M.; D'Anna, B.; Denjean, C.; Derimian, Y.; Desboeufs, K.; Di Iorio, T.; Doussin, J.-F.; Durand, P.; Féron, A.; Freney, E.; Gaimoz, C.; Goloub, P.; Gómez-Amo, J. L.; Granados-Muñoz, M. J.; Grand, N.; Hamonou, E.; Jankowiak, I.; Jeannot, M.; Léon, J.-F.; Maillé, M.; Mailler, S.; Meloni, D.; Menut, L.; Momboisse, G.; Nicolas, J.; Podvin, J.; Pont, V.; Rea, G.; Renard, J.-B.; Roblou, L.; Schepanski, K.; Schwarzenboeck, A.; Sellegri, K.; Sicard, M.; Solmon, F.; Somot, S.; Torres, B.; Totems, J.; Triquet, S.; Verdier, N.; Verwaerde, C.; Wenger, J.; Zapf, P.

    2015-07-01

    The Chemistry-Aerosol Mediterranean Experiment (ChArMEx; http://charmex.lsce.ipsl.fr) is a collaborative research program federating international activities to investigate Mediterranean regional chemistry-climate interactions. A special observing period (SOP-1a) including intensive airborne measurements was performed in the framework of the Aerosol Direct Radiative Forcing on the Mediterranean Climate (ADRIMED) project during the Mediterranean dry season over the western and central Mediterranean basins, with a focus on aerosol-radiation measurements and their modeling. The SOP-1a took place from 11 June to 5 July 2013. Airborne measurements were made by both the ATR-42 and F-20 French research aircraft operated from Sardinia (Italy) and instrumented for in situ and remote-sensing measurements, respectively, and by sounding and drifting balloons, launched in Minorca. The experimental set-up also involved several ground-based measurement sites on islands including two ground-based reference stations in Corsica and Lampedusa and secondary monitoring sites in Minorca and Sicily. Additional measurements including lidar profiling were also performed on alert during aircraft operations at EARLINET/ACTRIS stations at Granada and Barcelona in Spain, and in southern Italy. Remote sensing aerosol products from satellites (MSG/SEVIRI, MODIS) and from the AERONET/PHOTONS network were also used. Dedicated meso-scale and regional modelling experiments were performed in relation to this observational effort. We provide here an overview of the different surface and aircraft observations deployed during the ChArMEx/ADRIMED period and of associated modeling studies together with an analysis of the synoptic conditions that determined the aerosol emission and transport. Meteorological conditions observed during this campaign (moderate temperatures and southern flows) were not favorable to produce high level of atmospheric pollutants nor

  17. Performance characteristics of a silicon photomultiplier based compact radiation detector for Homeland Security applications

    NASA Astrophysics Data System (ADS)

    Park, Hye Min; Joo, Koan Sik

    2015-05-01

    A next-generation compact radiation detector was studied for more accurate measurement of radiation and for improvement of detector reliability for the purpose of developing radiation protection technology and military applications. The previously used radiation detector had some limitations due to its bulky size, limited range and its environment for radiation measurement. On the other hand, the compact radiation detector examined in this study utilizes a silicon photomultiplier which appears to be more suitable for this application because of its physical superiority characterized by its small size, high sensitivity, and durability. Accordingly, a SiPM based scintillation detector has been developed as part of this basic study of military radiation detectors. The detector has been tested for its ability to obtain the operating characteristics of a sensor and analyzed with variations of parameter values and for efficiency of detection in accordance with its ability to measure radiation in the environment. Two SiPM based Scintillation detectors with LYSO, BGO and CsI:Tl scintillators were developed and the detectors were analyzed by a number of operating characteristics such as reverse bias, operating temperature and high magnetic field, that depend on environmental changes in radiation measurement. The Photon count rate and spectra were compared for these three scintillators. We found that there were variations in the radiation detection which were characterized by reverse bias, temperature and high magnetic field. It was also found that there was an 11.9% energy resolution for the LYSO, 15.5% for BGO and 13.5% for CsI:Tl using Array SiPM, and 18% for CsI:Tl energy resolution using single SiPM when we measured energy resolution of 511 keV for 22Na. These results demonstrate the potential widespread use of SiPM based compact radiation detectors for Homeland Security applications.

  18. Experimental studies of lithium-based surface chemistry for fusion plasma-facing materials applications

    NASA Astrophysics Data System (ADS)

    Allain, J. P.; Rokusek, D. L.; Harilal, S. S.; Nieto-Perez, M.; Skinner, C. H.; Kugel, H. W.; Heim, B.; Kaita, R.; Majeski, R.

    2009-06-01

    Lithium has enhanced the operational performance of fusion devices such as: TFTR, CDX-U, FTU, T-11 M, and NSTX. Lithium in the solid and liquid state has been studied extensively in laboratory experiments including its erosion and hydrogen-retaining properties. Reductions in physical sputtering up to 40-60% have been measured for deuterated solid and liquid lithium surfaces. Computational modeling indicates that up to a 1:1 deuterium volumetric retention in lithium is possible. This paper presents the results of systematic in situ laboratory experimental studies on the surface chemistry evolution of ATJ graphite under lithium deposition. Results are compared to post-mortem analysis of similar lithium surface coatings on graphite exposed to deuterium discharge plasmas in NSTX. Lithium coatings on plasma-facing components in NSTX have shown substantial reduction of hydrogenic recycling. Questions remain on the role lithium surface chemistry on a graphite substrate has on particle sputtering (physical and chemical) as well as hydrogen isotope recycling. This is particularly due to the lack of in situ measurements of plasma-surface interactions in tokamaks such as NSTX. Results suggest that the lithium bonding state on ATJ graphite is lithium peroxide and with sufficient exposure to ambient air conditions, lithium carbonate is generated. Correlation between both results is used to assess the role of lithium chemistry on the state of lithium bonding and implications on hydrogen pumping and lithium sputtering. In addition, reduction of factors between 10 and 30 reduction in physical sputtering from lithiated graphite compared to pure lithium or carbon is also measured.

  19. Integrative Biological Chemistry Program Includes The Use Of Informatics Tools, GIS And SAS Software Applications

    PubMed Central

    D’Souza, Malcolm J.; Kashmar, Richard J.; Hurst, Kent; Fiedler, Frank; Gross, Catherine E.; Deol, Jasbir K.; Wilson, Alora

    2015-01-01

    Wesley College is a private, primarily undergraduate minority-serving institution located in the historic district of Dover, Delaware (DE). The College recently revised its baccalaureate biological chemistry program requirements to include a one-semester Physical Chemistry for the Life Sciences course and project-based experiential learning courses using instrumentation, data-collection, data-storage, statistical-modeling analysis, visualization, and computational techniques. In this revised curriculum, students begin with a traditional set of biology, chemistry, physics, and mathematics major core-requirements, a geographic information systems (GIS) course, a choice of an instrumental analysis course or a statistical analysis systems (SAS) programming course, and then, students can add major-electives that further add depth and value to their future post-graduate specialty areas. Open-sourced georeferenced census, health and health disparity data were coupled with GIS and SAS tools, in a public health surveillance system project, based on US county zip-codes, to develop use-cases for chronic adult obesity where income, poverty status, health insurance coverage, education, and age were categorical variables. Across the 48 contiguous states, obesity rates are found to be directly proportional to high poverty and inversely proportional to median income and educational achievement. For the State of Delaware, age and educational attainment were found to be limiting obesity risk-factors in its adult population. Furthermore, the 2004–2010 obesity trends showed that for two of the less densely populated Delaware counties; Sussex and Kent, the rates of adult obesity were found to be progressing at much higher proportions when compared to the national average. PMID:26191337

  20. Applications of everyday IT and communications devices in modern analytical chemistry: A review.

    PubMed

    Grudpan, Kate; Kolev, Spas D; Lapanantnopakhun, Somchai; McKelvie, Ian D; Wongwilai, Wasin

    2015-05-01

    This paper reviews the development and recent use of everyday communications and IT equipment (mobile phones, digital cameras, scanners, webcams, etc) as detection devices for colorimetric chemistries. Such devices can readily be applied for visible detection using reaction formats such as microfluidic paper based analytical devices (µPADs), indicator papers, and well plate reaction vessels. Their use is highly advantageous with respect to cost, simplicity and portability, and offers many opportunities in the areas of point of care diagnosis, and at-site monitoring of environmental, agricultural, food and beverage parameters.

  1. Applications of everyday IT and communications devices in modern analytical chemistry: A review.

    PubMed

    Grudpan, Kate; Kolev, Spas D; Lapanantnopakhun, Somchai; McKelvie, Ian D; Wongwilai, Wasin

    2015-05-01

    This paper reviews the development and recent use of everyday communications and IT equipment (mobile phones, digital cameras, scanners, webcams, etc) as detection devices for colorimetric chemistries. Such devices can readily be applied for visible detection using reaction formats such as microfluidic paper based analytical devices (µPADs), indicator papers, and well plate reaction vessels. Their use is highly advantageous with respect to cost, simplicity and portability, and offers many opportunities in the areas of point of care diagnosis, and at-site monitoring of environmental, agricultural, food and beverage parameters. PMID:25702989

  2. Application of validated radiation model in flame spread rate over solid fuels

    NASA Astrophysics Data System (ADS)

    Ivisic, Ivan

    In this thesis the radiative effects of opposed flow flames spreading over solid fuels are discussed as well as the coupling of a radiation and CFD program. The coupled programs are used to show the radiative heat transfer mechanisms and how they affect the flame globally. A radiation program is used to calculate radiation properties of the flame such as the heat flux distribution, net heat flow, and mean Plank absorptivity constant for a particular flame. The radiation program imports the temperature fields from a CFD program. Trends in the mean Plank absorptivity constant with varying ambient conditions are analyzed and an application of the radiation program to simulate a physical radiometer is demonstrated for a test case. The CFD program can import radiation results to help improve the accuracy of the simulation. A script was written to automate the update process to produce more accurate results for flame simulations. Flux distributions, stability and relative error are analyzed to show the coupled programs are producing results within an acceptable error. Trends in error and stability are discussed and stable regions with low enough error are determined. The coupled programs are used to gather data on flame spread rate and find differences in flame structure and properties of neglecting certain radiation mechanisms. No radiation included produced the hottest fastest moving flame, while no gas to surface radiation produced the coolest flame. Including the gas to surface radiation produced a slightly hotter faster moving flame. This trend was studied across different opposed flow velocities and sample widths. The radiative heat fluxes are analyzed for the cases as well. All the flame simulations in this thesis were run for a microgravity, 21% oxygen, and PMMA fuel.

  3. Advances in nanoscale alloys and intermetallics: low temperature solution chemistry synthesis and application in catalysis.

    PubMed

    Jana, Subhra

    2015-11-21

    Based on the bottom-up chemistry techniques, the size, shape, and composition controlled synthesis of nanoparticles can now be achieved uniformly, which is of great importance to the nanoscience community as well as in modern catalysis research. The low-temperature solution-phase synthesis approach represents one of the most attractive strategies and has been utilized to synthesize nanoscale metals, alloys and intermetallics, including a number of new metastable phases. This perspective will highlight the solution-based nanoparticle synthesis techniques, a low-temperature platform, for the synthesis of size and shape-tunable nanoscale transition metals, alloys, and intermetallics from the literature, keeping a focus on the utility of these nanomaterials in understanding the catalysis. For each solution-based nanoparticle synthesis technique, a comprehensive overview has been given for the reported nanoscale metals, alloys, and intermetallics, followed by critical comments. Finally, their enhanced catalytic activity and durability as novel catalysts have been discussed towards several hydrogenation/dehydrogenation reactions and also for different inorganic to organic reactions. Hence, the captivating advantages of this controllable low-temperature solution chemistry approach have several important implications and together with them this approach provides a promising route to the development of next-generation nanostructured metals, alloys, and intermetallics since they possess fascinating properties as well as outstanding catalytic activity. PMID:26477400

  4. Application of computer assisted combinatorial chemistry in antivirial, antimalarial and anticancer agents design

    NASA Astrophysics Data System (ADS)

    Burello, E.; Bologa, C.; Frecer, V.; Miertus, S.

    Combinatorial chemistry and technologies have been developed to a stage where synthetic schemes are available for generation of a large variety of organic molecules. The innovative concept of combinatorial design assumes that screening of a large and diverse library of compounds will increase the probability of finding an active analogue among the compounds tested. Since the rate at which libraries are screened for activity currently constitutes a limitation to the use of combinatorial technologies, it is important to be selective about the number of compounds to be synthesized. Early experience with combinatorial chemistry indicated that chemical diversity alone did not result in a significant increase in the number of generated lead compounds. Emphasis has therefore been increasingly put on the use of computer assisted combinatorial chemical techniques. Computational methods are valuable in the design of virtual libraries of molecular models. Selection strategies based on computed physicochemical properties of the models or of a target compound are introduced to reduce the time and costs of library synthesis and screening. In addition, computational structure-based library focusing methods can be used to perform in silico screening of the activity of compounds against a target receptor by docking the ligands into the receptor model. Three case studies are discussed dealing with the design of targeted combinatorial libraries of inhibitors of HIV-1 protease, P. falciparum plasmepsin and human urokinase as potential antivirial, antimalarial and anticancer drugs. These illustrate library focusing strategies.

  5. Pyranoside-into-furanoside rearrangement: new reaction in carbohydrate chemistry and its application in oligosaccharide synthesis.

    PubMed

    Krylov, Vadim B; Argunov, Dmitry A; Vinnitskiy, Dmitry Z; Verkhnyatskaya, Stella A; Gerbst, Alexey G; Ustyuzhanina, Nadezhda E; Dmitrenok, Andrey S; Huebner, Johannes; Holst, Otto; Siebert, Hans-Christian; Nifantiev, Nikolay E

    2014-12-01

    Great interest in natural furanoside-containing compounds has challenged the development of preparative methods for their synthesis. Herein a novel reaction in carbohydrate chemistry, namely a pyranoside-into-furanoside (PIF) rearrangement permitting the transformation of selectively O-substituted pyranosides into the corresponding furanosides is reported. The discovered process includes acid-promoted sulfation accompanied by rearrangement of the pyranoside ring into a furanoside ring followed by solvolytic O-desulfation. This process, which has no analogy in organic chemistry, was shown to be a very useful tool for the synthesis of furanoside-containing complex oligosaccharides, which was demonstrated by synthesizing disaccharide derivatives α-D-Galp-(1→3)-β-D-Galf-OPr, 3-O-s-lactyl-β-D-Galf-(1→3)-β-D-Glcp-OPr, and α-L-Fucf-(1→4)-β-D-GlcpA-OPr related to polysaccharides from the bacteria Klebsiella pneumoniae and Enterococcus faecalis and the brown seaweed Chordaria flagelliformis.

  6. Modeling aluminum-silicon chemistries and application to Australian acidic playa lakes as analogues for Mars

    NASA Astrophysics Data System (ADS)

    Marion, G. M.; Crowley, J. K.; Thomson, B. J.; Kargel, J. S.; Bridges, N. T.; Hook, S. J.; Baldridge, A.; Brown, A. J.; Ribeiro da Luz, B.; de Souza Filho, C. R.

    2009-06-01

    Recent Mars missions have stimulated considerable thinking about the surficial geochemical evolution of Mars. Among the major relevant findings are the presence in Meridiani Planum sediments of the mineral jarosite (a ferric sulfate salt) and related minerals that require formation from an acid-salt brine and oxidizing environment. Similar mineralogies have been observed in acidic saline lake sediments in Western Australia (WA), and these lakes have been proposed as analogues for acidic sedimentary environments on Mars. The prior version of the equilibrium chemical thermodynamic FREZCHEM model lacked Al and Si chemistries that are needed to appropriately model acidic aqueous geochemistries on Earth and Mars. The objectives of this work were to (1) add Al and Si chemistries to the FREZCHEM model, (2) extend these chemistries to low temperatures (<0 °C), if possible, and (3) use the reformulated model to investigate parallels in the mineral precipitation behavior of acidic Australian lakes and hypothetical Martian brines. FREZCHEM is an equilibrium chemical thermodynamic model parameterized for concentrated electrolyte solutions using the Pitzer approach for the temperature range from <-70 to 25 °C and the pressure range from 1 to 1000 bars. Aluminum chloride and sulfate mineral parameterizations were based on experimental data. Aluminum hydroxide and silicon mineral parameterizations were based on Gibbs free energy and enthalpy data. New aluminum and silicon parameterizations added 12 new aluminum/silicon minerals to this Na-K-Mg-Ca-Fe(II)-Fe(III)-Al-H-Cl-Br-SO 4-NO 3-OH-HCO 3-CO 3-CO 2-O 2-CH 4-Si-H 2O system that now contain 95 solid phases. There were similarities, differences, and uncertainties between Australian acidic, saline playa lakes and waters that likely led to the Burns formation salt accumulations on Mars. Both systems are similar in that they are dominated by (1) acidic, saline ground waters and sediments, (2) Ca and/or Mg sulfates, and (3) iron

  7. Modeling aluminum-silicon chemistries and application to Australian acidic playa lakes as analogues for Mars

    USGS Publications Warehouse

    Marion, G.M.; Crowley, J.K.; Thomson, B.J.; Kargel, J.S.; Bridges, N.T.; Hook, S.J.; Baldridge, A.; Brown, A.J.; Ribeiro da Luz, B.; de Souza, Filho C.R.

