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Sample records for ii collected chemical

  1. Chemical Bonds II

    ERIC Educational Resources Information Center

    Sanderson, R. T.

    1972-01-01

    The continuation of a paper discussing chemical bonding from a bond energy viewpoint, with a number of examples of single and multiple bonds. (Part I appeared in volume 1 number 3, pages 16-23, February 1972.) (AL)

  2. Devices for collecting chemical compounds

    DOEpatents

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  3. Current evaluation of the millennium phytomedicine- ginseng (II): Collected chemical entities, modern pharmacology, and clinical applications emanated from traditional Chinese medicine.

    PubMed

    Jia, Lee; Zhao, Yuqing; Liang, Xing-Jie

    2009-01-01

    This review, a sequel to part 1 in the series, collects about 107 chemical entities separated from the roots, leaves and flower buds of Panax ginseng, quinquefolius and notoginseng, and categorizes these entities into about 18 groups based on their structural similarity. The bioactivities of these chemical entities are described. The 'Yin and Yang' theory and the fundamentals of the 'five elements' applied to the traditional Chinese medicine (TCM) are concisely introduced to help readers understand how ginseng balances the dynamic equilibrium of human physiological processes from the TCM perspectives. This paper concerns the observation and experimental investigation of biological activities of ginseng used in the TCM of past and present cultures. The current biological findings of ginseng and its medical applications are narrated and critically discussed, including 1) its antihyperglycemic effect that may benefit type II diabetics; in vitro and in vivo studies demonstrated protection of ginseng on beta-cells and obese diabetic mouse models. The related clinical trial results are stated. 2) its aphrodisiac effect and cardiovascular effect that partially attribute to ginseng's bioactivity on nitric oxide (NO); 3) its cognitive effect and neuropharmacological effect that are intensively tested in various rat models using purified ginsenosides and show a hope to treat Parkinson's disease (PD); 4) its uses as an adjuvant or immunotherapeutic agent to enhance immune activity, appetite and life quality of cancer patients during their chemotherapy and radiation. Although the apoptotic effect of ginsenosides, especially Rh2, Rg3 and Compound K, on various tumor cells has been shown via different pathways, their clinical effectiveness remains to be tested. This paper also updates the antioxidant, anti-inflammatory, anti-apoptotic and immune-stimulatory activities of ginseng, its ingredients and commercial products, as well as common side effects of ginseng mainly due to its

  4. Current Evaluation of the Millennium Phytomedicine— Ginseng (II): Collected Chemical Entities, Modern Pharmacology, and Clinical Applications Emanated from Traditional Chinese Medicine

    PubMed Central

    Jia, Lee; Zhao, Yuqing; Liang, Xing-Jie

    2009-01-01

    This review, a sequel to part 1 in the series, collects about 107 chemical entities separated from the roots, leaves and flower buds of Panax ginseng, quinquefolius and notoginseng, and categorizes these entities into about 18 groups based on their structural similarity. The bioactivities of these chemical entities are described. The ‘Yin and Yang’ theory and the fundamentals of the ‘five elements’ applied to the traditional Chinese medicine (TCM) are concisely introduced to help readers understand how ginseng balances the dynamic equilibrium of human physiological processes from the TCM perspectives. This paper concerns the observation and experimental investigation of biological activities of ginseng used in the TCM of past and present cultures. The current biological findings of ginseng and its medical applications are narrated and critically discussed, including 1) its antihyperglycemic effect that may benefit type II diabetics; in vitro and in vivo studies demonstrated protection of ginseng on beta-cells and obese diabetic mouse models. The related clinical trial results are stated. 2) its aphrodisiac effect and cardiovascular effect that partially attribute to ginseng’s bioactivity on nitric oxide (NO); 3) its cognitive effect and neuropharmacological effect that are intensively tested in various rat models using purified ginsenosides and show a hope to treat Parkinson’s disease (PD); 4) its uses as an adjuvant or immunotherapeutic agent to enhance immune activity, appetite and life quality of cancer patients during their chemotherapy and radiation. Although the apoptotic effect of ginsenosides, especially Rh2, Rg3 and Compound K, on various tumor cells has been shown via different pathways, their clinical effectiveness remains to be tested. This paper also updates the antioxidant, anti-inflammatory, anti-apoptotic and immune-stimulatory activities of ginseng, its ingredients and commercial products, as well as common side effects of ginseng

  5. Dynamic instability of collective myosin II motors

    NASA Astrophysics Data System (ADS)

    Li, Jin-Fang; Wang, Zi-Qing; Li, Qi-Kun; Xing, Jian-Jun; Wang, Guo-Dong

    2016-11-01

    Some kinds of muscles can oscillate spontaneously, which is related to the dynamic instability of the collective motors. Based on the two-state ratchet model and with consideration of the motor stiffness, the dynamics of collective myosin II motors are studied. It is shown that when the motor stiffness is small, the velocity of the collective motors decreases monotonically with load increasing. When the motor stiffness becomes large, dynamic instability appears in the force-velocity relationship of the collective-motor transport. For a large enough motor stiffness, the zero-velocity point lies in the unstable range of the force-velocity curve, and the motor system becomes unstable before the motion is stopped, so spontaneous oscillations can be generated if the system is elastically coupled to its environment via a spring. The oscillation frequency is related to the motor stiffness, motor binding rate, spring stiffness, and the width of the ATP excitation interval. For a medium motor stiffness, the zero-velocity point lies outside the unstable range of the force-velocity curve, and the motion will be stopped before the instability occurs. Project supported by the National Natural Science Foundation of China (Grant No. 11205123).

  6. Collective surfing of chemically active particles.

    PubMed

    Masoud, Hassan; Shelley, Michael J

    2014-03-28

    We study theoretically the collective dynamics of immotile particles bound to a 2D surface atop a 3D fluid layer. These particles are chemically active and produce a chemical concentration field that creates surface-tension gradients along the surface. The resultant Marangoni stresses create flows that carry the particles, possibly concentrating them. For a 3D diffusion-dominated concentration field and Stokesian fluid we show that the surface dynamics of active particle density can be determined using nonlocal 2D surface operators. Remarkably, we also show that for both deep or shallow fluid layers this surface dynamics reduces to the 2D Keller-Segel model for the collective chemotactic aggregation of slime mold colonies. Mathematical analysis has established that the Keller-Segel model can yield finite-time, finite-mass concentration singularities. We show that such singular behavior occurs in our finite-depth system, and study the associated 3D flow structures.