    2009-01-01

    Recent Mars missions have stimulated considerable thinking about the surficial geochemical evolution of Mars. Among the major relevant findings are the presence in Meridiani Planum sediments of the mineral jarosite (a ferric sulfate salt) and related minerals that require formation from an acid-salt brine and oxidizing environment. Similar mineralogies have been observed in acidic saline lake sediments in Western Australia (WA), and these lakes have been proposed as analogues for acidic sedimentary environments on Mars. The prior version of the equilibrium chemical thermodynamic FREZCHEM model lacked Al and Si chemistries that are needed to appropriately model acidic aqueous geochemistries on Earth and Mars. The objectives of this work were to (1) add Al and Si chemistries to the FREZCHEM model, (2) extend these chemistries to low temperatures (<0 ??C), if possible, and (3) use the reformulated model to investigate parallels in the mineral precipitation behavior of acidic Australian lakes and hypothetical Martian brines. FREZCHEM is an equilibrium chemical thermodynamic model parameterized for concentrated electrolyte solutions using the Pitzer approach for the temperature range from <-70 to 25 ??C and the pressure range from 1 to 1000 bars. Aluminum chloride and sulfate mineral parameterizations were based on experimental data. Aluminum hydroxide and silicon mineral parameterizations were based on Gibbs free energy and enthalpy data. New aluminum and silicon parameterizations added 12 new aluminum/silicon minerals to this Na-K-Mg-Ca-Fe(II)-Fe(III)-Al-H-Cl-Br-SO4-NO3-OH-HCO3-CO3-CO2-O2-CH4-Si-H2O system that now contain 95 solid phases. There were similarities, differences, and uncertainties between Australian acidic, saline playa lakes and waters that likely led to the Burns formation salt accumulations on Mars. Both systems are similar in that they are dominated by (1) acidic, saline ground waters and sediments, (2) Ca and/or Mg sulfates, and (3) iron

  8. Applications of particle microbeams in space radiation research.

    PubMed

    Durante, Marco

    2009-03-01

    Galactic cosmic radiation is acknowledged as one of the major barriers to human space exploration. In space, astronauts are exposed to charged particles from Z = 1 (H) up to Z = 28 (Ni), but the probability of a hit to a specific single cell in the human body is low. Particle microbeams can deliver single charged particles of different charge and energy to single cells from different tissues, and microbeam studies are therefore very useful for improving current risk estimates for long-term space travel. 2D in vitro cell cultures can be very useful for establishing basic molecular mechanisms, but they are not sufficient to extrapolate risk, given the substantial evidence proving tissue effects are key in determining the response to radiation insult. 3D tissue or animal systems represent a more promising target for space radiobiology using microbeams.

  9. Application of nonlinear Krylov acceleration to radiative transfer problems

    SciTech Connect

    Till, A. T.; Adams, M. L.; Morel, J. E.

    2013-07-01

    The iterative solution technique used for radiative transfer is normally nested, with outer thermal iterations and inner transport iterations. We implement a nonlinear Krylov acceleration (NKA) method in the PDT code for radiative transfer problems that breaks nesting, resulting in more thermal iterations but significantly fewer total inner transport iterations. Using the metric of total inner transport iterations, we investigate a crooked-pipe-like problem and a pseudo-shock-tube problem. Using only sweep preconditioning, we compare NKA against a typical inner / outer method employing GMRES / Newton and find NKA to be comparable or superior. Finally, we demonstrate the efficacy of applying diffusion-based preconditioning to grey problems in conjunction with NKA. (authors)

  10. Applications of particle microbeams in space radiation research.

    PubMed

    Durante, Marco

    2009-03-01

    Galactic cosmic radiation is acknowledged as one of the major barriers to human space exploration. In space, astronauts are exposed to charged particles from Z = 1 (H) up to Z = 28 (Ni), but the probability of a hit to a specific single cell in the human body is low. Particle microbeams can deliver single charged particles of different charge and energy to single cells from different tissues, and microbeam studies are therefore very useful for improving current risk estimates for long-term space travel. 2D in vitro cell cultures can be very useful for establishing basic molecular mechanisms, but they are not sufficient to extrapolate risk, given the substantial evidence proving tissue effects are key in determining the response to radiation insult. 3D tissue or animal systems represent a more promising target for space radiobiology using microbeams. PMID:19346685

  11. APPLICATIONS OF THE PHOTONUCLEAR FRAGMENTATION MODEL TO RADIATION PROTECTION PROBLEMS

    SciTech Connect

    Pavel Degtiarenko

    1996-01-01

    In order to provide radiation protection systems for high energy electron accelerators it is necessary to define the yields of hadrons produced when the electron beam interacts with a fixed target. In practical terms this will occur when any beam or fraction of the beam is lost from the accelerator orbit or when any fraction of the beam is intercepted by a target inserted in the path of the beam or when the beam is totally absorbed by a beam dump. The electron and gamma yields from these interactions are well characterized and amenable to calculation utilizing Monte Carlo shower codes. However, the yield of hadrons has been less well defined. Neutron production has received most attention because of its importance to radiation shielding. Production mechanisms such as the giant dipole and the quasi-deuteron resonances have provided valuable information for total neutron yields for electron beams at energies less than about 400 MeV. For electron beams at energies extending to 10 GeV it is necessary to include the higher energy resonance structures and the various intranuclear production channels that are available for the production of higher energy neutrons. The production model described in this paper permits the calculation of laboratory angle and energy of all hadrons produced when an electron beam of energy between 100 MeV and 10 GeV interacts with a fixed target. This model can be used as an event generator for Monte Carlo codes used for many radiation protection purposes including calculation of radiation shielding.

  12. Novel Human Radiation Exposure Biomarker Panel Applicable for Population Triage

    SciTech Connect

    Bazan, Jose G.; Chang, Polly; Balog, Robert; D'Andrea, Annalisa; Shaler, Thomas; Lin, Hua; Lee, Shirley; Harrison, Travis; Shura, Lei; Schoen, Lucy; Knox, Susan J.; Cooper, David E.

    2014-11-01

    Purpose: To identify a panel of radiation-responsive plasma proteins that could be used in a point-of-care biologic dosimeter to detect clinically significant levels of ionizing radiation exposure. Methods and Materials: Patients undergoing preparation for hematopoietic cell transplantation using radiation therapy (RT) with either total lymphoid irradiation or fractionated total body irradiation were eligible. Plasma was examined from patients with potentially confounding conditions and from normal individuals. Each plasma sample was analyzed for a panel of 17 proteins before RT was begun and at several time points after RT exposure. Paired and unpaired t tests between the dose and control groups were performed. Conditional inference trees were constructed based on panels of proteins to compare the non-RT group with the RT group. Results: A total of 151 patients (62 RT, 41 infection, 48 trauma) were enrolled on the study, and the plasma from an additional 24 healthy control individuals was analyzed. In comparison with to control individuals, tenascin-C was upregulated and clusterin was downregulated in patients receiving RT. Salivary amylase was strongly radiation responsive, with upregulation in total body irradiation patients and slight downregulation in total lymphoid irradiation patients compared with control individuals. A panel consisting of these 3 proteins accurately distinguished between irradiated patients and healthy control individuals within 3 days after exposure: 97% accuracy, 0.5% false negative rate, 2% false positive rate. The accuracy was diminished when patients with trauma, infection, or both were included (accuracy, 74%-84%; false positive rate, 14%-33%, false negative rate: 8%-40%). Conclusions: A panel of 3 proteins accurately distinguishes unirradiated healthy donors from those exposed to RT (0.8-9.6 Gy) within 3 days of exposure. These findings have significant implications in terms of triaging individuals in the case of nuclear or other

  13. General Relativistic Radiative Transfer: Applications to Black-Hole Systems

    NASA Technical Reports Server (NTRS)

    Wu, Kinwah; Fuerst, Steven V.; Mizuno, Yosuke; Nishikawa, Ken-Ichi; Branduardi-Raymont, Graziella; Lee, Khee-Gan

    2007-01-01

    We present general relativistic radiation transfer formulations which include opacity effects due to absorption, emission and scattering explicitly. We consider a moment expansions for the transfer in the presence of scattering. The formulation is applied to calculation emissions from accretion and outflows in black-hole systems. Cases with thin accretion disks and accretion tori are considered. Effects, such as emission anisotropy, non-stationary flows and geometrical self-occultation are investigated. Polarisation transfer in curved space-time is discussed qualitatively.

  14. Investigation of Multi-decadal Trends in Aerosol Direct Radiative Effects over North America using a Coupled Meteorology-Chemistry Model

    NASA Astrophysics Data System (ADS)

    Mathur, R.; Pleim, J.; Wong, D.; Wei, C.; Xing, J.; Gan, M.; Yu, S.; Binkowski, F.

    2012-12-01

    -wave. New algorithms for the calculation of aerosol optical properties and radiation have been developed by considering both computational efficiency and more realistic aerosol states. Additionally, treatment of aerosol indirect effects on clouds has also recently been implemented. Analysis of measurements of aerosol composition, radiation, and associated variables, over the past two decades will be presented which indicate significant reductions in the tropospheric aerosol burden as well as an increase in down-welling shortwave radiation at numerous sites across the U.S. Initial applications of the coupled WRF-CMAQ model for time-periods pre and post the implementation of Title IV of the CAA will be discussed and comparisons with measurements to assess the model's ability to capture trends in aerosol burden, composition, and direct aerosol effects on surface shortwave radiation will be presented.

  15. Preliminary evaluation of a liquid belt radiator for space applications

    NASA Technical Reports Server (NTRS)

    Teagan, W. P.; Fitzgerald, K.

    1984-01-01

    The liquid belt radiator (LBR) is discussed. The LBR system operates either in the sensible heat mode or in the latent heat mode. Parametric analysis shows that the LBR may reduce the mass of heat pipe radiators by 70 to 90% when the LBR surface has a total emissivity in excess of 0.3. It is indicated that the diffusion pump oils easily meet this criteria with emissivities greater than 0.8. Measurements on gallium indicate that its emissivity is probably in excess of 0.3 in the solid state when small amounts of impurities are on the surface. The point design exhibits a characteristic mass of 3.1 kg/kW of power dissipation, a mass per unit prime radiating area of approximately 0.9 kg/sq ms and a total package volume of approximately 2.50 cubic m. This compares favorably with conventional technologies which have weights on the order of 4 kg/sq m.

  16. NEW APPLICATIONS OF ADAPTOGENS TO REDUCE RADIATION SIDE EFFECTS.

    PubMed

    Alekseeva, S N; Antipina, U D; Arzhakova, L I; Protodyakonov, S V

    2015-01-01

    One of the live medical issues today is to find medication to prevent adverse effects of ionizing radiation on the immune and hematopoietic systems. In Yakutia where in most of its regions the overall environmental situation is getting worse due to the development of natural deposits including radioactive deposits, this problem remains vital. The purpose of this work is to study radioprotective properties of adaptogens in the case of the hematopoietic system under irradiation. The studies were conducted on certain groups of hybrid mice. We used the methods of radiation exposure by a radiological apparatus RUM-25 on hybrid mice followed by studying the cellularity of bone marrow, spleen and thymus. The functional activity of all compartments of early hematopoiesis (bone marrow hematopoiesis) was identified by the exogenous colony forming method. The study found that the extracts of reindeer and moose antlers have a stimulating effect on the functional activity of the hematopoietic precursors in response to radiation. The study medication stimulates regeneration processes in the thymus and bone marrow after irradiation. Further, the adaptogens stimulatory effect on CFU functional activity was identified. The most pronounced effect has the extracts of reindeer antlers "Epsorin". PMID:26887117

  17. Application of multileaf collimator in breast cancer radiation techniques

    NASA Astrophysics Data System (ADS)

    Janiszewska, Marzena; Dupla, Dorota; Nowakowski, Grzegorz

    2004-07-01

    Modern radiation therapy tools allow a precise delivery of a high dose to a target area (so-called planning target volume -- PTV) and spare, at the same time, critical organs in the vicinity of cancerous lesions. One of the tools of conformal therapy is a multi-leaf collimator, which provides the opportunity to optimally adjust the therapeutic field to the tumor area. More difficult areas for radiation therapy include: mamma, after BCT, and chest after mammectomy with regional lymph nodes. The objective of the study is to present technical and physical aspects of breast carcinoma irradiation when applying a multi-leaf collimator. The following techniques were applied: (a) the isocentric technique of tangent fields (from two to four) for the mamma after BCT; (b) the method of a common isocenter, for the areas of mamma and for regional lymph nodes; (c) the technique of complementary photon + electron fields, for the area of chest after mammectomy and lymph nodes. The presented techniques were implemented as standard procedures in the preparation of breast carcinoma radiation treatment in the Lower Silesian Oncology Center.

  18. Minicourses in Chemistry

    ERIC Educational Resources Information Center

    Lygre, D. G.; And Others

    1975-01-01

    Describes nine minicourses in chemistry designed to acquaint the non-science major with practical applications of chemistry in everyday experiences. Each course consists of daily classes for two weeks for one credit and is offered on a credit/no credit basis. (MLH)

  19. Application of photoacoustic, photothermal and fluorescence spectroscopies in signal enhancement and the kinetics, chemistry and photophysics of several dyes

    SciTech Connect

    Isak, S.J.

    1992-06-01

    Modified photoacoustic and photothermal spectroscopies are applied in analytical studies of liquid and solid systems. Quenching of benzophenone by potassium iodide is used to demonstrate application of time resolved photothermal spectroscopies in study of fast (submicrosecond) deexcitation processes. Inherently weak X-ray photoacoustic signals at a synchrotron are enhanced by the introduction of a volatile liquid into a gas-microphone photoacoustic cell. Traditionally, photoacoustic signals have been detected either by gas coupling with a microphone or with a piezoelectric detector. However, optically detected photoacoustic signals have been used in the determination of physical properties of a liquid sample system and are successfully applied to the study of deexcitation processes of a number of dye molecules. Photothermal beam deflection photoacoustic (PBDPA), fluorescence and absorbance measurements are utilized to study the chemistry and photophysics of cresyl violet in aqueous, aqueous micellar and methanolic solutions. A concentration dependence of the fluorescence quantum yield of cresyl violet is investigated. Aspects of chemistry and photophysics relating to potential use of several diazo dyes as photothermal sensitizing dyes in photodynamic therapy are explored experimentally and discussed. Photothermal beam deflection, fluorescence and absorbance measurements are again utilized. The dyes are found to have a number of interesting chemical and photophysical properties. They are also determined to be ideal photothermal sensitizing dye candidates.

  20. Application of the conditional source-term estimation model for turbulence-chemistry interactions in a premixed flame

    NASA Astrophysics Data System (ADS)

    Salehi, M. M.; Bushe, W. K.; Daun, K. J.

    2012-04-01

    Conditional Source-term Estimation (CSE) is a closure model for turbulence-chemistry interactions. This model uses the first-order CMC hypothesis to close the chemical reaction source terms. The conditional scalar field is estimated by solving an integral equation using inverse methods. It was originally developed and has been used extensively in non-premixed combustion. This work is the first application of this combustion model for a premixed flame. CSE is coupled with a Trajectory Generated Low-Dimensional Manifold (TGLDM) model for chemistry. The CSE-TGLDM combustion model is used in a RANS code to simulate a turbulent premixed Bunsen burner. Along with this combustion model, a similar model which relies on the flamelet assumption is also used for comparison. The results of these two approaches in the prediction of the velocity field, temperature and species mass fractions are compared together. Although the flamelet model is less computationally expensive, the CSE combustion model is more general and does not have the limiting assumption underlying the flamelet model.

  1. A recyclable heavy fluorous tag carrying an allyl alcohol pendant group: design and evaluation toward applications in synthetic carbohydrate chemistry.

    PubMed

    Fukuda, Kazuo; Tojino, Mami; Goto, Kohtaro; Dohi, Hirofumi; Nishida, Yoshihiro; Mizuno, Mamoru

    2015-04-30

    Toward applications in synthetic carbohydrate chemistry, we converted our previous acid-resistant heavy fluorous tag [(Rf)3C-CH2-OH, 1] to allyl alcohol derivatives [(Rf)3C-CH2-O-(CH2)n-CH=CH-CH2-OH, 3 (n=1) or 4 (n=3)] by means of olefin cross metathesis. They were then subjected to β-glycosylation reactions by using a series of glycosyl donors, including glycosyl bromide and trichloroacetimidates. The terminal OH group in 3 and 4 was found to be β-glycosylated in moderate yield when 2,3,4,6-tetra-O-benzoyl-D-galactosyl trichloroacetimidate was used as the glycosyl donor. Upon a detachment reaction using Pd(PPh3)4, the initial heavy fluorous tag 1 was recovered in high yield (>90%) together with 1-hydroxy sugar, indicating that not only the allyl ether linkage in the glycosides but also the internal di-alkyl ether linkage in 4 be cleaved by the action of the Pd-catalyst enabling long-range olefin transmigration. Potential utility was demonstrated by using the tetra-O-benzoyl-β-D-galactosylated derivative of 3 in a series of deprotection, protection and glycosylation reactions, which were conductible in high yields without using chromatographic purification process. These findings prompt us to propose a general scheme in which the acid-resistant heavy fluorous compound 1 is applied as a recyclable tag in synthetic carbohydrate chemistry.

  2. Global Impacts of Gas-Phase Chemistry-Aerosol Interactions on Direct Radiative Forcing by Anthropogenic Aerosols and Ozone

    NASA Technical Reports Server (NTRS)

    Liao, Hong; Seinfeld, John H.

    2005-01-01

    We present here a first global modeling study on the influence of gas-phase chemistry/aerosol interactions on estimates of anthropogenic forcing by tropospheric O3 and aerosols. Concentrations of gas-phase species and sulfate, nitrate, ammonium, black carbon, primary organic carbon, secondary organic carbon, sea salt, and mineral dust aerosols in the preindustrial, present-day, and year 2100 (IPCC SRES A2) atmospheres are simulated online in the Goddard Institute for Space Studies general circulation model II' (GISS GCM II'). With fully coupled chemistry and aerosols, the preindustrial, presentday, and year 2100 global burdens of tropospheric ozone are predicted to be 190, 319, and 519 Tg, respectively. The burdens of sulfate, nitrate, black carbon, and organic carbon are predicted respectively to be 0.32. 0.18, 0.01, 0.33 Tg in preindustrial time, 1.40, 0.48, 0.23, 1.60 Tg in presentday, and 1.37, 1.97, 0.54, 3.31 Tg in year 2100. Anthropogenic O3 is predicted to have a globally and annually averaged present-day forcing of +0.22 W m(sup -2) and year 2100 forcing of +0.57 W m(sup -2) at the top of the atmosphere (TOA). Net anthropogenic TOA forcing by internally mixed sulfate, nitrate, organic carbon, and black carbon aerosols is estimated to be virtually zero in the present-day and +0.34 W m(sup -2) in year 2100, whereas it is predicted to be -0.39 W m(sup -2) in present-day and -0.61 W m(sup -2) in year 2100 if the aerosols are externally mixed. Heterogeneous reactions are shown to be important in affecting anthropogenic forcing. When reactions of N2O5, NO3, NO2, and HO2 on aerosols are accounted for, TOA anthropogenic O3 forcing is less by 20-45% in present-day and by 20-32% in year 2100 at mid to high latitudes in the Northern Hemisphere, as compared with values predicted in the absence of heterogeneous gas aerosol reactions. Mineral dust uptake of HNO3 and O3 is shown to have practically no influence on anthropogenic O3 forcing. Heterogeneous reactions of N2Os

  3. Radiation

    NASA Video Gallery

    Outside the protective cocoon of Earth's atmosphere, the universe is full of harmful radiation. Astronauts who live and work in space are exposed not only to ultraviolet rays but also to space radi...