  7. 40 CFR Table II-2 to Subpart II - Collection Efficiencies of Anaerobic Processes

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 22 2013-07-01 2013-07-01 false Collection Efficiencies of Anaerobic Processes II Table II-2 to Subpart II Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Industrial Wastewater Treatment Pt....

  8. 40 CFR Table II-2 to Subpart II - Collection Efficiencies of Anaerobic Processes

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 21 2014-07-01 2014-07-01 false Collection Efficiencies of Anaerobic Processes II Table II-2 to Subpart II Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Industrial Wastewater Treatment Pt....

  9. Chemical implementation and thermodynamics of collective neural networks.

    PubMed Central

    Hjelmfelt, A; Ross, J

    1992-01-01

    The chemical implementation of a neuron and connections among neurons described in prior work is used to construct collective neural networks. With stated approximations, these chemical networks are reduced to networks of the Hopfield type. Chemical networks approaching a stationary or equilibrium state provide a Liapunov function with the same extremal properties as Hopfield's energy function. Numerical comparisons of chemical and Hopfield networks with small numbers (2-16) of neurons show agreement on the results of given computations. PMID:1729709

  10. Device for collecting chemical compounds and related methods

    DOEpatents

    Scott, Jill R.; Groenewold, Gary S.; Rae, Catherine

    2013-01-01

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from the fixed surfaces so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  11. Analysis of data collected by the Tatyana II satellite

    NASA Astrophysics Data System (ADS)

    Lilianaa, Rivera; Oscar, Martínez; Eduardo, Mendoza-Torres; Humberto, Salazar

    2011-04-01

    The Tatyana II satellite is the second one of the University Satellite Program, which is led by the Moscow State University with the participation of the Benemerita Universidad Autonoma de Puebla. This satellite has ultraviolet, red-infrared and charged particles detectors. In this work preliminary results based on the data collected by these detectors on board the satellite over a period of ~3.5 months are presented.

  12. Volcanic lake systematics II. Chemical constraints

    USGS Publications Warehouse

    Varekamp, J.C.; Pasternack, G.B.; Rowe, G.L.

    2000-01-01

    A database of 373 lake water analyses from the published literature was compiled and used to explore the geochemical systematics of volcanic lakes. Binary correlations and principal component analysis indicate strong internal coherence among most chemical parameters. Compositional variations are influenced by the flux of magmatic volatiles and/or deep hydrothermal fluids. The chemistry of the fluid entering a lake may be dominated by a high-temperature volcanic gas component or by a lower-temperature fluid that has interacted extensively with volcanic rocks. Precipitation of minerals like gypsum and silica can strongly affect the concentrations of Ca and Si in some lakes. A much less concentrated geothermal input fluid provides the mineralized components of some more dilute lakes. Temporal variations in dilution and evaporation rates ultimately control absolute concentrations of dissolved constituents, but not conservative element ratios. Most volcanic lake waters, and presumably their deep hydrothermal fluid inputs, classify as immature acid fluids that have not equilibrated with common secondary silicates such as clays or zeolites. Many such fluids may have equilibrated with secondary minerals earlier in their history but were re-acidified by mixing with fresh volcanic fluids. We use the concept of 'degree of neutralization' as a new parameter to characterize these acid fluids. This leads to a classification of gas-dominated versus rock-dominated lake waters. A further classification is based on a cluster analysis and a hydrothermal speedometer concept which uses the degree of silica equilibration of a fluid during cooling and dilution to evaluate the rate of fluid equilibration in volcano-hydrothermal systems.

  13. Featured collection introduction: contaminants of emerging concern II

    USGS Publications Warehouse

    Battaglin, William A.; Kolok, Alan; Battaglin, William; Kolok, Alan

    2014-01-01

    This collection of 13 articles focuses on CECs, and each of the articles highlights a specific aspect of this broad topic. The articles were solicited from researchers who participated in the second summer specialty conference on this topic, organized by the American Water Resources Association. The title of the conference was “CECs in Water Resources II: Research, Engineering and Community Action,” and the conference, as well as the articles in this featured collection, focus on a better and more comprehensive understanding of these contaminants. The conference was held in Denver, Colorado, on June 25-27, 2012, and approximately 125 conference attendees participated in an interdisciplinary forum of more than 75 presentations including keynote or plenary presentations by Dana Kolpin, Jorg Drewes, Heiko Schoenfuss, Chris Metcalfe, Vicki Blazer, and Tyrone Hayes. The first conference was held in 2007 and also produced a featured collection of articles (Battaglin and Kolpin, 2009).

  14. Impedances and collective instabilities of the Tevatron at Run II

    SciTech Connect

    Ng, King-Yuen, FERMI

    1998-09-01

    The longitudinal and transverse coupling impedances of the Tevatron vacuum chamber are estimated and summed up. The resistive-wall impedances of the beam pipe and the laminations in the Lambertson magnets dominate below {approximately} 50 MHz. Then come the inductive parts of the bellows and BPM`s. The longitudinal and transverse collective instabilities, for both single bunch and multi bunches, are studied using Run II parameters. As expected the transverse coupled-bunch instability driven by the resistive-wall impedance is the most severe collective instability. However, it can be damped by a transverse damper designed for the correction of injection offsets. The power of such a damper has been studied.

  15. PWR steam generator chemical cleaning. Phase II. Final report

    SciTech Connect

    Not Available

    1980-01-01

    Two techniques believed capable of chemically dissolving the corrosion products in the annuli between tubes and support plates were developed in laboratory work in Phase I of this project and were pilot tested in Indian Point Unit No. 1 steam generators. In Phase II, one of the techniques was shown to be inadequate on an actual sample taken from an Indian Point Unit No. 2 steam generator. The other technique was modified slightly, and it was demonstrated that the tube/support plate annulus could be chemically cleaned effectively.

  16. Appendix C. Collection of Samples for Chemical Agent Analysis

    SciTech Connect

    Koester, C; Thompson, C; Doerr, T; Scripsick, R

    2005-09-23

    This chapter describes procedures for the collection and analysis of samples of various matrices for the purpose of determining the presence of chemical agents in a civilian setting. This appendix is intended to provide the reader with sufficient information to make informed decisions about the sampling and analysis process and to suggest analytical strategies that might be implemented by the scientists performing sampling and analysis. This appendix is not intended to be used as a standard operating procedure to provide detailed instructions as to how trained scientists should handle samples. Chemical agents can be classified by their physical and chemical properties. Table 1 lists the chemical agents considered by this report. In selecting sampling and analysis methods, we have considered procedures proposed by the Organization for Prohibition of Chemical Weapons (OPCW), the U. S. Environmental Protection Agency (EPA), and peer-reviewed scientific literature. EPA analytical methods are good resources describing issues of quality assurance with respect to chain-of-custody, sample handling, and quality control requirements.

  17. The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space.

    PubMed

    Nicolaou, Christos A; Watson, Ian A; Hu, Hong; Wang, Jibo

    2016-07-25

    Venturing into the immensity of the small molecule universe to identify novel chemical structure is a much discussed objective of many methods proposed by the chemoinformatics community. To this end, numerous approaches using techniques from the fields of computational de novo design, virtual screening and reaction informatics, among others, have been proposed. Although in principle this objective is commendable, in practice there are several obstacles to useful exploitation of the chemical space. Prime among them are the sheer number of theoretically feasible compounds and the practical concern regarding the synthesizability of the chemical structures conceived using in silico methods. We present the Proximal Lilly Collection initiative implemented at Eli Lilly and Co. with the aims to (i) define the chemical space of small, drug-like compounds that could be synthesized using in-house resources and (ii) facilitate access to compounds in this large space for the purposes of ongoing drug discovery efforts. The implementation of PLC relies on coupling access to available synthetic knowledge and resources with chemo/reaction informatics techniques and tools developed for this purpose. We describe in detail the computational framework supporting this initiative and elaborate on the characteristics of the PLC virtual collection of compounds. As an example of the opportunities provided to drug discovery researchers by easy access to a large, realistically feasible virtual collection such as the PLC, we describe a recent application of the technology that led to the discovery of selective kinase inhibitors.

  18. 78 FR 41785 - Agency Information Collection Activities; Comment Request; Implementation of Title I/II Program...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-11

    ... Agency Information Collection Activities; Comment Request; Implementation of Title I/II Program... notice will be considered public records. Title of Collection: Implementation of Title I/II Program... Estimated Number of Annual Burden Hours: 6,573. Abstract: The Implementation of Title I/II...

  19. Quantifying the uncertainties of chemical evolution studies. II. Stellar yields

    NASA Astrophysics Data System (ADS)

    Romano, D.; Karakas, A. I.; Tosi, M.; Matteucci, F.

    2010-11-01

    Context. Galactic chemical evolution models are useful tools for interpreting the large body of high-quality observational data on the chemical composition of stars and gas in galaxies that have become available in recent years. Aims: This is the second paper of a series that aims at quantifying the uncertainties in chemical evolution model predictions related to the underlying model assumptions. Specifically, it deals with the uncertainties due to the choice of the stellar yields. Methods: We adopted a widely used model for the chemical evolution of the Galaxy to test the effects of changing the stellar nucleosynthesis prescriptions on the predicted evolution of several chemical species. Up-to-date results from stellar evolutionary models were carefully taken into account. Results: We find that, except for a handful of elements whose nucleosynthesis in stars is well understood by now, large uncertainties still affect model predictions. This is especially true for the majority of the iron-peak elements, but also for much more abundant species such as carbon and nitrogen. The main causes of the mismatch we find among the outputs of different models assuming different stellar yields and among model predictions and observations are (i) the adopted location of the mass cut in models of type II supernova explosions; (ii) the adopted strength and extent of hot bottom burning in models of asymptotic giant branch stars; (iii) the neglection of the effects of rotation on the chemical composition of the stellar surfaces; (iv) the adopted rates of mass loss and of (v) nuclear reactions; and (vi) the different treatments of convection. Conclusions: Our results suggest that it is mandatory to include processes such as hot bottom burning in intermediate-mass stars and rotation in stars of all masses in accurate studies of stellar evolution and nucleosynthesis. In spite of their importance, both these processes still have to be better understood and characterized. As for massive

  20. Chemical distribution of H II regions towards the Galactic anticentre

    NASA Astrophysics Data System (ADS)

    Fernández-Martín, A.; Pérez-Montero, E.; Vílchez, J. M.; Mampaso, A.

    2017-01-01

    Context. The study of the radial variations of metallicity across the Galactic disc is a powerful method for understanding the history of star formation and chemical evolution of the Milky Way. Although several studies about gradients have been performed so far, the knowledge of the Galactic antincentre is still poor. Aims: This work aims to determine accurately the physical and chemical properties of a sample of H ii regions located at RG > 11 kpc and to study the radial distribution of abundances in the outermost part of the Galaxy disc. Methods: We carried out new optical spectroscopic observations of nine H ii regions with the William Herschel Telescope covering the spectral range from 3500 Å to 10 100 Å. In addition, we increased the sample by searching the literature for optical observations of regions towards the Galactic anticentre, re-analysing them to obtain a single sample of 23 objects to be processed in a homogeneous and consistent manner. The total sample distribution covers the Galactocentric radius from 11 kpc to 18 kpc. Results: Emission line ratios were used to determine accurate electron densities and temperatures of several ionic species in 13 H ii regions. These physical parameters were applied to the spectra to determine direct total chemical abundances. For those regions without direct estimations of temperature, chemical abundances were derived by performing tailor-made photoionisation models and/or by using an empirical relation obtained from radio recombination and optical temperatures. We performed weighted least-squares fits to the distribution of the derived abundances along the Galactocentric distances to study the radial gradients of metallicity across the outermost part of the MW. The distributions O/H, N/H, S/H, and Ar/H towards the anticentre can be represented by decreasing linear radial gradients, while in the case of N/O abundances the radial distribution is better fitted with a two-zone model. The He/H radial gradient is

  1. 77 FR 59891 - Proposed Information Collection; Comment Request; Chemical Weapons Convention Declaration and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-01

    ... Bureau of Industry and Security Proposed Information Collection; Comment Request; Chemical Weapons...@bis.doc.gov . SUPPLEMENTARY INFORMATION: ] I. Abstract The Chemical Weapons Convention Implementation Act of 1998 and Commerce Chemical Weapons Convention Regulations (CWCR) specify the...