  4. How green is a chemical reaction? Application of LCA to green chemistry.

    PubMed

    Domènech, Xavier; Ayllón, José A; Peral, José; Rieradevall, Joan

    2002-12-15

    In the present work Life Cycle Assessment (LCA) is used in order to evaluate a chemical reaction from an environmental point of view. The objective is to assess the usefulness of this methodology as an environmental tool to be applied to green chemistry. As an example, two routes of obtaining maleic anhydride are compared using LCA, to ascertain which one is the most environmentally friendly. From the results obtained in this work it can be concluded that LCA seems to be a valuable tool for the environmental assessment of a chemical reaction, because it takes into account all the life cycle stages of the process and discusses the impact of the environmental burdens inventoried according to a diversity of impact categories. PMID:12521184

  5. DEVELOPMENT OF ROOM TEMPERATURE IONIC LIQUIDS FOR APPLICATIONS IN ACTINIDE CHEMISTRY

    SciTech Connect

    W. OLDHAM; D. COSTA; W. SMITH

    2001-05-01

    One area of on-going research in our group at Los Alamos National Laboratory is directed toward characterization of the basic coordination chemistry and electrochemical behavior of f-element ions dissolved in room temperature ionic liquids (RTILs). The ultimate goal of this work is to introduce advanced, environmentally sustainable, nuclear processing and purification strategies into both the DOE complex and the civilian nuclear industry. Efforts to develop ambient temperature electrorefining and/or electrowinning technologies are focused on the design of ionic liquids characterized by extended cathodic stability. In this chapter a summary of the synthesis, physical properties and electrochemical behavior of the ionic liquids used in this work is presented. The feasibility of efficient electrochemical production of high electropositive metals is demonstrated through reversible plating and stripping of sodium and potassium metals.

  6. Reactive Force Field for Liquid Hydrazoic Acid with Applications to Detonation Chemistry

    NASA Astrophysics Data System (ADS)

    Furman, David; Dubnikova, Faina; van Duin, Adri; Zeiri, Yehuda; Kosloff, Ronnie

    The development of a reactive force field (ReaxFF formalism) for Hydrazoic acid (HN3), a highly sensitive liquid energetic material, is reported. The force field accurately reproduces results of density functional theory (DFT) calculations. The quality and performance of the force field are examined by detailed comparison with DFT calculations related to uni, bi and trimolecular thermal decomposition routes. Reactive molecular dynamics (RMD) simulations are performed to reveal the initial chemical events governing the detonation chemistry of liquid HN3. The outcome of these simulations compares very well with recent results of tight-binding DFT molecular dynamics and thermodynamic calculations. Based on our RMD simulations, predictions were made for the activation energies and volumes in a broad range of temperatures and initial material compressions. Work Supported by The Center of Excellence for Explosives Detection, Mitigation and Response, Department of Homeland Security.

  7. Investigations of the Radiative Drive Produced by the Sandia Z-Pinch Machine and its Applications

    NASA Astrophysics Data System (ADS)

    Aubrey, Joysree; Bowers, Richard; Peterson, Darrell

    2000-10-01

    The Z-Machine at Sandia National Laboratories in Albuquerque, New Mexico is a reliable and high-quality source of soft x-rays which can be used for a variety of applications in the study of physics phenomena. Radiation temperatures of 250 eV with pulse widths of 5 ns FWHM in a central target are typical. The x-rays are produced when the kinetic energy of an imploding cylindrical plasma sheath is converted to internal and radiative energy as it decelerates and stagnates against a central foam target. We have used two-dimensional Lagrangian and Eulerian codes to simulate the generation and transport of radiation in the system. Sensitivities of the calculational results to material properties (such as foam opacities) and various radiation models have been investigated. The results of these parameter studies are presented along with predictions of the spectral distribution of the radiation and the energy output as a function of time.

  8. TOMS as a monitor of the ultraviolet radiation environment: Applications to photobiology

    NASA Technical Reports Server (NTRS)

    Frederick, John E.

    1987-01-01

    The flux of biologically relevant ultraviolet radiation that reaches the surface of the Earth varies with the ozone amount, surface reflectivity, and cloudcover. The Total Ozone Mapping Spectrometer (TOMS) provides information relevant to all three items. A recent application of satellite-based ozone measurements has been to develop climatologies of the biologically significant UV-B radiation reaching the Earth's surface. A growing body of research suggests that UV-B radiation tends to suppress the immune system of laboratory mice. At tropical latitudes, it is likely that parasitical diseases develop most readily in people who have experienced immune system suppression from UV-B exposure. The computed distribution of surface radiation combined with information on disease incidence may clarify the role of UV-B as a suppressor of the human immune system. TOMS used in conjunction with radiative transfer calculations can provide information of relevance in photobiology.

  9. Development of solvent-free ambient mass spectrometry for green chemistry applications.

    PubMed

    Liu, Pengyuan; Forni, Amanda; Chen, Hao

    2014-04-15

    Green chemistry minimizes chemical process hazards in many ways, including eliminating traditional solvents or using alternative recyclable solvents such as ionic liquids. This concept is now adopted in this study for monitoring solvent-free reactions and analysis of ionic liquids, solids, and catalysts by mass spectrometry (MS), without using any solvent. In our approach, probe electrospray ionization (PESI), an ambient ionization method, was employed for this purpose. Neat viscous room-temperature ionic liquids (RTILs) in trace amounts (e.g., 25 nL) could be directly analyzed without sample carryover effect, thereby enabling high-throughput analysis. With the probe being heated, it can also ionize ionic solid compounds such as organometallic complexes as well as a variety of neat neutral solid chemicals (e.g., amines). More importantly, moisture-sensitive samples (e.g., [bmim][AlCl4]) can be successfully ionized. Furthermore, detection of organometallic catalysts (including air-sensitive [Rh-MeDuPHOS][OTf]) in ionic liquids, a traditionally challenging task due to strong ion suppression effect from ionic liquids, can be enabled using PESI. In addition, PESI can be an ideal approach for monitoring solvent-free reactions. Using PESI-MS, we successfully examined the alkylation of amines by alcohols, the conversion of pyrylium into pyridinium, and the condensation of aldehydes with indoles as well as air- and moisture-sensitive reactions such as the oxidation of ferrocene and the condensation of pyrazoles with borohydride. Interestingly, besides the expected reaction products, the reaction intermediates such as the monopyrazolylborate ion were also observed, providing insightful information for reaction mechanisms. We believe that the presented solvent-free PESI-MS method would impact the green chemistry field. PMID:24670064

  10. Development of solvent-free ambient mass spectrometry for green chemistry applications.

    PubMed

    Liu, Pengyuan; Forni, Amanda; Chen, Hao

    2014-04-15

    Green chemistry minimizes chemical process hazards in many ways, including eliminating traditional solvents or using alternative recyclable solvents such as ionic liquids. This concept is now adopted in this study for monitoring solvent-free reactions and analysis of ionic liquids, solids, and catalysts by mass spectrometry (MS), without using any solvent. In our approach, probe electrospray ionization (PESI), an ambient ionization method, was employed for this purpose. Neat viscous room-temperature ionic liquids (RTILs) in trace amounts (e.g., 25 nL) could be directly analyzed without sample carryover effect, thereby enabling high-throughput analysis. With the probe being heated, it can also ionize ionic solid compounds such as organometallic complexes as well as a variety of neat neutral solid chemicals (e.g., amines). More importantly, moisture-sensitive samples (e.g., [bmim][AlCl4]) can be successfully ionized. Furthermore, detection of organometallic catalysts (including air-sensitive [Rh-MeDuPHOS][OTf]) in ionic liquids, a traditionally challenging task due to strong ion suppression effect from ionic liquids, can be enabled using PESI. In addition, PESI can be an ideal approach for monitoring solvent-free reactions. Using PESI-MS, we successfully examined the alkylation of amines by alcohols, the conversion of pyrylium into pyridinium, and the condensation of aldehydes with indoles as well as air- and moisture-sensitive reactions such as the oxidation of ferrocene and the condensation of pyrazoles with borohydride. Interestingly, besides the expected reaction products, the reaction intermediates such as the monopyrazolylborate ion were also observed, providing insightful information for reaction mechanisms. We believe that the presented solvent-free PESI-MS method would impact the green chemistry field.

  11. Synchrotron radiation applications in medical research at Brookhaven National Laboratory

    SciTech Connect

    Thomlinson, W.

    1997-08-01

    In the relatively short time that synchrotrons have been available to the scientific community, their characteristic beams of UV and X-ray radiation have been applied to virtually all areas of medical science which use ionizing radiation. The ability to tune intense monochromatic beams over wide energy ranges clearly differentiates these sources from standard clinical and research tools. The tunable spectrum, high intrinsic collimation of the beams, polarization and intensity of the beams make possible in-vitro and in-vivo research and therapeutic programs not otherwise possible. From the beginning of research operation at the National Synchrotron Light Source (NSLS), many programs have been carrying out basic biomedical research. At first, the research was limited to in-vitro programs such as the x-ray microscope, circular dichroism, XAFS, protein crystallography, micro-tomography and fluorescence analysis. Later, as the coronary angiography program made plans to move its experimental phase from SSRL to the NSLS, it became clear that other in-vivo projects could also be carried out at the synchrotron. The development of SMERF (Synchrotron Medical Research Facility) on beamline X17 became the home not only for angiography but also for the MECT (Multiple Energy Computed Tomography) project for cerebral and vascular imaging. The high energy spectrum on X17 is necessary for the MRT (Microplanar Radiation Therapy) experiments. Experience with these programs and the existence of the Medical Programs Group at the NSLS led to the development of a program in synchrotron based mammography. A recent adaptation of the angiography hardware has made it possible to image human lungs (bronchography). Fig. 1 schematically depicts the broad range of active programs at the NSLS.

  12. Solar Cycle Variation and Application to the Space Radiation Environment

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Kim, Myung-Hee Y.; Shinn, Judy L.; Tai, Hsiang; Cucinotta, Francis A.; Badhwar, Gautam D.; Badavi, Francis F.; Atwell, William

    1999-01-01

    The interplanetary plasma and fields are affected by the degree of disturbance that is related to the number and types of sunspots in the solar surface. Sunspot observations were improved with the introduction of the telescope in the seventeenth century, allowing observations which cover many centuries. A single quantity (sunspot number) was defined by Wolf in 1848 that is now known to be well correlated with many space observable quantities and is used herein to represent variations caused in the space radiation environment. The resultant environmental models are intended for future aircraft and space-travel-related exposure estimates.

  13. Electromagnetic radiation screening of semiconductor devices for long life applications

    NASA Technical Reports Server (NTRS)

    Hall, T. C.; Brammer, W. G.

    1972-01-01

    A review is presented of the mechanism of interaction of electromagnetic radiation in various spectral ranges, with various semiconductor device defects. Previous work conducted in this area was analyzed as to its pertinence to the current problem. The task was studied of implementing electromagnetic screening methods in the wavelength region determined to be most effective. Both scanning and flooding type stimulation techniques are discussed. While the scanning technique offers a considerably higher yield of useful information, a preliminary investigation utilizing the flooding approach is first recommended because of the ease of implementation, lower cost and ability to provide go-no-go information in semiconductor screening.

  14. Space Rocks Tell Their Secrets: Space Science Applications of Physics and Chemistry for High School and College Classes. Update.

    NASA Technical Reports Server (NTRS)

    Lindstrom, M. M.; Tobola, K. W.; Allen, J. S.; Stocco, K.; Henry, M.; Allen, J. S.; McReynolds, Julie; Porter, T. Todd; Veile, Jeri

    2005-01-01

    As the scientific community studies Mars remotely for signs of life and uses Martian meteorites as its only available samples, teachers, students, and the general public continue to ask, "How do we know these meteorites are from Mars?" This question sets the stage for a six-lesson instructional package Space Rocks Tell Their Secrets. Expanding on the short answer "It's the chemistry of the rock", students are introduced to the research that reveals the true identities of the rocks. Since few high school or beginning college students have the opportunity to participate in this level of research, a slide presentation introduces them to the labs, samples, and people involved with the research. As they work through the lessons and interpret authentic data, students realize that the research is an application of two basic science concepts taught in the classroom, the electromagnetic spectrum and isotopes. Additional information is included in the original extended abstract.

  15. Space Rocks Tell Their Secrets: Space Science Applications of Physics and Chemistry for High School and College Classes

    NASA Technical Reports Server (NTRS)

    Lindstrom, M. M.; Tobola, K. W.; Stocco, K.; Henry, M.; Allen, J. S.

    2003-01-01

    As the scientific community studies Mars remotely for signs of life and uses Martian meteorites as its only available samples, teachers, students, and the general public continue to ask, "How do we know these meteorites are from Mars?" This question sets the stage for a three-lesson instructional package Space Rocks Tell Their Secrets. Expanding on the short answer "It's the chemistry of the rock", students are introduced to the research that reveals the true identities of the rocks. Since few high school or beginning college students have the opportunity to participate in this level of research, a slide presentation introduces them to the labs, samples, and people involved with the research. As they work through the lessons and interpret real data, students realize that the research is an application of basic science concepts they should know, the electromagnetic spectrum and isotopes. They can understand the results without knowing how to do the research or operate the instruments.

  16. Space Rocks Tell Their Secrets: Space Science Applications of Physics and Chemistry for High School and College Classes: Update

    NASA Technical Reports Server (NTRS)

    Lindstrom, M. M.; Tobola, K. W.; Stocco, K.; Henry, M.; Allen, J. S.; McReynolds, Julie; Porter, T. Todd; Veile, Jeri

    2004-01-01

    As the scientific community studies Mars remotely for signs of life and uses Martian meteorites as its only available samples, teachers, students, and the general public continue to ask, How do we know these meteorites are from Mars? This question sets the stage for a six-lesson instructional package Space Rocks Tell Their Secrets. Expanding on the short answer It s the chemistry of the rock , students are introduced to the research that reveals the true identities of the rocks. Since few high school or beginning college students have the opportunity to participate in this level of research, a slide presentation introduces them to the labs, samples, and people involved with the research. As they work through the lessons and interpret authentic data, students realize that the research is an application of two basic science concepts taught in the classroom, the electromagnetic spectrum and isotopes.

  17. Dynamic Electrothermal Model of a Sputtered Thermopile Thermal Radiation Detector for Earth Radiation Budget Applications

    NASA Technical Reports Server (NTRS)

    Weckmann, Stephanie

    1997-01-01

    The Clouds and the Earth's Radiant Energy System (CERES) is a program sponsored by the National Aeronautics and Space Administration (NASA) aimed at evaluating the global energy balance. Current scanning radiometers used for CERES consist of thin-film thermistor bolometers viewing the Earth through a Cassegrain telescope. The Thermal Radiation Group, a laboratory in the Department of Mechanical Engineering at Virginia Polytechnic Institute and State University, is currently studying a new sensor concept to replace the current bolometer: a thermopile thermal radiation detector. This next-generation detector would consist of a thermal sensor array made of thermocouple junction pairs, or thermopiles. The objective of the current research is to perform a thermal analysis of the thermopile. Numerical thermal models are particularly suited to solve problems for which temperature is the dominant mechanism of the operation of the device (through the thermoelectric effect), as well as for complex geometries composed of numerous different materials. Feasibility and design specifications are studied by developing a dynamic electrothermal model of the thermopile using the finite element method. A commercial finite element-modeling package, ALGOR, is used.

  18. Application of Histogram Analysis in Radiation Therapy (HART) in Intensity Modulation Radiation Therapy (IMRT) Treatments

    NASA Astrophysics Data System (ADS)

    Pyakuryal, Anil

    2009-03-01

    A carcinoma is a malignant cancer that emerges from epithelial cells in structures through out the body.It invades the critical organs, could metastasize or spread to lymph nodes.IMRT is an advanced mode of radiation therapy treatment for cancer. It delivers more conformal doses to malignant tumors sparing the critical organs by modulating the intensity of radiation beam.An automated software, HART (S. Jang et al.,2008,Med Phys 35,p.2812) was used for efficient analysis of dose volume histograms (DVH) for multiple targets and critical organs in four IMRT treatment plans for each patient. IMRT data for ten head and neck cancer patients were exported as AAPM/RTOG format files from a commercial treatment planning system at Northwestern Memorial Hospital (NMH).HART extracted DVH statistics were used to evaluate plan indices and to analyze dose tolerance of critical structures at prescription dose (PD) for each patient. Mean plan indices (n=10) were found to be in good agreement with published results for Linac based plans. The least irradiated volume at tolerance dose (TD50) was observed for brainstem and the highest volume for larynx in SIB treatment techniques. Thus HART, an open source platform, has extensive clinical implications in IMRT treatments.

  19. Application of new technologies to radiation biodosimetry in mammalian systems

    NASA Astrophysics Data System (ADS)

    Sutherland, R. M.; Lord, E. M.; Keng, P. C.

    1986-02-01

    Mononuclear cells from peripheral blood are presently the best candidates for a space radiation biodosimeter for man because they are easily obtained, and are among the most radiosensitive cells in the body. They are, however, members of a highly heterogeneous population of cell subtypes potentially differing in radiosensitivities. To study the cell subpopulation holding the greatest potential for use as a biodosimeter, the cell types must be uniquely identified, and/or separated so that subtle effects on radiosensitive cells are not masked by non-effects on relatively radioresistant cells present in a mixed population. Flow cytometry and centrifugal elutriation are proving to be useful for identifying and separating individual subpopulations from heterogeneous mixtures of cells. Flow cytometry uses fluorescent antibodies to label and sort the cells of interest, while centrifugal elutriation utilizes counterbalanced centrifugal and fluid flow forces to separate cells by size. In combination with two analytical procedures (premature chromosome condensation (PCC) and alkaline elution), these two techniques have been applied to study radiation effects on mononuclear cells from mouse peripheral blood irradiated in vivo, and cell cycle phase specific repair of single-strand breaks in cellular deoxyribonucleic acid (DNA) of the Chinese hamster ovary (CHO) fibroblast cell line irradiated in vitro.

  20. Selecting a radiation tolerant piezoelectric material for nuclear reactor applications

    SciTech Connect

    Parks, D. A.; Reinhardt, B. T.; Tittmann, B. R.

    2013-01-25

    Bringing systems for online monitoring of nuclear reactors to fruition has been delayed by the lack of suitable ultrasonic sensors. Recent work has demonstrated the capability of an AlN sensor to perform ultrasonic evaluation in an actual nuclear reactor. Although the AlN demonstrated sustainability, no loss in signal amplitude and d{sub 33} up to a fast and thermal neutron fluence of 1.85 Multiplication-Sign 1018 n/cm{sup 2} and 5.8 Multiplication-Sign 1018 n/cm{sup 2} respectively, no formal process to selecting a suitable sensor material was made. It would be ideal to use first principles approaches to somehow reduce each candidate piezoelectric material to a simple ranking showing directly which materials one should expect to be most radiation tolerant. However, the complexity of the problem makes such a ranking impractical and one must appeal to experimental observations. This should not be of any surprise to one whom is familiar with material science as most material properties are obtained in this manner. Therefore, this work adopts a similar approach, the mechanisms affecting radiation tolerance are discussed and a good engineering sense is used for material qualification of the candidate piezoelectric materials.

  1. Overview of the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Forcing on the Mediterranean Climate (ChArMEx/ADRIMED) summer 2013 campaign

    NASA Astrophysics Data System (ADS)

    Mallet, M.; Dulac, F.; Formenti, P.; Nabat, P.; Sciare, J.; Roberts, G.; Pelon, J.; Ancellet, G.; Tanré, D.; Parol, F.; Denjean, C.; Brogniez, G.; di Sarra, A.; Alados-Arboledas, L.; Arndt, J.; Auriol, F.; Blarel, L.; Bourrianne, T.; Chazette, P.; Chevaillier, S.; Claeys, M.; D'Anna, B.; Derimian, Y.; Desboeufs, K.; Di Iorio, T.; Doussin, J.-F.; Durand, P.; Féron, A.; Freney, E.; Gaimoz, C.; Goloub, P.; Gómez-Amo, J. L.; Granados-Muñoz, M. J.; Grand, N.; Hamonou, E.; Jankowiak, I.; Jeannot, M.; Léon, J.-F.; Maillé, M.; Mailler, S.; Meloni, D.; Menut, L.; Momboisse, G.; Nicolas, J.; Podvin, T.; Pont, V.; Rea, G.; Renard, J.-B.; Roblou, L.; Schepanski, K.; Schwarzenboeck, A.; Sellegri, K.; Sicard, M.; Solmon, F.; Somot, S.; Torres, B.; Totems, J.; Triquet, S.; Verdier, N.; Verwaerde, C.; Waquet, F.; Wenger, J.; Zapf, P.

    2016-01-01

    The Chemistry-Aerosol Mediterranean Experiment (ChArMEx; http://charmex.lsce.ipsl.fr) is a collaborative research program federating international activities to investigate Mediterranean regional chemistry-climate interactions. A special observing period (SOP-1a) including intensive airborne measurements was performed in the framework of the Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region (ADRIMED) project during the Mediterranean dry season over the western and central Mediterranean basins, with a focus on aerosol-radiation measurements and their modeling. The SOP-1a took place from 11 June to 5 July 2013. Airborne measurements were made by both the ATR-42 and F-20 French research aircraft operated from Sardinia (Italy) and instrumented for in situ and remote-sensing measurements, respectively, and by sounding and drifting balloons, launched in Minorca. The experimental setup also involved several ground-based measurement sites on islands including two ground-based reference stations in Corsica and Lampedusa and secondary monitoring sites in Minorca and Sicily. Additional measurements including lidar profiling were also performed on alert during aircraft operations at EARLINET/ACTRIS stations at Granada and Barcelona in Spain, and in southern Italy. Remote-sensing aerosol products from satellites (MSG/SEVIRI, MODIS) and from the AERONET/PHOTONS network were also used. Dedicated meso-scale and regional modeling experiments were performed in relation to this observational effort. We provide here an overview of the different surface and aircraft observations deployed during the ChArMEx/ADRIMED period and of associated modeling studies together with an analysis of the synoptic conditions that determined the aerosol emission and transport. Meteorological conditions observed during this campaign (moderate temperatures and southern flows) were not favorable to producing high

  2. The radiation induced chemistry of uranyl cation in aqueous carbonate –bicarbonate solutions as followed by NMR spectroscopy

    SciTech Connect

    McNamara, Bruce K.; Snow, Lanee A.; Soderquist, Chuck Z.; Sinkov, Sergei I.; Cho, Herman M.; Friese, Judah I.

    2006-05-01

    Alpha radiation induced formation of hydrogen peroxide in carbonate ?bicarbonate media was followed by 13C NMR using dissolved [233UO2(13CO3)3]4- as the alpha source (Dalpha= 12.1 Gy/hr). Between the pH region between 5.9 and 11.6 hydrogen peroxide causes a varied speciation of the uranyl carbonates that is a function of the uranium, carbonate and the hydrogen peroxide concentrations. It is shown that the speciation of the peroxy carbonates (or other species) formed in solution by titration with hydrogen peroxide are common to those formed by hydrogen peroxide generated by radiolysis. The radiolysis experiment was carried out above pH = 9.96 to minimize the loss of 13CO2 over a 2800 hr period. Radiolytic generation of hydrogen peroxide was followed by formation of a uranyl peroxy carbonate complex and complex formation accelerated for about 1200 hours. Complex formation was observed to terminate at a concentration between 1x10-4 and 5x10-4 M. It is assumed that either a steady state H2O2 production rate was established in solution or that some limiting feature of the experiment was responsible for slowing the yield of product.

  3. Art in Chemistry: Chemistry in Art. Second Edition

    ERIC Educational Resources Information Center

    Greenberg, Barbara R.; Patterson, Dianne

    2008-01-01

    This textbook integrates chemistry and art with hands-on activities and fascinating demonstrations that enable students to see and understand how the science of chemistry is involved in the creation of art. It investigates such topics as color integrated with electromagnetic radiation, atoms, and ions; paints integrated with classes of matter,…

  4. Chemistry 200, 300 Interim Guide.

    ERIC Educational Resources Information Center

    Manitoba Dept. of Education, Winnipeg.

    This guide, developed for the chemistry 200, 300 program in Manitoba, is designed to articulate with previous science courses, provide concepts, processes, and skills which will enable students to continue in chemistry-related areas, and relate chemistry to practical applications in everyday life. It includes a program overview (with program goals…

  5. Modeling ferrous ferric iron chemistry with application to martian surface geochemistry

    NASA Astrophysics Data System (ADS)

    Marion, Giles M.; Kargel, Jeffrey S.; Catling, David C.

    2008-01-01

    The Mars Global Surveyor, Mars Exploration Rover, and Mars Express missions have stimulated considerable thinking about the surficial geochemical evolution of Mars. Among the major recent mission findings are the presence of jarosite (a ferric sulfate salt), which requires formation from an acid-sulfate brine, and the occurrence of hematite and goethite on Mars. Recent ferric iron models have largely focused on 25 °C, which is a major limitation for models exploring the geochemical history of cold bodies such as Mars. Until recently, our work on low-temperature iron-bearing brines involved ferrous but not ferric iron, also obviously a limitation. The objectives of this work were to (1) add ferric iron chemistry to an existing ferrous iron model (FREZCHEM), (2) extend this ferrous/ferric iron geochemical model to lower temperatures (<0 °C), and (3) use the reformulated model to explore ferrous/ferric iron chemistries on Mars. The FREZCHEM model is an equilibrium chemical thermodynamic model parameterized for concentrated electrolyte solutions using the Pitzer approach for the temperature range from <-70 to 25 °C and the pressure range from 1 to 1000 bars. Ferric chloride and sulfate mineral parameterizations were based, in part, on experimental data. Ferric oxide/hydroxide mineral parameterizations were based exclusively on Gibbs free energy and enthalpy data. New iron parameterizations added 23 new ferrous/ferric minerals to the model for this Na-K-Mg-Ca-Fe(II)-Fe(III)-H-Cl-SO 4-NO 3-OH-HCO 3-CO 3-CO 2-O 2-CH 4-H 2O system. The model was used to develop paragenetic sequences for Rio Tinto waters on Earth and a hypothetical Martian brine derived from acid weathering of basaltic minerals. In general, model simulations were in agreement with field evidence on Earth and Mars in predicting precipitation of stable iron minerals such as jarosites, goethite, and hematite. In addition, paragenetic simulations for Mars suggest that other iron minerals such as

  6. Parameterization of plume chemistry into large-scale atmospheric models: Application to aircraft NOx emissions

    NASA Astrophysics Data System (ADS)

    Cariolle, D.; Caro, D.; Paoli, R.; Hauglustaine, D. A.; CuéNot, B.; Cozic, A.; Paugam, R.

    2009-10-01

    A method is presented to parameterize the impact of the nonlinear chemical reactions occurring in the plume generated by concentrated NOx sources into large-scale models. The resulting plume parameterization is implemented into global models and used to evaluate the impact of aircraft emissions on the atmospheric chemistry. Compared to previous approaches that rely on corrected emissions or corrective factors to account for the nonlinear chemical effects, the present parameterization is based on the representation of the plume effects via a fuel tracer and a characteristic lifetime during which the nonlinear interactions between species are important and operate via rates of conversion for the NOx species and an effective reaction rates for O3. The implementation of this parameterization insures mass conservation and allows the transport of emissions at high concentrations in plume form by the model dynamics. Results from the model simulations of the impact on atmospheric ozone of aircraft NOx emissions are in rather good agreement with previous work. It is found that ozone production is decreased by 10 to 25% in the Northern Hemisphere with the largest effects in the north Atlantic flight corridor when the plume effects on the global-scale chemistry are taken into account. These figures are consistent with evaluations made with corrected emissions, but regional differences are noticeable owing to the possibility offered by this parameterization to transport emitted species in plume form prior to their dilution at large scale. This method could be further improved to make the parameters used by the parameterization function of the local temperature, humidity and turbulence properties diagnosed by the large-scale model. Further extensions of the method can also be considered to account for multistep dilution regimes during the plume dissipation. Furthermore, the present parameterization can be adapted to other types of point-source NOx emissions that have to be

  7. Modeling aqueous ferrous iron chemistry at low temperatures with application to Mars

    USGS Publications Warehouse

    Marion, G.M.; Catling, D.C.; Kargel, J.S.

    2003-01-01

    Major uncertainties exist with respect to the aqueous geochemical evolution of the Martian surface. Considering the prevailing cryogenic climates and the abundance of salts and iron minerals on Mars, any attempt at comprehensive modeling of Martian aqueous chemistry should include iron chemistry and be valid at low temperatures and high solution concentrations. The objectives of this paper were to (1) estimate ferrous iron Pitzer-equation parameters and iron mineral solubility products at low temperatures (from < 0 ??C to 25 ??C), (2) incorporate these parameters and solubility products into the FREZCHEM model, and (3) use the model to simulate the surficial aqueous geochemical evolution of Mars. Ferrous iron Pitzer-equation parameters were derived in this work or taken from the literature. Six new iron minerals [FeCl2??4H2O, FeCl2??6H2O, FeSO4??H2O, FeSO4??7H2O, FeCO3, and Fe(OH)3] were added to the FREZCHEM model bringing the total solid phases to 56. Agreement between model predictions and experimental data are fair to excellent for the ferrous systems: Fe-Cl, Fe-SO4, Fe-HCO3, H-Fe-Cl, and H-Fe-SO4. We quantified a conceptual model for the aqueous geochemical evolution of the Martian surface. The five stages of the conceptual model are: (1) carbonic acid weathering of primary ferromagnesian minerals to form an initial magnesium-iron-bicarbonate-rich solution; (2) evaporation and precipitation of carbonates, including siderite (FeCO3), with evolution of the brine to a concentrated NaCl solution; (3) ferrous/ferric iron oxidation; (4) either evaporation or freezing of the brine to dryness; and (5) surface acidification. What began as a dilute Mg-Fe-HCO3 dominated leachate representing ferromagnesian weathering evolved into an Earth-like seawater composition dominated by NaCl, and finally into a hypersaline Mg-Na-SO4-Cl brine. Weathering appears to have taken place initially under conditions that allowed solution of ferrous iron [low O2(g)], but later caused

  8. Response of Clay Chemistry to Extreme Heating During Fire Events: Applications to Archaeology.

    NASA Astrophysics Data System (ADS)

    Lintz, L.; Werts, S. P.

    2015-12-01

    Fire in the natural environment has been shown not only to alter the above and below ground carbon stocks, but can also play a role in altering the mineralogy of the geologic material in which it comes in contact. Our work seeks to utilize the nature of these changes in mineralogy on a small scale to seek a relationship between fire intensity and clay mineralogy in the landscape by using locations of past fires and modern analogues. During approximately 1260-1400 AD, the Hopi Indian Tribe had a settlement named Chevelon located near Winslow, Arizona on the high plains of the Sonoran Desert. Due to abundant ash deposits and the highly oxidized nature of some of the walls of this structure, it is thought this location was burned and subsequently abandoned near 1400 AD. To help understand the burning process, archeologists created the Homolovi structure, which is a modern day analogue to the Chevelon structure, which was burned in 2006 by loading with the fuel that would have likely been used by the tribe during that time. Samples were collected from the wall and floor from both structures to help find possible correlations between the structures that could explain the type of fire that occurred at the Chevelon site. Our research is using clay chemistry as a tool to investigate fire intensity in an archeological context. Powder x-ray diffraction and scanning electron microscopy were used to help identify clay mineralogy. Our results suggest that majority of the clay mixture contains quartz, calcite, illite, and an iron oxide. Standards of these minerals were then placed in a muffle furnace for 6 hours at temperatures beginning at 100°C and increasing in increments of 100°C until reaching 600°C to simulate a high fire intensity that would occur from an intentionally set fire. The samples were then studied using a powder x-ray diffractometer and SEM to understand clay chemistry of these minerals at increasing temperatures, and then compared to the samples from the

  9. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    NASA Technical Reports Server (NTRS)

    Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

    1994-01-01

    Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

  10. Nuclear data needed for applications in radiation oncology

    SciTech Connect

    White, R.M.; Chadwick, M.B.; Siantar, C.L.H.; Chandler, W.P.

    1994-03-01

    Fast neutrons have been used to treat over 15,000 cancer patients in approximately twenty centers worldwide and proton therapy is emerging as a potential treatment of choice for tumors near critical anatomical structures. Neutron therapy requires reaction data to {approximately}70 MeV while proton therapy requires data to {approximately}250 MeV. The cross section databases require energy- and angle-dependent cross sections for secondary neutrons, charged-particles and recoil nuclei. We discuss expansion of our nuclear databases and development of a three-dimensional radiation transport package that uses CT images as the input mesh to an all-particle Monte Carlo code. Called PEREGRINE, this code calculates dose distributions in the human body and can be used as a tool to determine the dependence of dose on details of the evaluated nuclear data.

  11. Strontium sulfate as an EPR dosimeter for radiation technology application

    NASA Astrophysics Data System (ADS)

    Rushdi, M. A. H.; Abdel-Fattah, A. A.; Sherif, M. M.; Soliman, Y. S.; Mansour, A.

    2015-01-01

    The dosimetric characteristics of γ-radiation induced defects in strontium sulfate rod dosimeter are investigated using electron paramagnetic resonance (EPR) technique focusing on the low dose range of 1-100 Gy. Significant EPR signals of spectroscopic splitting factor (g) 2.01075, 2.04225, 2.03166, 2.00774 and 1.9219086 are observed in the rod upon γ-irradiation. The intensity of the signals increases linearly with increasing absorbed doses up to 100 Gy. The EPR response of irradiated dosimeter exhibits good stability over three months of storage. In addition, the response during irradiation is independent on both relative humidity (from 0% to 65%) and temperature (from 10 °C to 35 °C). The prepared rods are nearly water equivalent in the range of 0.4-5 MeV and the overall uncertainty (2σ) of dose monitoring is approximately 4.26%.

  12. Image Guidance in Radiation Therapy: Techniques and Applications

    PubMed Central

    Kataria, Tejinder

    2014-01-01

    In modern day radiotherapy, the emphasis on reduction on volume exposed to high radiotherapy doses, improving treatment precision as well as reducing radiation-related normal tissue toxicity has increased, and thus there is greater importance given to accurate position verification and correction before delivering radiotherapy. At present, several techniques that accomplish these goals impeccably have been developed, though all of them have their limitations. There is no single method available that eliminates treatment-related uncertainties without considerably adding to the cost. However, delivering “high precision radiotherapy” without periodic image guidance would do more harm than treating large volumes to compensate for setup errors. In the present review, we discuss the concept of image guidance in radiotherapy, the current techniques available, and their expected benefits and pitfalls. PMID:25587445

  13. Laser-heating-based active optics for synchrotron radiation applications.

    PubMed

    Yang, Fugui; Li, Ming; Gao, Lidan; Sheng, Weifan; Liu, Peng; Zhang, Xiaowei

    2016-06-15

    Active optics has attracted considerable interest from researchers in synchrotron radiation facilities because of its capacity for x-ray wavefront correction. Here, we report a novel and efficient technique for correcting or modulating a mirror surface profile based on laser-heating-induced thermal expansion. An experimental study of the characteristics of the surface thermal deformation response indicates that the power of a milliwatt laser yields a bump height as low as the subnanometer scale and that the variation of the spot size modulates the response function width effectively. In addition, the capacity of the laser-heating technique for free-form surface modulation is demonstrated via a one-dimensional surface correction experiment. The developed method is a promising new approach toward effective x-ray active optics coupled with at-wavelength metrology techniques.