  2. Device and method for enhanced collection and assay of chemicals with high surface area ceramic

    DOEpatents

    Addleman, Raymond S.; Li, Xiaohong Shari; Chouyyok, Wilaiwan; Cinson, Anthony D.; Bays, John T.; Wallace, Krys

    2016-02-16

    A method and device for enhanced capture of target analytes is disclosed. This invention relates to collection of chemicals for separations and analysis. More specifically, this invention relates to a solid phase microextraction (SPME) device having better capability for chemical collection and analysis. This includes better physical stability, capacity for chemical collection, flexible surface chemistry and high affinity for target analyte.

  3. Improved Devices for Collecting Sweat for Chemical Analysis

    NASA Technical Reports Server (NTRS)

    Feedback, Daniel L.; Clarke, Mark S. F.

    2011-01-01

    Improved devices have been proposed for collecting sweat for biochemical analysis - especially for determination of the concentration of Ca2+ ions in sweat as a measure of loss of Ca from bones. Unlike commercially available sweat-collection patches used previously in monitoring osteoporosis and in qualitative screening for some drugs, the proposed devices would not allow evaporation of the volatile chemical components (mostly water) of sweat. Moreover, the proposed devices would be designed to enable determination of the volumes of collected sweat. From these volumes and the quantities of Ca(2+) and/or other analytes as determined by other means summarized below, one could determine the concentrations of the analytes in sweat. A device according to the proposal would be flexible and would be worn like a commercial sweat-collection patch. It would be made of molded polydimethylsiloxane (silicone rubber) or other suitable material having properties that, for the purpose of analyzing sweat, are similar to those of glass. The die for molding the silicone rubber would be fabricated by a combination of lithography and electroplating. The die would reproducibly form, in the silicone rubber, a precisely defined number of capillary channels per unit area, each channel having a precisely defined volume. Optionally, electrodes for measuring the Ca(2+) content of the sweat could be incorporated into the device. The volume of sweat collected in the capillary channels of the device would be determined from (1) the amount of light or radio waves of a given wavelength absorbed by the device and (2) the known geometry of the array of capillary channels. Then, in one of two options, centrifugation would be performed to move the sweat from the capillary tubes to the region containing the electrodes, which would be used to measure the Ca(2+) content by a standard technique. In the other option, centrifugation would be performed to remove the sweat from the device to make the sweat

  4. Improved Devices for Collecting Sweat for Chemical Analysis

    NASA Technical Reports Server (NTRS)

    Feeback, Daniel L.; Clarke, Mark S. F.

    2011-01-01

    Improved devices have been proposed for collecting sweat for biochemical analysis especially for determination of the concentration of Ca2+ ions in sweat as a measure of loss of Ca from bones. Unlike commercially available sweat-collection patches used previously in monitoring osteoporosis and in qualitative screening for some drugs, the proposed devices would not allow evaporation of the volatile chemical components (mostly water) of sweat. Moreover, the proposed devices would be designed to enable determination of the volumes of collected sweat. From these volumes and the quantities of Ca2+ and/or other analytes as determined by other means summarized below, one could determine the concentrations of the analytes in sweat. A device according to the proposal would be flexible and would be worn like a commercial sweat-collection patch. It would be made of molded polydimethylsiloxane (silicone rubber) or other suitable material having properties that, for the purpose of analyzing sweat, are similar to those of glass. The die for molding the silicone rubber would be fabricated by a combination of lithography and electroplating. The die would reproducibly form, in the silicone rubber, a precisely defined number of capillary channels per unit area, each channel having a precisely defined volume. Optionally, electrodes for measuring the Ca2+ content of the sweat could be incorporated into the device. The volume of sweat collected in the capillary channels of the device would be determined from (1) the amount of light or radio waves of a given wavelength absorbed by the device and (2) the known geometry of the array of capillary channels. Then, in one of two options, centrifugation would be performed to move the sweat from the capillary tubes to the region containing the electrodes, which would be used to measure the Ca2+ content by a standard technique. In the other option, centrifugation would be performed to remove the sweat from the device to make the sweat available

  5. 77 FR 60743 - Proposed Collection; Comment Request for Schedule F, Part II and III (Form 1040)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-04

    ... Internal Revenue Service Proposed Collection; Comment Request for Schedule F, Part II and III (Form 1040... Law 104-13 (44 U.S.C. 3506(c)(2)(A)). Currently, the IRS is soliciting comments concerning Schedule F... Number: Schedule F, Part II and III (Form 1040). Abstract: Schedule F, Part II and III (Form 1040)...

  6. Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.

    PubMed

    Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi

    2015-12-23

    Despite tremendous progress in optoelectronic devices using lead perovskite (CH3NH3(+)PbI3(-)), there has been a paucity of mechanistic information on how photoactive micron-sized crystals of lead perovskite grow from a mixture of a layered crystal of lead(II) iodide and methylammonium iodide mediated by a polar solvent, DMSO or DMF. We report here that the whole process of the lead perovskite synthesis consists of a series of equilibria driven by reversible solvent participation involving a polymeric strip of plumbate(II) oligomer as a key intermediate. A significant finding includes quick decomposition of perovskite crystal upon exposure to DMSO or DMF at room temperature, where the solvent molecules act as a base to remove acidic ammonium iodide from the perovskite crystal. This observation accounts for the difficulty in controlling perovskite solar cell fabrication. Overall, the polar solvent is indispensible first to degrade a 2-D sheet of crystals of lead(II) iodide into 1-D fibrous intermediates and then to promote Oswald ripening of perovskite crystals. The detailed chemical information provided here will help to rationalize the photovoltaic device studies that have so far remained empirical and to open a new venue to a developing field of microscale lead perovskite devices, as illustrated by fabrication of photovoltaic devices and photodetectors.

  7. High-Frequency (1)H NMR Chemical Shifts of Sn(II) and Pb(II) Hydrides Induced by Relativistic Effects: Quest for Pb(II) Hydrides.

    PubMed

    Vícha, Jan; Marek, Radek; Straka, Michal

    2016-10-17

    The role of relativistic effects on (1)H NMR chemical shifts of Sn(II) and Pb(II) hydrides is investigated by using fully relativistic DFT calculations. The stability of possible Pb(II) hydride isomers is studied together with their (1)H NMR chemical shifts, which are predicted in the high-frequency region, up to 90 ppm. These (1)H signals are dictated by sizable relativistic contributions due to spin-orbit coupling at the heavy atom and can be as large as 80 ppm for a hydrogen atom bound to Pb(II). Such high-frequency (1)H NMR chemical shifts of Pb(II) hydride resonances cannot be detected in the (1)H NMR spectra with standard experimental setup. Extended (1)H NMR spectral ranges are thus suggested for studies of Pb(II) compounds. Modulation of spin-orbit relativistic contribution to (1)H NMR chemical shift is found to be important also in the experimentally known Sn(II) hydrides. Because the (1)H NMR chemical shifts were found to be rather sensitive to the changes in the coordination sphere of the central metal in both Sn(II) and Pb(II) hydrides, their application for structural investigation is suggested.