  14. Radiation from plutonium 238 used in space applications

    NASA Technical Reports Server (NTRS)

    Keenan, T. K.; Vallee, R. E.; Powers, J. A.

    1972-01-01

    The principal mode of the nuclear decay of plutonium 238 is by alpha particle emission at a rate of 17 curies per gram. Gamma radiation also present in nuclear fuels arises primarily from the nuclear de-excitation of daughter nuclei as a result of the alpha decay of plutonium 238 and reactor-produced impurities. Plutonium 238 has a spontaneous fission half life of 4.8 x 10 to the 10th power years. Neutrons associated with this spontaneous fission are emitted at a rate of 28,000 neutrons per second per gram. Since the space fuel form of plutonium 238 is the oxide pressed into a cermet with molybdenum, a contribution to the neutron emission rate arises from (alpha, n) reactions with 0-17 and 0-18 which occur in natural oxygen.

  15. Laser-heating-based active optics for synchrotron radiation applications.

    PubMed

    Yang, Fugui; Li, Ming; Gao, Lidan; Sheng, Weifan; Liu, Peng; Zhang, Xiaowei

    2016-06-15

    Active optics has attracted considerable interest from researchers in synchrotron radiation facilities because of its capacity for x-ray wavefront correction. Here, we report a novel and efficient technique for correcting or modulating a mirror surface profile based on laser-heating-induced thermal expansion. An experimental study of the characteristics of the surface thermal deformation response indicates that the power of a milliwatt laser yields a bump height as low as the subnanometer scale and that the variation of the spot size modulates the response function width effectively. In addition, the capacity of the laser-heating technique for free-form surface modulation is demonstrated via a one-dimensional surface correction experiment. The developed method is a promising new approach toward effective x-ray active optics coupled with at-wavelength metrology techniques. PMID:27304296

  16. Er:YAG laser radiation applications in different medical branches

    NASA Astrophysics Data System (ADS)

    Jelínkova, Helena; Němec, Michal; Koranda, Petr; Šulc, Jan; Čech, Miroslav; Miyagi, Mitsunobu; Shi, Yi-Wei; Matsuura, Yuji

    2006-03-01

    For the purpose of biophotonics, free running and Q-switched Er:YAG lasers were constructed. As Q-switches the rotating mirror and Pockels cell were used. In the case of rotating mirror placed inside the resonator the maximum of generated laser energy was 210 mJ in a free-running mode regime when pulses up to 110 μs long (FWHM) were generated. The resulted parameters of the giant pulses were 30 mJ energy, and 250 ns pulse length. For the Pockels cell Q-switching, the laser was generating 325 mJ of energy in a 250 μs pulse, and 60 mJ of energy in a 60 ns pulse in the case of free running and Q-switched regime, respectively. This output properties together with the generating wavelength (2.94 μm), coinciding exactly with the absorption peak of water, giving us the possibility of using this radiation to the efficient interaction with biological tissue. The transport of the radiation to the interaction place was solved by the special cyclic olefin polymer coated silver hollow glass waveguides with the inner diameter of 700 μm and the length of 10 - 50 cm. For the contact treatment the sealed caps were used for preventing delivery system damage. The aim of this work was except of special laser systems development, the investigation ofthe effect differences between long (free running) and short (nanosecond) laser pulses on ophthalmic (cornea, sclera), urologic (ureter wall), or dental (enamel, dentine) tissue.

  17. Radiation passport: an iPhone and iPod touch application to track radiation dose and estimate associated cancer risks.

    PubMed

    Baerlocher, Mark Otto; Talanow, Roland; Baerlocher, Adrian F

    2010-04-01

    The rapid increase in the use of radiology and related exams and procedures has led to a concomitant increase in associated radiation risk. An application for the iPhone and iPod Touch called 'Radiation Passport' is described, which provides radiation dose estimates and associated cancer risks (non fatal and fatal) and serves as a method by which to track an individual's cumulative exposure. PMID:20362943

  18. Carbon nano-onions (multi-layer fullerenes): chemistry and applications

    PubMed Central

    Bartelmess, Juergen

    2014-01-01

    Summary This review focuses on the development of multi-layer fullerenes, known as carbon nano-onions (CNOs). First, it briefly summarizes the most important synthetic pathways for their preparation and their properties and it gives the reader an update over new developments in the recent years. This is followed by a discussion of the published synthetic procedures for CNO functionalization, which are of major importance when elucidating future applications and addressing drawbacks for possible applications, such as poor solubility in common solvents. Finally, it gives an overview over the fields of application, in which CNO materials were successfully implemented. PMID:25383308

  19. Responsive hydrogels produced via organic sol-gel chemistry for cell culture applications.

    PubMed

    Patil, Smruti; Chaudhury, Pulkit; Clarizia, Lisa; McDonald, Melisenda; Reynaud, Emmanuelle; Gaines, Peter; Schmidt, Daniel F

    2012-08-01

    In this study, we report the synthesis of novel environmentally responsive polyurea hydrogel networks prepared via organic sol-gel chemistry and demonstrate that the networks can stabilize pH while releasing glucose both in simple aqueous media and in mammalian cell culture settings. Hydrogel formulations have been developed based on the combination of an aliphatic triisocyanate with pH-insensitive amine functional polyether and pH-sensitive poly(ethyleneimine) segments in a minimally toxic solvent suitable for the sol-gel reaction. The polyether component of the polyurea network is sufficiently hydrophilic to give rise to some level of swelling independent of environmental pH, while the poly(ethyleneimine) component contains tertiary amine groups providing pH sensitivity to the network in the form of enhanced swelling and release under acidic conditions. The reaction of these materials to form a network is rapid and requires no catalyst. The resultant material exhibits the desired pH-responsive swelling behavior and demonstrates its ability to simultaneously neutralize lactic acid and release glucose in both cell-free culture media and mammalian cell culture, with no detectable evidence of cytotoxicity or changes in cell behavior, in the case of either SA-13 human hybridomas or mouse embryonic stem cells. Furthermore, pH is observed to have a clear effect on the rate at which glucose is released from the hydrogel network. Such characteristics promise to maintain a favorable cell culture environment in the absence of human intervention. PMID:22561670

  20. Responsive hydrogels produced via organic sol-gel chemistry for cell culture applications.

    PubMed

    Patil, Smruti; Chaudhury, Pulkit; Clarizia, Lisa; McDonald, Melisenda; Reynaud, Emmanuelle; Gaines, Peter; Schmidt, Daniel F

    2012-08-01

    In this study, we report the synthesis of novel environmentally responsive polyurea hydrogel networks prepared via organic sol-gel chemistry and demonstrate that the networks can stabilize pH while releasing glucose both in simple aqueous media and in mammalian cell culture settings. Hydrogel formulations have been developed based on the combination of an aliphatic triisocyanate with pH-insensitive amine functional polyether and pH-sensitive poly(ethyleneimine) segments in a minimally toxic solvent suitable for the sol-gel reaction. The polyether component of the polyurea network is sufficiently hydrophilic to give rise to some level of swelling independent of environmental pH, while the poly(ethyleneimine) component contains tertiary amine groups providing pH sensitivity to the network in the form of enhanced swelling and release under acidic conditions. The reaction of these materials to form a network is rapid and requires no catalyst. The resultant material exhibits the desired pH-responsive swelling behavior and demonstrates its ability to simultaneously neutralize lactic acid and release glucose in both cell-free culture media and mammalian cell culture, with no detectable evidence of cytotoxicity or changes in cell behavior, in the case of either SA-13 human hybridomas or mouse embryonic stem cells. Furthermore, pH is observed to have a clear effect on the rate at which glucose is released from the hydrogel network. Such characteristics promise to maintain a favorable cell culture environment in the absence of human intervention.

  1. Ab initio quantum chemistry in parallel-portable tools and applications

    SciTech Connect

    Harrison, R.J.; Shepard, R. ); Kendall, R.A. )

    1991-01-01

    In common with many of the computational sciences, ab initio chemistry faces computational constraints to which a partial solution is offered by the prospect of highly parallel computers. Ab initio codes are large and complex (O(10{sup 5}) lines of FORTRAN), representing a significant investment of communal effort. The often conflicting requirements of portability and efficiency have been successfully resolved on vector computers by reliance on matrix oriented kernels. This proves inadequate even upon closely-coupled shared-memory parallel machines. We examine the algorithms employed during a typical sequence of calculations. Then we investigate how efficient portable parallel implementations may be derived, including the complex multi-reference singles and doubles configuration interaction algorithm. A portable toolkit, modeled after the Intel iPSC and the ANL-ACRF PARMACS, is developed, using shared memory and TCP/IP sockets. The toolkit is used as an initial platform for programs portable between LANS, Crays and true distributed-memory MIMD machines. Timings are presented. 53 refs., 4 tabs.

  2. PC-based molecular modeling in the classroom: applications to medicinal chemistry and biochemistry.

    PubMed

    Henkel, J G

    1991-03-01

    Among the most difficult aspects of medicinal chemistry and biochemistry for the student to master are the three-dimensional (3D) nature of drugs and bio-organic substances and the interaction of these substances with 3D targets. Compounding this problem is the fact that such relationships are very difficult to illustrate in a lecture or discussion format. While skeletal molecular models serve a useful role in the learning process, the techniques of PC-based desktop molecular visualization provide a more powerful and effective alternative to the lecture format. These techniques can be implemented on standard MS-DOS PC hardware using one of the commonly available data projection systems. The approach has found considerable use in several areas, including the generation of computer-based lecture aids, the illustration of the molecular shapes of drugs and biochemical structures, the superposition and comparison of drug substances with common pharmacophores, and the illustration of enzyme-substrate interactions. Another related technique, molecular animation, has proven to be quite successful at illustrating the essentials of enzyme mechanisms in the classroom. The "film clips" resulting from this technique may have use beyond the classroom, and further work in this area is underway.

  3. Chemokine receptor CCR5 antagonist maraviroc: medicinal chemistry and clinical applications.

    PubMed

    Xu, Guoyan G; Guo, Jia; Wu, Yuntao

    2014-01-01

    The human immunodeficiency virus (HIV) causes acquired immumodeficiency syndrome (AIDS), one of the worst global pandemic. The virus infects human CD4 T cells and macrophages, and causes CD4 depletion. HIV enters target cells through the binding of the viral envelope glycoprotein to CD4 and the chemokine coreceptor, CXCR4 or CCR5. In particular, the CCR5-utilizing viruses predominate in the blood during the disease course. CCR5 is expressed on the surface of various immune cells including macrophages, monocytes, microglia, dendric cells, and active memory CD4 T cells. In the human population, the CCR5 genomic mutation, CCR5Δ32, is associated with relative resistance to HIV. These findings paved the way for the discovery and development of CCR5 inhibitors to block HIV transmission and replication. Maraviroc, discovered as a CCR5 antagonist, is the only CCR5 inhibitor that has been approved by both US FDA and the European Medicines Agency (EMA) for treating HIV/AIDS patients. In this review, we summarize the medicinal chemistry and clinical studies of Maraviroc.

  4. Preparation and application of a novel electrochemical sensing material based on surface chemistry of polyhydroquinone.

    PubMed

    Dang, Xueping; Wang, Yingkai; Hu, Chengguo; Huang, Jianlin; Chen, Huaixia; Wang, Shengfu; Hu, Shengshui

    2014-07-01

    A new analogue of polydopamine (PDA), i.e., polyhydroquinone (PH2Q), was polymerized and its surface chemistry was studied by different ways of characterization. PH2Q was produced by the self-polymerization of H2Q mediated by dissolved oxygen, and the self-polymerization process was strongly dependent on the type and the pH value of the buffer solutions. PH2Q can not only achieve surface hydrophilization of different substrates like polyethylene terephthalate (PET) film, graphite strip, C12SH/Au and wax slice, but also possess several unique properties like reversible adsorption, good solubility and low cost. These properties made PH2Q an ideal polymeric modifier for the noncovalent functionalization of some nanomaterials. By simply grinding with PH2Q, pristine multi-walled carbon nanotubes (MWNTs) can be readily dispersed in water with high solubility and good stability. The resulting MWNT-PH2Q composite exhibited excellent electrochemical performance, which was employed for the simultaneous determination of dopamine (DA) and uric acid (UA).

  5. Optimized low-level liquid scintillation spectroscopy of 35S for atmospheric and biogeochemical chemistry applications

    PubMed Central

    Brothers, Lauren A.; Dominguez, Gerardo; Abramian, Anna; Corbin, Antoinette; Bluen, Ben; Thiemens, Mark H.

    2010-01-01

    Anthropogenic activities, dominated by emissions of sulfur dioxide (SO2), have perturbed the global sulfur (S) cycle. Uncertainties in timescales of S transport and chemistry in the atmosphere lead to uncertainties in the predicted impact of S emissions. Measurements of cosmogenic 35S may potentially be used to resolve existing uncertainties in the photochemical and chemical transformation of S in the environment. The lack of a simple, effective, and highly sensitive technique to measure 35S activity in samples with low activities may explain the scarcity of published measurements. We present a set of new sample handling and measurement procedures optimized for the measurement of 35S in natural samples with activities as low as 0.20 dpm above background (2σ, integration time = 2 hr). We also report simultaneous measurements of aerosol () and gas phase () collected at inland and coastal locations; the range of observed activities corresponds to SO2 residence lifetimes of 0.2 ± 0.04 (coastal) - 22.3 d ± 0.04 (inland). These optimized techniques offer the potential for resolving atmospheric processes that occur on 6–12-hour timescales as well as resolving transport phenomena such as stratospheric mixing into the troposphere. PMID:20212141

  6. Quantitative Clinical Chemistry Proteomics (qCCP) using mass spectrometry: general characteristics and application.

    PubMed

    Lehmann, Sylvain; Hoofnagle, Andrew; Hochstrasser, Denis; Brede, Cato; Glueckmann, Matthias; Cocho, José A; Ceglarek, Uta; Lenz, Christof; Vialaret, Jérôme; Scherl, Alexander; Hirtz, Christophe

    2013-05-01

    Proteomics studies typically aim to exhaustively detect peptides/proteins in a given biological sample. Over the past decade, the number of publications using proteomics methodologies has exploded. This was made possible due to the availability of high-quality genomic data and many technological advances in the fields of microfluidics and mass spectrometry. Proteomics in biomedical research was initially used in 'functional' studies for the identification of proteins involved in pathophysiological processes, complexes and networks. Improved sensitivity of instrumentation facilitated the analysis of even more complex sample types, including human biological fluids. It is at that point the field of clinical proteomics was born, and its fundamental aim was the discovery and (ideally) validation of biomarkers for the diagnosis, prognosis, or therapeutic monitoring of disease. Eventually, it was recognized that the technologies used in clinical proteomics studies [particularly liquid chromatography-tandem mass spectrometry (LC-MS/MS)] could represent an alternative to classical immunochemical assays. Prior to deploying MS in the measurement of peptides/proteins in the clinical laboratory, it seems likely that traditional proteomics workflows and data management systems will need to adapt to the clinical environment and meet in vitro diagnostic (IVD) regulatory constraints. This defines a new field, as reviewed in this article, that we have termed quantitative Clinical Chemistry Proteomics (qCCP).

  7. Chemokine Receptor CCR5 Antagonist Maraviroc: Medicinal Chemistry and Clinical Applications

    PubMed Central

    Xu, Guoyan G.; Guo, Jia; Wu, Yuntao

    2015-01-01

    The human immunodeficiency virus (HIV) causes acquired immumodeficiency syndrome (AIDS), one of the worst global pandemic. The virus infects human CD4 T cells and macrophages, and causes CD4 depletion. HIV enters target cells through the binding of the viral envelope glycoprotein to CD4 and the chemokine coreceptor, CXCR4 or CCR5. In particular, the CCR5-utilizing viruses predominate in the blood during the disease course. CCR5 is expressed on the surface of various immune cells including macrophages, monocytes, microglia, dendric cells, and active memory CD4 T cells. In the human population, the CCR5 genomic mutation, CCR5Δ32, is associated with relative resistance to HIV. These findings paved the way for the discovery and development of CCR5 inhibitors to block HIV transmission and replication. Maraviroc, discovered as a CCR5 antagonist, is the only CCR5 inhibitor that has been approved by both US FDA and the European Medicines Agency (EMA) for treating HIV/AIDS patients. In this review, we summarize the medicinal chemistry and clinical studies of Maraviroc. PMID:25159165

  8. Development and Application of a Database of Deep Groundwater Chemistry using Geographical Information System (GIS)

    NASA Astrophysics Data System (ADS)

    Oyama, Y.; Tsukamoto, H.; Kazahaya, K.; Morikawa, N.; Takahashi, M.; Takahashi, H.; Yasuhara, M.; Ohwada, M.; Shibahara, A.; Inamura, A.; Handa, H.; Nakama, J.

    2008-12-01

    From the viewpoint of geological disposal of high-level radioactive waste, it is necessary to understand a wide range of geological environments such as physical and chemical characteristics of rock formation and groundwater therein. We have collected more than 1000 of groundwater samples in all over Japan, and developed a database of deep groundwater chemistry. The database contains information on geographical location, sampling depth, pH, Eh, water temperature, conductivity, concentrations of major anion and cation, and stable isotope ratios (e.g. 2H, 13C, 18O). To evaluate geochemical characteristics of groundwater in Japan, the data were plotted onto a geological information system (GIS), and classified into major rock-type categories (i.e. sedimentary rock, accretionary complex, volcanic rock, plutonic rock, and metamorphic rock) according to a digital geological map. The sedimentary rock and accretionary complex were further divided into their ages (e.g. quaternary and neogene), whereas the volcanic rock and plutonic rock were divided into detailed rock types (e.g. silicic and mafic). We report the preliminary results of the hydrochemical feature of groundwater in various rock types using piper diagrams, and discuss its usefulness. This research project has been conducted under the research contract with the Nuclear and Industrial Safety Agency (NISA).

  9. Development and Application of a Two-Tier Multiple Choice Diagnostic Instrument To Assess High School Students' Understanding of Inorganic Chemistry Qualitative Analysis.

    ERIC Educational Resources Information Center

    Tan, Kim Chwee Daniel; Goh, Ngoh Khang; Chia, Lian Sai; Treagust, David F.

    2002-01-01

    Describes the development and application of a two-tier multiple choice diagnostic instrument to assess high school students' understanding of inorganic chemistry qualitative analysis. Shows that the Grade 10 students had difficulty understanding the reactions involved in the identification of cations and anions, for example, double decomposition…

  10. ULTROX INTERNATIONAL ULTRAVIOLET RADIATION/OXIDATION TECHNOLOGY APPLICATIONS ANALYSIS REPORT

    EPA Science Inventory

    In support of the U.S. Environmental Protection Agency’s (EPA) Superfund Innovative Technology Evaluation (SITE) Program, this report evaluates the Ultrox International technology and its applicability as an on-site treatment method for contaminated groundwater. The ULTROX® techn...

  11. Applications of atomic and molecular data to radiation physics

    SciTech Connect

    Inokuti, M.

    1982-01-01

    The general purpose of our work is to provide atomic and molecular collision cross sections useful for radiological physics, dosimetry, and other applications. Studies on the systematics of atomic oscillator-strength spectra and a survey of stopping power data are briefly described. (WHK)

  12. Some current advances in biophysical applications of ionizing radiation for health preservation

    NASA Astrophysics Data System (ADS)

    Watt, D. E.

    1987-03-01

    Radiation Physics is a subject of major importance in application to health preservation through investigative, diagnostic, analytical and therapeutic procedures for clinical purposes. Its benefits are enormous and well-established. However there are also hazards and so it is important for health preservation purposes to establish quantitatively the degree of risk undergone by persons exposed to radiation in the natural environment, in their occupations and in medical treatment. In this paper a brief indication is given of the extensive utilisation of the unique properties of radiation in biomedical application. This is followed by fuller discussion on new developments in our understanding of radiation damage mechanisms in radiotherapy and radiological protection. An example is given in biomedical research into the role of trace elements in gallstone formation using neutron activation anaysis, proton induced X-ray emission and X-ray fluorescence analysis as complementary techniques for maximising sensitivity in multielemental analysis by induced radiation. Procedures are described for measuring radiation effect, at bone/ tissue and lung/air interfaces, due to the uptake of radioactive material from the natural environment. Finally a topical subject in nuclear medicine viz. the possible advantages and hazards of Auger electron cascades resulting from inner shell vacancies in electron capture nuclides, is examined in the light of new evidence.

  13. Electrospray Charging of Minerals: Surface Chemistry and Applications to High-Velocity Microparticle Impacts

    NASA Astrophysics Data System (ADS)

    Daly, T.; Call, S.; Austin, D. E.

    2010-12-01

    Electrospray is a soft ionization technique commonly used to charge large biomolecules; it has, however, also been applied to inorganic compounds. We are extending this technique to mineral microparticles. Electrospray-charged mineral microparticles are interesting in the context of surface science because surface chemistry dictates where and how charge carriers can bond to mineral surfaces. In addition, using electrospray to charge mineral particles allows these particles to be electrostatically accelerated as projectiles in high- and hyper-velocity impacts. Since current techniques for producing high- and hyper-velocity microparticle impacts are largely limited to metal or metal-coated projectiles, using minerals as projectiles is a significant innovation. Electrospray involves three steps: creation of charged droplets containing solute/particles, evaporation and bifurcation of droplets, and desolvation of the solute/particles. An acidified solution is slowly pumped through a needle in a strong DC field, which causes the solution to break into tiny, charged droplets laden with protons. Solvent evaporates from the electrosprayed droplets as they move through the electric field toward a grounded plate, causing the charge on the droplet to increase relative to its mass. When the electrosprayed droplet’s charge becomes such that the droplet is no longer stable, it bifurcates, and each of the resulting droplets carries some of the original droplet’s charge. Evaporation and bifurcation continues until the solute particle is completely desolvated. The result is a protonated solute molecule or particle. We built an instrument that electrosprays particles into vacuum and measures them using an image charge detector. Mineral microparticles were prepared by grinding natural mineral samples to ~2 µm diameter. These microparticles are then added to a 4:1 methanol:water solution to create a 0.005% w/v suspension. The suspension is electrosprayed into vacuum, where the

  14. Application, chemistry, and environmental implications of contaminant-immobilization amendments on agricultural soil and water quality.

    PubMed

    Udeigwe, Theophilus K; Eze, Peter N; Teboh, Jasper M; Stietiya, Mohammed H

    2011-01-01

    Contaminants such as nitrogen (N), phosphorus (P), dissolved organic carbon (DOC), arsenic (As), heavy metals, and infectious pathogens are often associated with agricultural systems. Various soil and water remediation techniques including the use of chemical amendments have been employed to reduce the risks associated with these contaminants. This paper reviews the use of chemical amendments for immobilizing principal agricultural contaminants, the chemistry of contaminant immobilization, and the environmental consequences associated with the use of these chemical products. The commonly used chemical amendments were grouped into aluminum-, calcium-, and iron-containing products. Other products of interest include phosphorus-containing compounds and silicate clays. Mechanisms of contaminant immobilization could include one or a combination of the following: surface precipitation, adsorption to mineral surfaces (ion exchange and formation of stable complexes), precipitation as salts, and co-precipitation. The reaction pH, redox potential, clay minerals, and organic matter are potential factors that could control contaminant-immobilization processes. Reviews of potential environmental implications revealed that undesirable substances such as trace elements, fluoride, sulfate, total dissolved solids, as well as radioactive materials associated with some industrial wastes used as amendment could be leached to ground water or lost through runoff to receiving water bodies. The acidity or alkalinity associated with some of the industrial-waste amendments could also constitute a substantial environmental hazard. Chemical amendments could introduce elements capable of inducing or affecting the activities of certain lithotrophic microbes that could influence vital geochemical processes such as mineral dissolution and formation, weathering, and organic matter mineralization.

  15. Infrared Ion Spectroscopy at Felix: Applications in Peptide Dissociation and Analytical Chemistry

    NASA Astrophysics Data System (ADS)

    Oomens, Jos

    2016-06-01

    Infrared free electron lasers such as those in Paris, Berlin and Nijmegen have been at the forefront of the development of infrared ion spectroscopy. In this contribution, I will give an overview of new developments in IR spectroscopy of stored ions at the FELIX Laboratory. In particular, I will focus on recent developments made possible by the coupling of a new commercial ion trap mass spectrometer to the FELIX beamline. The possibility to record IR spectra of mass-selected molecular ions and their reaction products has in recent years shed new light on our understanding of collision induced dissociation (CID) reactions of protonated peptides in mass spectrometry (MS). We now show that it is possible to record IR spectra for the products of electron transfer dissociation (ETD) reactions [M + nH]n+ + A- → [M + nH](n-1)+ + A → {dissociation of analyte} These reactions are now widely used in novel MS-based protein sequencing strategies, but involve complex radical chemistry. The spectroscopic results allow stringent verification of computationally predicted product structures and hence reaction mechanisms and H-atom migration. The sensitivity and high dynamic range of a commercial mass spectrometer also allows us to apply infrared ion spectroscopy to analytes in complex "real-life" mixtures. The ability to record IR spectra with the sensitivity of mass-spectrometric detection is unrivalled in analytical sciences and is particularly useful in the identification of small (biological) molecules, such as in metabolomics. We report preliminary results of a pilot study on the spectroscopic identification of small metabolites in urine and plasma samples.

  16. Carbon chemistry: The high temperature syntheses and applications of nanotubes andsp-hybridized compounds

    NASA Astrophysics Data System (ADS)

    Mitchell, Daniel Robert

    A brief introduction to carbon chemistry is given with an emphasis on the use high-temperature reactions that use carbon vapor, generated from graphite, to synthesize nano-structured materials. Laser and electric are ablation of graphite was utilized to create a variety of high carbon content materials ranging from discrete acetylenic molecules to extremely large multi-wall nanotubes. A new synthesis for large carbon nanotubes, containing 1--5 atom percent nitrogen bound into the graphite lattice, was realized by the reaction of carbon vapor, nickel/yttrium catalyst and cyanogen gas. These carbon "megatubes" were then employed as a substrate to tether a wide variety of molecules both inorganic and organic. The megatubes, in their native and derivatized states, were then assembled into simple circuits to explore their electronic transport properties. Direct fluorination was used to post-treat the surface of the multi-wall carbon nanotubes in order to alter the inherent physical and chemical properties of the tubes, as well as to serve as another route to functionalize their surfaces. Fluorine sites on the walls of the tube were allowed to react with Grignard reagents to produce nantoubes with the chosen alkyl chemically bonded to the surface. Products were characterized with techniques similar to unfluorinated tubules. Using similar carbon vaporization techniques, sp-hybridized carbon chain compounds were synthesized. Using a one-step method dicyanopolyynes were synthesized and characterized with nuclear magnetic resonance and mass spectroscopy, containing up to 8 acetylenic repeat units. A two-step method was also utilized to create polyynes terminated with trifluoromethyl or nitrile radicals generated in a capacitively coupled radio frequency glow plasma discharge. A partial characterization of these products was accomplished with nuclear magnetic resonance, mass, and infrared spectroscopy techniques.

  17. Monte Carlo track structure for radiation biology and space applications

    NASA Technical Reports Server (NTRS)

    Nikjoo, H.; Uehara, S.; Khvostunov, I. G.; Cucinotta, F. A.; Wilson, W. E.; Goodhead, D. T.

    2001-01-01

    Over the past two decades event by event Monte Carlo track structure codes have increasingly been used for biophysical modelling and radiotherapy. Advent of these codes has helped to shed light on many aspects of microdosimetry and mechanism of damage by ionising radiation in the cell. These codes have continuously been modified to include new improved cross sections and computational techniques. This paper provides a summary of input data for ionizations, excitations and elastic scattering cross sections for event by event Monte Carlo track structure simulations for electrons and ions in the form of parametric equations, which makes it easy to reproduce the data. Stopping power and radial distribution of dose are presented for ions and compared with experimental data. A model is described for simulation of full slowing down of proton tracks in water in the range 1 keV to 1 MeV. Modelling and calculations are presented for the response of a TEPC proportional counter irradiated with 5 MeV alpha-particles. Distributions are presented for the wall and wall-less counters. Data shows contribution of indirect effects to the lineal energy distribution for the wall counters responses even at such a low ion energy.

  18. APPLICATION OF JITTER RADIATION: GAMMA-RAY BURST PROMPT POLARIZATION

    SciTech Connect

    Mao, Jirong; Wang, Jiancheng

    2013-10-10

    A high degree of polarization of gamma-ray burst (GRB) prompt emission has been confirmed in recent years. In this paper, we apply jitter radiation to study the polarization feature of GRB prompt emission. In our framework, relativistic electrons are accelerated by turbulent acceleration. Random and small-scale magnetic fields are generated by turbulence. We further determine that the polarization property of GRB prompt emission is governed by the configuration of the random and small-scale magnetic fields. A two-dimensional compressed slab, which contains a stochastic magnetic field, is applied in our model. If the jitter condition is satisfied, the electron deflection angle in the magnetic field is very small and the electron trajectory can be treated as a straight line. A high degree of polarization can be achieved when the angle between the line of sight and the slab plane is small. Moreover, micro-emitters with mini-jet structures are considered to be within a bulk GRB jet. The jet 'off-axis' effect is intensely sensitive to the observed polarization degree. We discuss the depolarization effect on GRB prompt emission and afterglow. We also speculate that the rapid variability of GRB prompt polarization may be correlated with the stochastic variability of the turbulent dynamo or the magnetic reconnection of plasmas.

  19. An inverse source location algorithm for radiation portal monitor applications

    SciTech Connect

    Miller, Karen A; Charlton, William S

    2010-01-01

    Radiation portal monitors are being deployed at border crossings throughout the world to prevent the smuggling of nuclear and radiological materials; however, a tension exists between security and the free-flow of commerce. Delays at ports-of-entry have major economic implications, so it is imperative to minimize portal monitor screening time. We have developed an algorithm to locate a radioactive source using a distributed array of detectors, specifically for use at border crossings. To locate the source, we formulated an optimization problem where the objective function describes the least-squares difference between the actual and predicted detector measurements. The predicted measurements are calculated by solving the 3-D deterministic neutron transport equation given an estimated source position. The source position is updated using the steepest descent method, where the gradient of the objective function with respect to the source position is calculated using adjoint transport calculations. If the objective function is smaller than the convergence criterion, then the source position has been identified. This paper presents the derivation of the underlying equations in the algorithm as well as several computational test cases used to characterize its accuracy.

  20. Chemistry in the Troposphere.

    ERIC Educational Resources Information Center

    Chameides, William L.; Davis, Douglas D.

    1982-01-01

    Topics addressed in this review of chemistry in the troposphere (layer of atmosphere extending from earth's surface to altitude of 10-16km) include: solar radiation/winds; earth/atmosphere interface; kinetic studies of atmospheric reactions; tropospheric free-radical photochemistry; instruments for nitric oxide detection; sampling…

  1. Application of GEANT4 in the Development of New Radiation Therapy Treatment Methods

    NASA Astrophysics Data System (ADS)

    Brahme, Anders; Gudowska, Irena; Larsson, Susanne; Andreassen, Björn; Holmberg, Rickard; Svensson, Roger; Ivanchenko, Vladimir; Bagulya, Alexander; Grichine, Vladimir; Starkov, Nikolay

    2006-04-01

    There is a very fast development of new radiation treatment methods today, from advanced use of intensity modulated photon and electron beams to light ion therapy with narrow scanned beam based treatment units. Accurate radiation transport calculations are a key requisite for these developments where Geant4 is a very useful Monte Carlo code for accurate design of new treatment units. Today we cannot only image the tumor by PET-CT imaging before the treatment but also determine the tumor sensitivity to radiation and even measure in vivo the delivered absorbed dose in three dimensions in the patient. With such methods accurate Monte Carlo calculations will make radiation therapy an almost exact science where the curative doses can be calculated based on patient individual response data. In the present study results from the application of Geant4 are discussed and the comparisons between Geant4 and experimental and other Monte Carlo data are presented.

  2. Overview of the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Forcing on the Mediterranean Climate (ChArMEx/ADRIMED) summer 2013 campaign

    NASA Astrophysics Data System (ADS)

    Mallet, M.; Dulac, F.; Formenti, P.; Nabat, P.; Sciare, J.; Roberts, G.; Pelon, J.; Ancellet, G.; Tanré, D.; Parol, F.; di Sarra, A.; Alados, L.; Arndt, J.; Auriol, F.; Blarel, L.; Bourrianne, T.; Brogniez, G.; Chazette, P.; Chevaillier, S.; Claeys, M.; D'Anna, B.; Denjean, C.; Derimian, Y.; Desboeufs, K.; Di Iorio, T.; Doussin, J.-F.; Durand, P.; Féron, A.; Freney, E.; Gaimoz, C.; Goloub, P.; Gómez-Amo, J. L.; Granados-Muñoz, M. J.; Grand, N.; Hamonou, E.; Jankowiak, I.; Jeannot, M.; Léon, J.-F.; Maillé, M.; Mailler, S.; Meloni, D.; Menut, L.; Momboisse, G.; Nicolas, J.; Podvin, J.; Pont, V.; Rea, G.; Renard, J.-B.; Roblou, L.; Schepanski, K.; Schwarzenboeck, A.; Sellegri, K.; Sicard, M.; Solmon, F.; Somot, S.; Torres, B.; Totems, J.; Triquet, S.; Verdier, N.; Verwaerde, C.; Wenger, J.; Zapf, P.

    2015-07-01

    The Chemistry-Aerosol Mediterranean Experiment (ChArMEx; http://charmex.lsce.ipsl.fr) is a collaborative research program federating international activities to investigate Mediterranean regional chemistry-climate interactions. A special observing period (SOP-1a) including intensive airborne measurements was performed in the framework of the Aerosol Direct Radiative Forcing on the Mediterranean Climate (ADRIMED) project during the Mediterranean dry season over the western and central Mediterranean basins, with a focus on aerosol-radiation measurements and their modeling. The SOP-1a took place from 11 June to 5 July 2013. Airborne measurements were made by both the ATR-42 and F-20 French research aircraft operated from Sardinia (Italy) and instrumented for in situ and remote-sensing measurements, respectively, and by sounding and drifting balloons, launched in Minorca. The experimental set-up also involved several ground-based measurement sites on islands including two ground-based reference stations in Corsica and Lampedusa and secondary monitoring sites in Minorca and Sicily. Additional measurements including lidar profiling were also performed on alert during aircraft operations at EARLINET/ACTRIS stations at Granada and Barcelona in Spain, and in southern Italy. Remote sensing aerosol products from satellites (MSG/SEVIRI, MODIS) and from the AERONET/PHOTONS network were also used. Dedicated meso-scale and regional modelling experiments were performed in relation to this observational effort. We provide here an overview of the different surface and aircraft observations deployed during the ChArMEx/ADRIMED period and of associated modeling studies together with an analysis of the synoptic conditions that determined the aerosol emission and transport. Meteorological conditions observed during this campaign (moderate temperatures and southern flows) were not favorable to produce high level of atmospheric pollutants nor

  3. A new hybrid transfinite element computational methodology for applicability to conduction/convection/radiation heat transfer

    NASA Technical Reports Server (NTRS)

    Tamma, Kumar K.; Railkar, Sudhir B.

    1988-01-01

    This paper describes new and recent advances in the development of a hybrid transfinite element computational methodology for applicability to conduction/convection/radiation heat transfer problems. The transfinite element methodology, while retaining the modeling versatility of contemporary finite element formulations, is based on application of transform techniques in conjunction with classical Galerkin schemes and is a hybrid approach. The purpose of this paper is to provide a viable hybrid computational methodology for applicability to general transient thermal analysis. Highlights and features of the methodology are described and developed via generalized formulations and applications to several test problems. The proposed transfinite element methodology successfully provides a viable computational approach and numerical test problems validate the proposed developments for conduction/convection/radiation thermal analysis.

  4. Fascinating frontiers of N/O-functionalized N-heterocyclic carbene chemistry: from chemical catalysis to biomedical applications.