  8. Analysis of Thermal Imagery Collected at Grayling II, Grayling, Michigan

    DTIC Science & Technology

    1994-11-01

    Terrain features’ LWB and SWB IR signatures by time of day during Grayling II exercise (04Mar- 15Apr94) (Continued...29 7 (Concluded) ....................................................................................... 31 8 Bare soil LWB and SWB IR... LWB and SWB IR signatures and air temperature (E3 station, 2 m above ground) during Grayling H exercise

  9. Chemical profile of size-fractionated soils collected in a semiarid industrial area of Argentina

    NASA Astrophysics Data System (ADS)

    Morales Del Mastro, Anabella; Pereyra, Marcelo; Londonio, Agustín; Pereyra, Victoria; Rebagliati, Raúl Jiménez; Dawidowski, Laura; Gómez, Darío; Smichowski, Patricia

    2014-12-01

    A study was undertaken to assess the chemical profile of soil collected in Bahía Blanca (Argentina). In this industrial city, semiarid soils are affected by different industrial and agricultural activities, the presence of a saltpeter extraction facility, traffic and increasing urbanization. Sixteen soil samples (superficial and sub-superficial) were collected. Samples were sieved in two fractions (A < 37 μm, and 37 < B < 50 μm) before elemental analysis. Major, minor and trace elements namely, Al, As, Ba, Ca, Cd, Cr, Cu, Fe, Mg, Mn, Mo, Ni, Pb, Sb, Ti, V and Zn were determined by inductively coupled plasma optical emission spectrometry (ICP OES). Anions (Cl-, F-, SO42-) and cations (K+, Na+ and NH4+) were determined by high performance liquid chromatography (HPLC) after an aqueous extraction. As expected, crustal elements namely, Al, Ca, Fe, Mg and Ti exhibited the highest concentrations. Mean elemental concentration ranged from <0.3 μg g-1 (Sb) to 14.6 ± 0.6% (Ca). Ions concentrations in the soluble fraction measured at mg g-1 levels were in the order Cl- > Na+ ≅ SO42- > K+ > NO3-. Three indicators, namely, (i) coefficient of variation, (ii) coefficient of divergence and (iii) ratio of elemental concentration with respect to Ca were used to assess chemical, spatial and inter-profile variability. Chloride > Ca > Na+ > Mo > SO42-, dominated the variability indicating that these are key chemical markers for future assessment of crustal contribution to airborne particles in the area. The ratios Xi/Ca allowed discriminating the soil of the semi-arid region surrounding Bahía Blanca. The chemical profiles obtained in this study, particularly those of topsoil, will be a key input to characterize soil resuspension and its contribution to airborne particulate matter in a forthcoming receptor model analysis.

  10. 77 FR 22559 - Proposed Information Collection; Comment Request; Chemical Weapons Convention Provisions of the...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-16

    ... Bureau of Industry and Security Proposed Information Collection; Comment Request; Chemical Weapons...) 482-4895, Lawrence.Hall@bis.doc.gov . SUPPLEMENTARY INFORMATION: I. Abstract The Chemical Weapons... weapons (CW). The CWC prohibits the use, development, production, acquisition, stockpiling, retention,...

  11. Recovery of Cu(II) by chemical reduction using sodium dithionite.

    PubMed

    Chou, Yi-Hsuan; Yu, Jui-Hsuan; Liang, Yang-Min; Wang, Pin-Jan; Li, Chi-Wang; Chen, Shiao-Shing

    2015-12-01

    Wastewaters containing Cu(II) along with ligands are ubiquitous in various industrial sectors. Efficacy of treatment processes for copper removal, especially precipitation, is greatly debilitated by ligands. Chemical reduction being commonly employed for production of metal nanoparticles has also been used for removing copper. Addition of ammonia was reported to be essential for improving copper reduction efficiency by increasing copper solubility at alkaline pH values. In this study, chemical reduction was employed to treat ligand-containing wastewater, exploiting the fact that ligands and metals are coexisted in many wastewaters. Result shows that copper ions were removed by either reduction or precipitation mechanisms depending on pH, type of ligands, and mixing condition. Complete copper reduction/removal was achieved under optimal condition. The lowest removal efficiency observed at pH 9.0 for ammonia system is due to formation of nano-sized particles, which are readily to pass through 0.45μm filter used for sample pretreatment before copper analysis. Instead of producing metallic copper, cuprous and copper oxide are identified in the samples collected from ammonia system and EDTA system, respectively. Re-oxidation of metallic copper particles by atmospheric oxygen during sample handling or incomplete reduction of Cu(II) ions during reduction process might be the cause. Finally, reduction process was applied to treat real wastewater, achieving complete removal of copper but only 10% of nickel.

  12. Quantum chaos in the nuclear collective model. II. Peres lattices.

    PubMed

    Stránský, Pavel; Hruska, Petr; Cejnar, Pavel

    2009-06-01

    This is a continuation of our paper [Phys. Rev. E 79, 046202 (2009)] devoted to signatures of quantum chaos in the geometric collective model of atomic nuclei. We apply the method by Peres to study ordered and disordered patterns in quantum spectra drawn as lattices in the plane of energy vs average of a chosen observable. Good qualitative agreement with standard measures of chaos is manifested. The method provides an efficient tool for studying structural changes in eigenstates across quantum spectra of general systems.

  13. The holothuroids, echinoids and asteroids (echinodermata) collected by the Snellius-II expedition

    NASA Astrophysics Data System (ADS)

    Jangoux, Michel; De Ridder, Chantal; Massin, Claude; Darsono, Prapto

    Together the holothuroids, echinoids and asteroids collected by the Snellius-II Expedition represent 144 different species (40 species of holothuroids, 45 species of echinoids and 59 species of asteroids). The collection includes 14 species new to science. Among the remaining 130 species there are five new records for the Austro-Malayan region and 13 new records for the Indonesian seas.

  14. Retrospective analysis of an archived soil collection. II. Cadmium.

    PubMed

    Jones, K C; Symon, C J; Johnston, A E

    1987-11-01

    Soil samples collected and stored since the mid-1800s to the present day have been analysed recently for Cd. The samples from long-term experiments under permanent grassland or arable crops at Rothamsted Experimental Station (U.K.) were selected to investigate time trends in elemental composition, due either solely to atmospheric deposition or to a combination of atmospheric deposition and various soil treatments. Increases in soil Cd of 27-55% since the 1850s due to atmospheric deposition were observed. This corresponds to an increase in the soil plough layer Cd concentration of between 0.7 and 1.9 micrograms kg-1 year-1 and is equivalent to an increase of 1.9-5.4 g Cd ha-1 year-1. The changes in soil Cd concentrations since 1846 at one control site corresponded well to predicted increases in the plough layer Cd burden based on assumptions about the temporal trends in atmospheric Cd emissions. In addition, sub-samples of a selection of rock phosphates of known origin and superphosphates, mainly from one supplier, collected and stored in the archive from 1925 onwards were also analysed for Cd. The concentrations ranged from 3.6 to 92 (mean 36) mg Cd kg-1 for rock phosphates and from 3.3 to 40 (9.7) mg kg-1 for superphosphates. On the basis of these data and known application rates the estimated input of Cd to P-treated plots at Rothamsted was 2 g ha-1 year-1, but there was little further increase in soil Cd due to this addition in three long-term arable experiments where soil pH was greater than 6.5. On P-treated plots the mean increase in soil Cd was 1.2 micrograms kg-1 year-1, which is equivalent to an increase in the plough layer burden of 3.1 g Cd ha-1 year-1. By contrast, P-treated soils under permanent grassland with a higher organic matter content and lower pH have increased their Cd content by 7.2 g ha-1 year-1. When permanent grassland soils ranging in pH from 5 to 7 were examined it was found that organic matter had a larger effect on Cd concentration

  15. Sustainability Indicators for Chemical Processes : II. Data Needs

    EPA Science Inventory

    In order to begin repair of the environmental quality of the planet, there is a need to embrace sustainable development at many levels of the chemical industry and society. One way that the chemical industry is responding to this need is through sustainability evaluations, retrof...

  16. 76 FR 40377 - Agency Information Collection Activities; Proposed Collection; Comment Request; Class II Special...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-08

    ... HUMAN SERVICES Food and Drug Administration Agency Information Collection Activities; Proposed... Condoms AGENCY: Food and Drug Administration, HHS. ACTION: Notice. SUMMARY: The Food and Drug... information to the Division of Dockets Management (HFA- 305), Food and Drug Administration, 5630 Fishers...

  17. Biological monitoring of occupational exposure to toxic chemicals. Collection, processing, and storage of specimens

    SciTech Connect

    Aitio, A.; Jaervisalo, J.

    1985-03-01

    Exposure to at least 100 different chemicals may be estimated on an individual basis from their concentrations in blood or urine. The present document reviews sources of error in the collection, processing and storage of specimens for this biological monitoring. Physiological factors cause variation in the concentration of chemicals in the body fluids. Distribution of water depends on posture. Exercise and meals cause changes in blood constituents. The urine output varies and, thus, the concentrations of dissolved chemicals change. Many toxic chemicals show short half times in the blood; thus, their concentrations depend on the timing of the specimen collection. Skin absorption may result in dramatically different chemical concentrations in different parts of the circulation. The stability of chemicals in the collected specimens is generally limited: chemical deterioration, adsorption, precipitation, and evaporation are the main causes of losses. For many chemicals, especially for trace elements, contamination of the specimen is the overwhelmingly most important source of error. As the range of the chemicals measured is wide, the relative importance of the sources of error is different for different chemicals. Information on most chemicals is at present very limited. Thus, before commencing a program on biological exposure monitoring, it is advisable to search the optimal conditions for specimen collection, processing, and storage.

  18. Chemical and Biological Barrier Materials for Collective Protection

    DTIC Science & Technology

    2003-11-19

    Directorate ColPro Shelters *Heavy *Cumbersome *High Logistic Burden *Very Expensive Barrier Materials * Butyl Rubbers *Chlorinated Aliphatics *Fluorinated...Natick Soldier Center Slide 17 • RDECOM Collective Protection Directorate NANOCOMPOSITE FILMS Background ! Novel patented nanotechnology is based on the...Material -Thickness -Inertness -Condition SEVERAL COMPONENTS # Base Material or Substrate *Provides Physical Properties #Impermeable Barrier **Provides CB

  19. Chemical modification of chitin with polypyrrole for the uptake of Pb(II) and Cd(II) ions.

    PubMed

    Karthik, Rathinam; Meenakshi, Sankaran

    2015-01-01

    This study described the possibility of using chemically modified chitin with polypyrrole (PPy-g-Ch) as an adsorbent for the removal of Pb(II) and Cd(II) ions from aqueous solution. The PPy-g-Ch was characterized using FTIR, SEM, EDX, XRD, TGA and DSC techniques. The influence of various parameters such as pH, dosage, co-ions, contact time and concentration on the removal of Pb(II) and Cd(II) ions was investigated. Among the various isotherm models studied, the Freundlich isotherm model fitted well to the equilibrium data. The magnitude of ΔG(0), ΔH(0) and ΔS(0) indicated the feasibility, spontaneity and the endothermic nature of the adsorption process, respectively. The kinetic process followed the pseudo-second-order kinetic model. The applicability of the PPy-g-Ch has been tested for the removal of Pb(II) and Cd(II) ions from a real water sample spiked with Pb(II) and Cd(II) ions.

  20. Responses of photosystems I and II of Acutodesmus obliquus to chemical stress caused by the use of recycled nutrients.