    PubMed

    John, Alex; Ghosh, Prasenjit

    2010-08-21

    The in vogue N-heterocyclic carbenes (NHCs) have attracted attention largely for its new found popularity in chemical catalysis and also for displaying promising traits in biomedical applications. The current perspective provides an account of our efforts in exploring the utility of N/O-functionalized N-heterocyclic carbenes in these two areas. On the catalysis front, we have employed the N/O-functionalized N-heterocyclic carbene based precatalysts for the C-C and C-N bond forming reactions like the Suzuki-Miyaura, Sonogashira and Hiyama cross-couplings, the base-free Michael addition, the alkene and alkyne hydroamination reactions and the ring-opening polymerization (ROP) of L-lactides that produce biodegradable polylactide polymers while on the biomedical application front, the anticancer and antimicrobial properties of these N/O-functionalized N-heterocyclic carbene complexes were evaluated. Towards this objective, the N-heterocyclic carbene chemistry of a variety of transition metals like Ag, Au, Ni and Pd has been investigated. PMID:20495733

  5. Fascinating frontiers of N/O-functionalized N-heterocyclic carbene chemistry: from chemical catalysis to biomedical applications.

    PubMed

    John, Alex; Ghosh, Prasenjit

    2010-08-21

    The in vogue N-heterocyclic carbenes (NHCs) have attracted attention largely for its new found popularity in chemical catalysis and also for displaying promising traits in biomedical applications. The current perspective provides an account of our efforts in exploring the utility of N/O-functionalized N-heterocyclic carbenes in these two areas. On the catalysis front, we have employed the N/O-functionalized N-heterocyclic carbene based precatalysts for the C-C and C-N bond forming reactions like the Suzuki-Miyaura, Sonogashira and Hiyama cross-couplings, the base-free Michael addition, the alkene and alkyne hydroamination reactions and the ring-opening polymerization (ROP) of L-lactides that produce biodegradable polylactide polymers while on the biomedical application front, the anticancer and antimicrobial properties of these N/O-functionalized N-heterocyclic carbene complexes were evaluated. Towards this objective, the N-heterocyclic carbene chemistry of a variety of transition metals like Ag, Au, Ni and Pd has been investigated.

  6. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

  7. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Thirteen ideas are presented that may be of use to chemistry teachers. Topics covered include vitamin C, industrial chemistry, electrical conductivity, electrolysis, alkali metals, vibration modes infra-red, dynamic equilibrium, and some new demonstrations in gaseous combinations. (PS)

  8. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes experiments, demonstrations, activities and ideas relating to various fields of chemistry to be used in chemistry courses of secondary schools. Three experiments concerning differential thermal analysis are among these notes presented. (HM)

  9. Solar radiation measurements and their applications in climate research

    NASA Astrophysics Data System (ADS)

    Yin, Bangsheng

    Aerosols and clouds play important roles in the climate system through their radiative effects and their vital link in the hydrological cycle. Accurate measurements of aerosol and cloud optical and microphysical properties are crucial for the study of climate and climate change. This study develops/improves retrieval algorithms for aerosol single scattering albedo (SSA) and low liquid water path (LWP) cloud optical properties, evaluates a new spectrometer, and applies long-term measurements to establish climatology of aerosol and cloud optical properties. The following results were obtained. (1) The ratio of diffuse horizontal and direct normal fluxes measured from Multifilter Rotating Shadowband Radiometer (MFRSR) has been used to derive the aerosol SSA. Various issues have impacts on the accuracy of SSA retrieval, from measurements (e.g., calibration accuracy, cosine respond correction, and forward scattering correction) to input parameters and assumptions (e.g., asymmetry factor, Rayleigh scattering optical depth, and surface albedo). This study carefully analyzed these issues and extensively assessed their impacts on the retrieval accuracy. Furthermore, the retrievals of aerosol SSA from MFRSR are compared with independent measurements from co-located instruments. (2) The Thin-Cloud Rotating Shadowband Radiometer (TCRSR) has been used to derive simultaneously the cloud optical depth (COD) and cloud drop effective radius (DER), subsequently inferring the cloud liquid-water path (LWP). The evaluation of the TCRSR indicates that the error of radiometric calibration has limited impact on the cloud DER retrievals. However, the retrieval accuracy of cloud DER is sensitive to the uncertainties of background setting (e.g., aerosol loading and the existence of ice cloud) and the measured solar aureole shape. (3) A new high resolution oxygen A-band spectrometer (HABS) has been developed, which has the ability to measure both direct-beam and zenith diffuse solar radiation

  10. Final report on LDRD project 52722 : radiation hardened optoelectronic components for space-based applications.

    SciTech Connect

    Hargett, Terry W.; Serkland, Darwin Keith; Blansett, Ethan L.; Geib, Kent Martin; Sullivan, Charles Thomas; Hawkins, Samuel D.; Wrobel, Theodore Frank; Keeler, Gordon Arthur; Klem, John Frederick; Medrano, Melissa R.; Peake, Gregory Merwin; Karpen, Gary D.; Montano, Victoria A.

    2003-12-01

    This report describes the research accomplishments achieved under the LDRD Project 'Radiation Hardened Optoelectronic Components for Space-Based Applications.' The aim of this LDRD has been to investigate the radiation hardness of vertical-cavity surface-emitting lasers (VCSELs) and photodiodes by looking at both the effects of total dose and of single-event upsets on the electrical and optical characteristics of VCSELs and photodiodes. These investigations were intended to provide guidance for the eventual integration of radiation hardened VCSELs and photodiodes with rad-hard driver and receiver electronics from an external vendor for space applications. During this one-year project, we have fabricated GaAs-based VCSELs and photodiodes, investigated ionization-induced transient effects due to high-energy protons, and measured the degradation of performance from both high-energy protons and neutrons.

  11. Computer Series, 82. The Application of Expert Systems in the General Chemistry Laboratory.

    ERIC Educational Resources Information Center

    Settle, Frank A., Jr.

    1987-01-01

    Describes the construction of expert computer systems using artificial intelligence technology and commercially available software, known as an expert system shell. Provides two applications; a simple one, the identification of seven white substances, and a more complicated one involving the qualitative analysis of six metal ions. (TW)

  12. Soil Chemistry Still Affected 23 Years After Large Application of Fluidized Bed Material

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study was conducted to assess the movement of arsenic, aluminum, calcium, copper, iron, lead, magnesium, manganese, mercury and zinc in an old apple (Malus domestica Borkh) orchard that received a one time application of 36 kg/ m2 of fluidized bed combustion material (FBCM) 23 years earlier. S...

  13. Practical Applications as a Source of Credibility: A Comparison of Three Fields of Dutch Academic Chemistry

    ERIC Educational Resources Information Center

    Hessels, Laurens K.; van Lente, Harro

    2011-01-01

    In many Western science systems, funding structures increasingly stimulate academic research to contribute to practical applications, but at the same time the rise of bibliometric performance assessments have strengthened the pressure on academics to conduct excellent basic research that can be published in scholarly literature. We analyze the…

  14. New developments in the application of synchrotron radiation to material science.

    SciTech Connect

    Sinha, S. K.

    1999-04-21

    Recent developments in the application of synchrotrons radiation to materials science are discussed, using techniques which exploit the high brilliance of the newer synchrotrons sources, such as microbeam techniques and correlation spectroscopy. These include studies of environmental systems, residual stress, slow dynamics of condensed matter systems and studies of liquid surfaces and thin magnetic films.

  15. Applications of Light Amplification by Stimulated Emission of Radiation (Lasers) for Restorative Dentistry.

    PubMed

    Najeeb, Shariq; Khurshid, Zohaib; Zafar, Muhammad Sohail; Ajlal, Syed

    2016-01-01

    Light amplification by stimulated emission of radiation (laser) has been used widely in a range of biomedical and dental applications in recent years. In the field of restorative dentistry, various kinds of lasers have been developed for diagnostic (e.g. caries detection) and operative applications (e.g. tooth ablation, cavity preparation, restorations, bleaching). The main benefits for laser applications are patient comfort, pain relief and better results for specific applications. Major concerns for using dental lasers frequently are high cost, need for specialized training and sensitivity of the technique, thereby compromising its usefulness particularly in developing countries. The main aim of this paper is to evaluate and summarize the applications of lasers in restorative dentistry, including a comparison of the applications of lasers for major restorative dental procedures and conventional clinical approaches. A remarkable increase in the use of lasers for dental application is expected in the near future. PMID:26642047

  16. Radiation synthesis of superabsorbent CMC based hydrogels for agriculture applications

    NASA Astrophysics Data System (ADS)

    Raafat, Amany I.; Eid, Mona; El-Arnaouty, Magda B.

    2012-07-01

    A series of superabsorbent hydrogel based on carboxymethylcellulose (CMC) and polyvinylpyrrolidone (PVP) crosslinked with gamma irradiation have been proposed for agriculture application. The effect of preparation conditions such as feed solution composition and absorbed irradiation dose on the gelation and swelling degree was evaluated. The structure and the morphology of the superabsorbent CMC/PVP hydrogel were characterized using Fourier transform infrared spectroscopy technique (FTIR), and scanning electron microscope (SEM). Effect of ionic strength and cationic and anionic kinds on the swelling behavior of the obtained hydrogel was investigated. Urea as an agrochemical model was loaded onto the obtained hydrogel to provide nitrogen (N) nutrients. The water retention capability and the urea release behavior of the CMC/PVP hydrogels were investigated. It was found that, the obtained CMC/PVP hydrogels have good swelling degree that greatly affected by its composition and absorbed dose. The swelling was also extremely sensitive to the ionic strength and cationic kind. Owing to its considerable slow urea release, good water retention capacity, being economical, and environment-friendly, it might be useful for its application in agriculture field.

  17. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and experiments for chemistry. Topics include superheavy elements, polarizing power and chemistry of alkali metals, particulate carbon from combustion, tips for the chemistry laboratory, interesting/colorful experiments, behavior of bismuth (III) iodine, and…

  18. The Chemistry of the Thermal DeNOx Process: A Review of the Technology's Possible Application to control of NOx from Diesel Engines

    SciTech Connect

    Lyon, Richard

    2001-08-05

    This paper presents a review of the Thermal DeNOx process with respect to its application to control of NOx emissions from diesel engines. The chemistry of the process is discussed first in empirical and then theoretical terms. Based on this discussion the possibilities of applying the process to controlling NOx emissions from diesel engines is considered. Two options are examined, modifying the requirements of the chemistry of the Thermal DeNOx process to suit the conditions provided by diesel engines and modifying the engines to provide the conditions required by the process chemistry. While the former examination did not reveal any promising opportunities, the latter did. Turbocharged diesel engine systems in which the turbocharger is a net producer of power seem capable of providing the conditions necessary for NOx reduction via the Thermal DeNOx reaction.

  19. Overview of the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Forcing on the Mediterranean Climate (ChArMEx/ADRIMED) summer 2013 campaign

    NASA Astrophysics Data System (ADS)

    Mallet, M.; Dulac, F.; Formenti, P.; Nabat, P.; Sciare, J.; Roberts, G.; Pelon, J.; Ancellet, G.; Tanré, D.; Parol, F.; Denjean, C.; Brogniez, G.; di Sarra, A.; Alados-Arboledas, L.; Arndt, J.; Auriol, F.; Blarel, L.; Bourrianne, T.; Chazette, P.; Chevaillier, S.; Claeys, M.; D'Anna, B.; Derimian, Y.; Desboeufs, K.; Di Iorio, T.; Doussin, J.-F.; Durand, P.; Féron, A.; Freney, E.; Gaimoz, C.; Goloub, P.; Gómez-Amo, J. L.; Granados-Muñoz, M. J.; Grand, N.; Hamonou, E.; Jankowiak, I.; Jeannot, M.; Léon, J.-F.; Maillé, M.; Mailler, S.; Meloni, D.; Menut, L.; Momboisse, G.; Nicolas, J.; Podvin, T.; Pont, V.; Rea, G.; Renard, J.-B.; Roblou, L.; Schepanski, K.; Schwarzenboeck, A.; Sellegri, K.; Sicard, M.; Solmon, F.; Somot, S.; Torres, B.; Totems, J.; Triquet, S.; Verdier, N.; Verwaerde, C.; Waquet, F.; Wenger, J.; Zapf, P.

    2016-01-01

    The Chemistry-Aerosol Mediterranean Experiment (ChArMEx; http://charmex.lsce.ipsl.fr) is a collaborative research program federating international activities to investigate Mediterranean regional chemistry-climate interactions. A special observing period (SOP-1a) including intensive airborne measurements was performed in the framework of the Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region (ADRIMED) project during the Mediterranean dry season over the western and central Mediterranean basins, with a focus on aerosol-radiation measurements and their modeling. The SOP-1a took place from 11 June to 5 July 2013. Airborne measurements were made by both the ATR-42 and F-20 French research aircraft operated from Sardinia (Italy) and instrumented for in situ and remote-sensing measurements, respectively, and by sounding and drifting balloons, launched in Minorca. The experimental setup also involved several ground-based measurement sites on islands including two ground-based reference stations in Corsica and Lampedusa and secondary monitoring sites in Minorca and Sicily. Additional measurements including lidar profiling were also performed on alert during aircraft operations at EARLINET/ACTRIS stations at Granada and Barcelona in Spain, and in southern Italy. Remote-sensing aerosol products from satellites (MSG/SEVIRI, MODIS) and from the AERONET/PHOTONS network were also used. Dedicated meso-scale and regional modeling experiments were performed in relation to this observational effort. We provide here an overview of the different surface and aircraft observations deployed during the ChArMEx/ADRIMED period and of associated modeling studies together with an analysis of the synoptic conditions that determined the aerosol emission and transport. Meteorological conditions observed during this campaign (moderate temperatures and southern flows) were not favorable to producing high

  20. Applications of penetrating radiation for small animal imaging

    NASA Astrophysics Data System (ADS)

    Hasegawa, Bruce H.; Wu, Max C.; Iwata, Koji; Hwang, Andrew B.; Wong, Kenneth H.; Barber, William C.; Dae, Michael W.; Sakdinawat, Anne E.

    2002-11-01

    Researchers long have relied on research involving small animals to unravel scientific mysteries in the biological sciences, and to develop new diagnostic and therapeutic techniques in the medical and health sciences. Within the past 2 decades, new techniques have been developed to manipulate the genome of the mouse, allowing the development of transgenic and knockout models of mammalian and human disease, development, and physiology. Traditionally, much biological research involving small animals has relied on the use of invasive methods such as organ harvesting, tissue sampling, and autoradiography during which the animal was sacrificed to perform a single measurement. More recently, imaging techniques have been developed that assess anatomy and physiology in the intact animal, in a way that allows the investigator to follow the progression of disease, or to monitor the response to therapeutic interventions. Imaging techniques that use penetrating radiation at millimeter or submillimeter levels to image small animals include x-ray computed tomography (microCT), single-photon emission computed tomography (microSPECT), and imaging positron emission computed tomography (microPET). MicroCT generates cross-sectional slices which reveal the structure of the object with spatial resolution in the range of 50 to 100 microns. MicroSPECT and microPET are radionuclide imaging techniques in which a radiopharmaceutical is injected into the animal that is accumulated to metabolism, blood flow, bone remodeling, tumor growth, or other biological processes. Both microSPECT and microPET offer spatial resolutions in the range of 1-2 millimeters. However, microPET records annihilation photons produced by a positron-emitting radiopharmaceutical using electronic coincidence, and has a sensitivity approximately two orders of magnitude better than microSPECT, while microSPECT is compatible with gamma-ray emitting radiopharmaceuticals that are less expensive and more readily available

  1. Application of an atomic oxygen beam facility to the investigation of shuttle glow chemistry

    NASA Technical Reports Server (NTRS)

    Arnold, G. S.; Peplinski, D. R.

    1985-01-01

    A facility for the investigation of the interactions of energetic atomic oxygen with solids is described. The facility is comprised of a four chambered, differentially pumped molecular beam apparatus which can be equipped with one of a variety of sources of atomic oxygen. The primary source is a dc arc heated supersonic nozzle source which produces a flux of atomic oxygen in excess of 10 to the 15th power sq cm/sec at the target, at a velocity of 3.5 km/sec. Results of applications of this facility to the study of the reactions of atomic oxygen with carbon and polyimide films are briefly reviewed and compared to data obtained on various flights of the space shuttle. A brief discussion of possible application of this facility to investigation of chemical reactions which might contribute to atmosphere induced vehicle glow is presented.

  2. Distance-dependent radiation chemistry: Oxidation versus hydrogenation of CO in electron-irradiated H2O/CO/H2O ices

    SciTech Connect

    Petrik, Nikolay G.; Monckton, Rhiannon J.; Koehler, Sven; Kimmel, Gregory A.

    2014-11-26

    Electron-stimulated oxidation of CO in layered H2O/CO/H2O ices was investigated with infrared reflection-absorption spectroscopy (IRAS) as function of the distance of the CO layer from the water/vacuum interface. The results show that while both oxidation and reduction reactions occur within the irradiated water films, there are distinct regions where either oxidation or reduction reactions are dominant. At depths less than ~ 15 ML, CO oxidation dominates over the sequential hydrogenation of CO to methanol (CH3OH), and CO2 is the major product of CO oxidation, consistent with previous observations. At its highest yield, CO2 accounts for ~45% of all the reacted CO. Another oxidation product is identified as the formate anion (HCO2-). In contrast, for CO buried more than ~ 35 ML below the water/vacuum interface, the CO-to-methanol conversion efficiency is close to 100%. Production of CO2 and formate are not observed for the more deeply buried CO layers, where hydrogenation dominates. Experiments with CO dosed on pre-irradiated ASW samples suggest that OH radicals are primarily responsible for the oxidation reactions. Possible mechanisms of CO oxidation, involving primary and secondary processes of water radiolysis at low temperature, are discussed. The observed distance-dependent radiation chemistry results from the higher mobility of hydrogen atoms that are created by the interaction of the 100 eV electrons with the water films. These hydrogen atoms, which are primarily created at or near the water/vacuum interface, can desorb from or diffuse into the water films, while the less-mobile OH radicals remain in the near-surface zone resulting in preferential oxidation reactions there. The diffusing hydrogen atoms are responsible for the hydrogenation reactions that are dominant for the more deeply buried CO layers.