    PubMed

    Patzelt, Dominik J; Hindersin, Stefan; Kerner, Martin; Hanelt, Dieter

    2016-01-01

    Nutrients derived from hydrothermal gasification of Acutodesmus obliquus were tested on its biological compatibility to support growth of the same microalgae. Photosynthetic parameters of photosystems I and II (PS I and PS II) were investigated to study physiological effects on the microalgal cell. The nutrients were collected as liquid residues. Dilutions of 1:500 showed no effect on both photosystems. Lower dilutions affected PS II initially and later also PS I. Cyclic electron flow around PS I compensated for loss of electrons due to partially inhibited PS II. The highest tested concentration of liquid residue erased any photosynthetic activity of PS II after 28 min and onwards. In contrast, PS I remained active. The results suggest that PS I is less susceptible than PS II and that the mixture of chemicals in the liquid residue did not directly affect PS I but PS II. The toxicants in the residues seemed to interfere with linear electron flow of PS II even though light-driven formation of radicals and subsequent damage to one of the photosystems can be excluded as demonstrated in darkness. Lowered photosynthetic activity of PS I during actinic irradiation was caused due to lack of supply of electrons from PS II. The cyclic electron flow might play a key role in delivering the energy needed to restore PS II activity and to biodegrade the toxicants when linear electron flow failed. These negative effects of liquid residue towards microalgal cells require a remediation step for direct application of the liquid residue to substitute commercial fertilizers in microalgal mass cultures.

  1. 76 FR 7841 - Agency Information Collection Activities; Proposed Collections; Toxic Chemical Release Reporting...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-11

    ... Ratio-Based Burden Methodology AGENCY: Environmental Protection Agency. ACTION: Notice. SUMMARY: In... to Ratio-Based Methodology,'' describes the nature of the information collection (including proposed... Burden Methodology; 3. Enhance the quality, utility, and clarity of the information to be collected;...

  2. Thermodynamics of natural selection II: Chemical Carnot cycles.

    PubMed

    Smith, Eric

    2008-05-21

    This is the second in a series of three papers devoted to energy flow and entropy changes in chemical and biological processes, and to their relations to the thermodynamics of computation. In the first paper of the series, it was shown that a general-form dimensional argument from the second law of thermodynamics captures a number of scaling relations governing growth and development across many domains of life. It was also argued that models of physiology based on reversible transformations provide sensible approximations within which the second-law scaling is realized. This paper provides a formal basis for decomposing general cyclic, fixed-temperature chemical reactions, in terms of the chemical equivalent of Carnot's cycle for heat engines. It is shown that the second law relates the minimal chemical work required to perform a cycle to the Kullback-Leibler divergence produced in its chemical output ensemble from that of a Gibbs equilibrium. Reversible models of physiology are used to create reversible models of natural selection, which relate metabolic energy requirements to information gain under optimal conditions. When dissipation is added to models of selection, the second-law constraint is generalized to a relation between metabolic work and the combined energies of growth and maintenance.

  3. High Throughput Pharmacokinetics for Environmental Chemicals (FutureToxII)

    EPA Science Inventory

    Pharmacokinetic (PK) models are critical to determine whether chemical exposures produce potentially hazardous tissue concentrations. For bioactivity identified in vitro (e.g. ToxCast) – hazardous or not – PK models can forecast exposure thresholds, below which no significant bio...

  4. Chemical Posttranslational Modification with Designed Rhodium(II) Catalysts.

    PubMed

    Martin, S C; Minus, M B; Ball, Z T

    2016-01-01

    Natural enzymes use molecular recognition to perform exquisitely selective transformations on nucleic acids, proteins, and natural products. Rhodium(II) catalysts mimic this selectivity, using molecular recognition to allow selective modification of proteins with a variety of functionalized diazo reagents. The rhodium catalysts and the diazo reactivity have been successfully applied to a variety of protein folds, the chemistry succeeds in complex environments such as cell lysate, and a simple protein blot method accurately assesses modification efficiency. The studies with rhodium catalysts provide a new tool to study and probe protein-binding events, as well as a new synthetic approach to protein conjugates for medical, biochemical, or materials applications.

  5. 75 FR 68370 - Agency Information Collection Activities: Office of Infrastructure Protection; Chemical Security...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-05

    ... Infrastructure Protection; Chemical Security Awareness Training Program AGENCY: National Protection and Programs... currently approved information collection request (ICR) for the Chemical Security Awareness Training Program. DHS previously published this ICR in the Federal Register on August 27, 2010 at 75 FR 52768, for a...

  6. Collection, chemical analysis, and evaluation of coal samples in 1975

    USGS Publications Warehouse

    Swanson, Vernon Emanuel; Medlin, J.H.; Hatch, J.R.; Coleman, S.L.; Wood, G.H.; Woodruff, S.D.; Hildebrand, R.T.

    1976-01-01

    During 1975, the U.S. Geological Survey, in cooperation with other Federal and State agencies, university groups, and private companies, continued its program to augment and refine information on the composition of coal in the United States. This report includes all analytical data on 799 channel samples of coal beds from major operating mines and core holes in 28 States, collected mainly by State Geological Surveys under a cooperative program funded largely by the U.S. Energy Research and Development Administration. For each sample, the U.S. Geological Survey has quantitatively determined the amounts of 24 major, minor, and trace elements (including AI, As, Cd, Cu, F, Hg, Mn, Na, Pb, Se, U, and Zn), and has semiquantitatively determined the concentrations of 15 to 20 additional trace elements (including B, Be, Cr, Ge, Mo, Ni, and V). In addition, the U.S. Bureau of Mines has provided proximate and ultimate analyses, and Btu and forms-of-sulfur determinations on 488 of the samples. Statistical summaries of the data are given for all coal samples in the United States, for coal divided by rank (53 anthracite, 509 bituminous coal, 183 subbituminous coal, and 54 lignite samples), and the arithmetic means, ranges, and geometric means and deviations are given for the coal in each of seven different major coal areas in the United States. For example, the average coal in the United States contains 11.3 percent ash, 10.0 percent moisture, 2.0 percent sulfur, and has 11,180 Btu per pound; of the 10 major oxides determined on the 525?C ash, the average SiO2 content is 38 percent, Al2O3 20 percent, and Na2O 0.67 percent; the average Cd content is 7.3 ppm, Pb 114 ppm, and Zn 151 ppm (range 1 ppm to 6.0 percent). As determined on the raw coal, the average Hg content is 0.18 ppm (range <0.01 to 63.0 ppm), the Se content 4.1 ppm (range <0.1 to 150 ppm), and the U content 1.8 ppm (range <0.2 to 42.9 ppm).