  3. CPSDN Contribution to the Implementation of Ionizing Radiation Applications

    SciTech Connect

    Avadanei, Camelia

    2008-08-14

    Nuclear Training Centre (CPSDN) is developing, since 1970, the post secondary school and post university training of the personnel involved in the nuclear field and/or in the related areas. Organized, since 1996, as a Department within the National Institute for Physics and Nuclear Engineering, CPSDN is contributing both to the professional specialization of personnel involved in nuclear research, and to the dissemination of the research results. CPSDN training programmes were permanently adjusted to the objective suggested by the beneficiaries/participants, taking into account their background and training necessities. With almost 50 years of training experience in the nuclear field, CPSDN is prepared to face the new challenges related to the compliance with European practices and increased concern on the safe development of nuclear applications.

  4. A reduced mechanism for biodiesel surrogates with low temperature chemistry for compression ignition engine applications

    NASA Astrophysics Data System (ADS)

    Luo, Zhaoyu; Plomer, Max; Lu, Tianfeng; Som, Sibendu; Longman, Douglas E.

    2012-04-01

    Biodiesel is a promising alternative fuel for compression ignition (CI) engines. It is a renewable energy source that can be used in these engines without significant alteration in design. The detailed chemical kinetics of biodiesel is however highly complex. In the present study, a skeletal mechanism with 123 species and 394 reactions for a tri-component biodiesel surrogate, which consists of methyl decanoate, methyl 9-decanoate and n-heptane was developed for simulations of 3-D turbulent spray combustion under engine-like conditions. The reduction was based on an improved directed relation graph (DRG) method that is particularly suitable for mechanisms with many isomers, followed by isomer lumping and DRG-aided sensitivity analysis (DRGASA). The reduction was performed for pressures from 1 to 100 atm and equivalence ratios from 0.5 to 2 for both extinction and ignition applications. The initial temperatures for ignition were from 700 to 1800 K. The wide parameter range ensures the applicability of the skeletal mechanism under engine-like conditions. As such the skeletal mechanism is applicable for ignition at both low and high temperatures. Compared with the detailed mechanism that consists of 3299 species and 10806 reactions, the skeletal mechanism features a significant reduction in size while still retaining good accuracy and comprehensiveness. The validations of ignition delay time, flame lift-off length and important species profiles were also performed in 3-D engine simulations and compared with the experimental data from Sandia National Laboratories under CI engine conditions.

  5. CLUSTER CHEMISTRY

    SciTech Connect

    Muetterties, Earl L.

    1980-05-01

    Metal cluster chemistry is one of the most rapidly developing areas of inorganic and organometallic chemistry. Prior to 1960 only a few metal clusters were well characterized. However, shortly after the early development of boron cluster chemistry, the field of metal cluster chemistry began to grow at a very rapid rate and a structural and a qualitative theoretical understanding of clusters came quickly. Analyzed here is the chemistry and the general significance of clusters with particular emphasis on the cluster research within my group. The importance of coordinately unsaturated, very reactive metal clusters is the major subject of discussion.

  6. Forensic Chemistry

    NASA Astrophysics Data System (ADS)

    Bell, Suzanne

    2009-07-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  7. Applications Of Monte Carlo Radiation Transport Simulation Techniques For Predicting Single Event Effects In Microelectronics

    SciTech Connect

    Warren, Kevin; Reed, Robert; Weller, Robert; Mendenhall, Marcus; Sierawski, Brian; Schrimpf, Ronald

    2011-06-01

    MRED (Monte Carlo Radiative Energy Deposition) is Vanderbilt University's Geant4 application for simulating radiation events in semiconductors. Geant4 is comprised of the best available computational physics models for the transport of radiation through matter. In addition to basic radiation transport physics contained in the Geant4 core, MRED has the capability to track energy loss in tetrahedral geometric objects, includes a cross section biasing and track weighting technique for variance reduction, and additional features relevant to semiconductor device applications. The crucial element of predicting Single Event Upset (SEU) parameters using radiation transport software is the creation of a dosimetry model that accurately approximates the net collected charge at transistor contacts as a function of deposited energy. The dosimetry technique described here is the multiple sensitive volume (MSV) model. It is shown to be a reasonable approximation of the charge collection process and its parameters can be calibrated to experimental measurements of SEU cross sections. The MSV model, within the framework of MRED, is examined for heavy ion and high-energy proton SEU measurements of a static random access memory.

  8. A Review of Textured Surfaces, Paints, and Coatings for Space Radiator Applications

    NASA Astrophysics Data System (ADS)

    Jaworske, Donald A.

    2004-02-01

    Future space nuclear power systems will require large radiators to dissipate excess thermal energy. Such radiators may be composed of carbon-carbon composite fins made from high thermal conductivity graphite fibers or may be a more traditional honeycomb structure with face sheets composed of a suitable high temperature metal. In either case, the surface of the radiator must have a high emittance at the desired operating temperature, envisioned to be in the range of 400 to 900 K, and must be durable for the length of the mission, envisioned to be ten years. Existing thermal control paints and coatings may be applicable at the low end of the envisioned temperature range, but may not be applicable at elevated temperatures. Hence, other avenues of emittance enhancement need to be explored. Previous work has identified a number of promising technologies that may be useful for enhancing the emittance of candidate surfaces, including texturing the radiator surface via sand blasting, oxidation at elevated temperature, and exposure to atomic oxygen. This paper will review existing candidate thermal control paints and coatings to identify their strengths and weaknesses and will review other promising technologies that have been proposed in the past few years to enhance the emittance of radiator surfaces.

  9. Peer Mentoring in the General Chemistry and Organic Chemistry Laboratories: The Pinacol Rearrangement--An Exercise in NMR and IR Spectroscopy for General Chemistry and Organic Chemistry Laboratories

    ERIC Educational Resources Information Center

    Arrington, Caleb A.; Hill, Jameica B.; Radfar, Ramin; Whisnant, David M.; Bass, Charles G.

    2008-01-01

    This article describes a discovery experiment for general chemistry and organic chemistry labs. Although the pinacol rearrangement has been employed in undergraduate organic laboratories before, in this application organic chemistry students act as mentors to students of general chemistry. Students work together using distillation--a new technique…

  10. Medicinal Radiopharmaceutical Chemistry of Metal Radiopharmaceuticals

    NASA Astrophysics Data System (ADS)

    Saw, Maung Maung

    2012-06-01

    Metal complexes have been used as medicinal compounds. Metals have advantageous features over organic compounds. Significant applications of metal complexes are in the field of nuclear medicine. Radiopharmaceuticals are drugs containing radioisotopes used for diagnostic and therapeutic purposes. The generalized targeting strategy for molecular imaging probe consists of three essential parts: (i) reporter unit or payload, (ii) carrier, and (iii) targeting system. Medicinal radiopharmaceutical chemistry pays special consideration to radioisotopes, as a reporter unit for diagnostic application or as a payload for therapeutic application. Targeting is achieved by a few approaches but the most common is the bifunctional chelator approach. While designing a radiopharmaceutical, a range of issues needs to be considered including properties of metal radioisotopes, bifunctional chelators, linkers, and targeting molecules. Designing radiopharmaceuticals requires consideration of two key words: "compounds of biological interest" and "fit for intended use." The ultimate goal is the development of new diagnostic methods and treatment. Diagnostic metal radiopharmaceuticals are used for SPECT and PET applications. Technetium chemistry constitutes a major portion of SPECT and gallium chemistry constitutes a major portion of PET. Therapeutic radiopharmaceuticals can be constructed by using alpha-, beta minus-, or Auger electron-emitting radiometals. Special uses of medicinal radiopharmaceuticals include internal radiation therapy, brachytherapy, immunoPET, radioimmunotherapy, and peptide receptor radionuclide imaging and therapy.

  11. Evidence for factors modulating radiation-induced G2-delay: potential application as radioprotectors

    NASA Technical Reports Server (NTRS)

    Cheong, N.; Zeng, Z. C.; Wang, Y.; Iliakis, G.

    2001-01-01

    Manipulation of checkpoint response to DNA damage can be developed as a means for protecting astronauts from the adverse effects of unexpected, or background exposures to ionizing radiation. To achieve this goal reagents need to be developed that protect cells from radiation injury by prolonging checkpoint response, thus promoting repair. We present evidence for a low molecular weight substance excreted by cells that dramatically increases the duration of the G2-delay. This compound is termed G2-Arrest Modulating Activity (GAMA). A rat cell line (A1-5) generated by transforming rat embryo fibroblasts with a temperature sensitive form of p53 plus H-ras demonstrates a dramatic increase in radiation resistance after exposure to low LET radiation that is not associated with an increase in the efficiency of rejoining of DNA double strand breaks. Radioresistance in this cell line correlates with a dramatic increase in the duration of the G2 arrest that is modulated by a GAMA produced by actively growing cells. The properties of GAMA suggest that it is a low molecular weight heat-stable peptide. Further characterization of this substance and elucidation of its mechanism of action may allow the development of a biological response modifier with potential applications as a radioprotector. GAMA may be useful for protecting astronauts from radiation injury as preliminary evidence suggests that it is able to modulate the response of cells exposed to heavy ion radiation, similar to that encountered in outer space.

  12. Sulfur Containing Scaffolds in Drugs: Synthesis and Application in Medicinal Chemistry.

    PubMed

    Feng, Minghao; Tang, Bingqing; Liang, Steven H; Jiang, Xuefeng

    2016-01-01

    The impact of the development of sulfur therapeutics is instrumental to the evolution of the pharmaceutical industry. Sulfur-derived functional groups can be found in a broad range of pharmaceuticals and natural products. For centuries, sulfur continues to maintain its status as the dominating heteroatom integrated into a set of 362 sulfur-containing FDA approved drugs (besides oxygen or nitrogen) through the present. Sulfonamides, thioethers, sulfones and Penicillin are the most common scaffolds in sulfur containing drugs, which are well studied both on synthesis and application during the past decades. In this review, these four moieties in pharmaceuticals and recent advances in the synthesis of the corresponding core scaffolds are presented.

  13. Application of hexafluoroacetone as protecting and activating reagent in amino acid and peptide chemistry.

    PubMed

    Burger, K; Rudolph, M; Fehn, S; Worku, A; Golubev, A

    1995-06-01

    Using hexafluoroacetone as protecting and activating reagent, multifunctional amino acids like aspartic acid can be functionalized regioselectively. This strategy offers i.a. a two-step synthesis for aspartame and preparatively simple access to multifunctional natural and unnatural amino acids, like 4-oxo-L-amino acids, 5-diazo-4-oxo-L-amino acids, 4-substituted L-proline derivatives and various heterocyclic L-amino acids. On application of this strategy to amino diacetic acid N-substituted glycines become readily available.

  14. Application of green chemistry techniques to prepare electrocatalysts for direct methanol fuel cells.

    PubMed

    Shimizu, Kenichi; Wang, Joanna S; Wai, Chien M

    2010-03-25

    A series of green techniques for synthesizing carbon nanotube-supported platinum nanoparticles and their high electrocatalytic activity toward methanol fuel cell applications are reported. The techniques utilize either the supercritical fluid carbon dioxide or water as a medium for depositing platinum nanoparticles on surfaces of multiwalled or single-walled carbon nanotubes. The catalytic properties of the carbon nanotubes-supported Pt nanoparticle catalysts prepared by four different techniques are compared for anodic oxidation of methanol and cathodic reduction of oxygen using cyclic voltammetry. One technique using galvanic exchange of Pt(2+) in water with zerovalent iron present on the surfaces of as-grown single-walled carbon nanotubes produces a Pt catalyst that shows an unusually high catalytic activity for reduction of oxygen but a negligible activity for oxidation of methanol. This fuel-selective catalyst may have a unique application as a cathode catalyst in methanol fuel cells to alleviate the problems caused by crossover of methanol through the polymer electrolyte membrane. PMID:19827801

  15. Soil application of an aluminum industry by-product: Influences on soil chemistry and plant nutrition

    SciTech Connect

    Provin, T.L.; Joern, B.C.

    1996-11-01

    The recovery of metallic aluminum from furnace slag (skim) requires a fluxing salt to encapsulate metal oxides.A change from sodium chloride to potassium chloride (KCl) as a fluxing agent may allow for the annual agronomic land application of up to 2 million metric tons of this currently landfilled by-product. Both greenhouse and laboratory experiments were employed to study the influence of skim applications on soil and plant uptake of metals. In the greenhouse, KCl-enriched skim, KCl, and potassium sulfate were evaluated as potassium (K) fertilizers for wheat and alfalfa were grown on three soils and washed quartz sand. All K sources increased dry matter yields in both crops on all soils. Total metal analysis of tissue samples and analysis of soil pH, exchangeable base, and available phosphorus will also be presented. The utilization of a KCl-enrich skim product as a K fertilizer may provide an environmentally suitable alternative to landfills as well as an inexpensive source of K fertilizer to agriculture.

  16. Application of green chemistry techniques to prepare electrocatalysts for direct methanol fuel cells.

    PubMed

    Shimizu, Kenichi; Wang, Joanna S; Wai, Chien M

    2010-03-25

    A series of green techniques for synthesizing carbon nanotube-supported platinum nanoparticles and their high electrocatalytic activity toward methanol fuel cell applications are reported. The techniques utilize either the supercritical fluid carbon dioxide or water as a medium for depositing platinum nanoparticles on surfaces of multiwalled or single-walled carbon nanotubes. The catalytic properties of the carbon nanotubes-supported Pt nanoparticle catalysts prepared by four different techniques are compared for anodic oxidation of methanol and cathodic reduction of oxygen using cyclic voltammetry. One technique using galvanic exchange of Pt(2+) in water with zerovalent iron present on the surfaces of as-grown single-walled carbon nanotubes produces a Pt catalyst that shows an unusually high catalytic activity for reduction of oxygen but a negligible activity for oxidation of methanol. This fuel-selective catalyst may have a unique application as a cathode catalyst in methanol fuel cells to alleviate the problems caused by crossover of methanol through the polymer electrolyte membrane.

  17. Nuclear modeling for applications in medical radiation therapy and accelerator-driven technologies

    SciTech Connect

    Chadwick, M.B.

    1995-06-01

    An understanding of the interactions of neutrons and protons below a few hundred MeV with nuclei is important for a number of applications. In this paper, two new applications are discussed: radiation transport calculations of energy deposition in fast neutron and proton cancer radiotherapy to optimize the dose given to a tumor; and intermediate-energy proton accelerators which are currently being designed for a range of applications including the destruction of long-lived radioactive nuclear waste. We describe nuclear theory calculations of direct, preequilibrium, and compound nucleus reaction mechanisms important for the modeling of these systems.

  18. The application of color display techniques for the analysis of Nimbus infrared radiation data

    NASA Technical Reports Server (NTRS)

    Allison, L. J.; Cherrix, G. T.; Ausfresser, H.

    1972-01-01

    A color enhancement system designed for the Applications Technology Satellite (ATS) spin scan experiment has been adapted for the analysis of Nimbus infrared radiation measurements. For a given scene recorded on magnetic tape by the Nimbus scanning radiometers, a virtually unlimited number of color images can be produced at the ATS Operations Control Center from a color selector paper tape input. Linear image interpolation has produced radiation analyses in which each brightness-color interval has a smooth boundary without any mosaic effects. An annotated latitude-longitude gridding program makes it possible to precisely locate geophysical parameters, which permits accurate interpretation of pertinent meteorological, geological, hydrological, and oceanographic features.

  19. Efficient application of the spectrally integrated Voigt function to radiative transfer spectroscopy

    NASA Astrophysics Data System (ADS)

    Abrarov, Sanjar

    We present a new application of the spectrally integrated Voigt function (SIVF) to the radiative transfer spectroscopy that enables computation of the spectral radiance and radiance at reduced spectral resolution. Applying a technique based on the Fourier expansion of the exponential multiplier we obtain the series approximations providing high-accuracy and rapid SIVF computation. In contrast to traditional line-by-line (LBL) radiative transfer models, the proposed SIVF algorithm prevents underestimation in the absorption coefficients and, therefore, preserves the radiant energy. LBL sample computations utilizing SIVF algorithm show the advantages of the proposed methodology in terms of the accuracy and computational speed.

  20. Evaluation and Applications of the satellite-based CM SAF Solar Surface Radiation Climate Data Set

    NASA Astrophysics Data System (ADS)

    Trentmann, J.; Herzog, S.; Kothe, S.; Mueller, R. W.; Pfeifroth, U.; Ahrens, B.; Sanchez-Lorenzo, A.

    2015-12-01

    The incoming surface solar radiation has been defined as an essential climate variable by GCOS. It is mandatory to monitor this part of the earth's energy balance, and thus gain insights on the state and variability of the climate system. In addition, data sets of surface solar radiation have received increased attention over the recent years as an important source of information for solar energy applications. The EUMETSAT Satellite Application Facility on Climate Monitoring (CM SAF) is deriving surface solar radiation from geostationary and polar-orbiting satellite instruments. While CM SAF is focusing on high-quality long-term climate data records, operational data is also provided with a short time latency within about 2 weeks. Here we present the SARAH data set (Solar Surface Radiation Dataset - Heliosat) based on Meteosat satellite observations. SARAH provides hourly, daily- and monthly-averaged data of the effective cloud albedo (CAL), the direct normalized solar radiation (DNI) and the solar irradiance (SIS) from 1983 to 2013 for the full view of the Meteosat satellite (i.e, Europe, Africa, parts of South America, and the Atlantic ocean). The data sets are generated with a high spatial resolution of 0.05 deg allowing for detailed regional studies, and are available in netcdf-format at no cost without restrictions at www.cmsaf.eu. The mean absolute bias (i.e., the accuracy) of the SARAH data set as compared to surface reference observations has been determined to be 5.5 W/m2 for SIS and 8.2 W/m2 for DNI, i.e., within the accuracy of the ground-based measurements. The interannual and decadal variability of the SARAH SIS data are comparable to surface observations in Europe, although with a tendency to underestimate the mean increase in surface solar radiation (1.65 W/m2/dec compared to 3.3 W/m2/dec). Substantial temporal and spatial variability in the overall increase in surface solar radiation is found in the SARAH data set. Temporal changes in the frequency