  7. Angiotensin I conversion to angiotensin II stimulates cortical collecting duct sodium transport.

    PubMed

    Komlosi, Peter; Fuson, Amanda L; Fintha, Attila; Peti-Peterdi, János; Rosivall, Laszlo; Warnock, David G; Bell, Phillip Darwin

    2003-08-01

    Angiotensin (Ang) II directly stimulates epithelial sodium channel activity in the rabbit cortical collecting duct. Because Ang I and converting enzyme analogues might be present in the distal nephron, this raises the possibility of intraluminal generation of Ang II. Conversion of Ang I to Ang II was monitored by Ang II-dependent changes in intracellular sodium concentration as a reflection of sodium transport across the apical membrane. This involved imaging-based fluorescence microscopy with sodium-binding benzofuran isophthalate in isolated, perfused, cortical collecting-duct segments from rabbit kidney. Principal and intercalated cells were differentiated by rhodamine-conjugated peanut lectin. Control principal cell intracellular sodium concentration, during perfusion with 25 mmol/L NaCl and zero sodium in the bath plus monensin (10(-5) mol/L) averaged 5.8+/-0.14 mmol/L (n=156). The increase in intracellular sodium concentration, when luminal NaCl was increased from 25 to 150 mmol/L, was elevated by 3.5-fold in the presence of intraluminal Ang I (10(-6) mol/L). Also, the effects of Ang I on sodium transport were not significantly different from the effects of Ang II (10(-9) mol/L). Ang I was used in micromolar concentrations to ensure that there was sufficient substrate available for conversion to Ang II. Inhibition of the angiotensin-converting enzyme with captopril reduced the stimulatory effect of Ang I. These results suggest that intraluminal conversion of Ang I to Ang II can occur in the cortical collecting duct, resulting in enhanced apical sodium entry.

  8. Chemical composition of semi-regular variable giants. II.

    NASA Astrophysics Data System (ADS)

    Britavskiy, N. E.; Andrievsky, S. M.; Korotin, S. A.; Martin, P.

    2010-09-01

    Aims: The aim of this work was to derive the elemental abundances in four stars classified as semiregular variables of the type “d” (SRd). These stars should presumably belong to the Galactic halo population. Methods: Elemental abundances have been derived from both local thermodynamical equilibrium (LTE) and non-local thermodynamical equilibrium (NLTE) analyses, applied to high-resolution (R ≅ 80 000) spectra obtained with the CFHT ESPaDOnS spectrograph. Results: We have derived the abundances of 29 chemical elements in V463 Her, V894 Her, CW CVn, and MS Hya, and arrived at the following conclusions. Conclusions: The stars of our programme have a chemical composition that does not agree with their presumable status as metal-deficient halo giants. All studied SRd giants have relative-to-solar elemental abundances typical of the thick/thin Galactic disc stars. Based on observations obtained at the Canada-France-Hawaii Telescope (CFHT), which is operated by the National Research Council of Canada, the Institut National des Sciences de l'Univers of the Centre National de la Recherche Scientifique of France, and the University of Hawaii.

  9. Relative abundance of chemical forms of Cu(II) and Cd(II) on soybean roots as influenced by pH, cations and organic acids

    PubMed Central

    Zhou, Qin; Liu, Zhao-dong; Liu, Yuan; Jiang, Jun; Xu, Ren-kou

    2016-01-01

    Little information is available on chemical forms of heavy metals on integrate plant roots. KNO3 (1 M), 0.05M EDTA at pH6 and 0.01 M HCl were used sequentially to extract the exchangeable, complexed and precipitated forms of Cu(II) and Cd(II) from soybean roots and then to investigate chemical form distribution of Cu(II) and Cd(II) on soybean roots. Cu(II) and Cd(II) adsorbed on soybean roots were mainly exchangeable form, followed by complexed form, while their precipitated forms were very low under acidic conditions. Soybean roots had a higher adsorption affinity to Cu(II) than Cd(II), leading to higher toxic of Cu(II) than Cd(II). An increase in solution pH increased negative charge on soybean and thus increased exchangeable Cu(II) and Cd(II) on the roots. Ca2+, Mg2+ and NH4+ reduced exchangeable Cu(II) and Cd(II) levels on soybean roots and these cations showed greater effects on Cd(II) than Cu(II) due to greater adsorption affinity of the roots to Cu(II) than Cd(II). L-malic and citric acids decreased exchangeable and complexed Cu(II) on soybean roots. In conclusion, Cu(II) and Cd(II) mainly existed as exchangeable and complexed forms on soybean roots. Ca2+ and Mg2+ cations and citric and L-malic acids can potentially alleviate Cu(II) and Cd(II) toxicity to plants. PMID:27805020

  10. Relative abundance of chemical forms of Cu(II) and Cd(II) on soybean roots as influenced by pH, cations and organic acids

    NASA Astrophysics Data System (ADS)

    Zhou, Qin; Liu, Zhao-Dong; Liu, Yuan; Jiang, Jun; Xu, Ren-Kou

    2016-11-01

    Little information is available on chemical forms of heavy metals on integrate plant roots. KNO3 (1 M), 0.05M EDTA at pH6 and 0.01 M HCl were used sequentially to extract the exchangeable, complexed and precipitated forms of Cu(II) and Cd(II) from soybean roots and then to investigate chemical form distribution of Cu(II) and Cd(II) on soybean roots. Cu(II) and Cd(II) adsorbed on soybean roots were mainly exchangeable form, followed by complexed form, while their precipitated forms were very low under acidic conditions. Soybean roots had a higher adsorption affinity to Cu(II) than Cd(II), leading to higher toxic of Cu(II) than Cd(II). An increase in solution pH increased negative charge on soybean and thus increased exchangeable Cu(II) and Cd(II) on the roots. Ca2+, Mg2+ and NH4+ reduced exchangeable Cu(II) and Cd(II) levels on soybean roots and these cations showed greater effects on Cd(II) than Cu(II) due to greater adsorption affinity of the roots to Cu(II) than Cd(II). L-malic and citric acids decreased exchangeable and complexed Cu(II) on soybean roots. In conclusion, Cu(II) and Cd(II) mainly existed as exchangeable and complexed forms on soybean roots. Ca2+ and Mg2+ cations and citric and L-malic acids can potentially alleviate Cu(II) and Cd(II) toxicity to plants.

  11. Chemical vapor deposition of low reflective cobalt (II) oxide films

    NASA Astrophysics Data System (ADS)

    Amin-Chalhoub, Eliane; Duguet, Thomas; Samélor, Diane; Debieu, Olivier; Ungureanu, Elisabeta; Vahlas, Constantin

    2016-01-01

    Low reflective CoO coatings are processed by chemical vapor deposition from Co2(CO)8 at temperatures between 120 °C and 190 °C without additional oxygen source. The optical reflectivity in the visible and near infrared regions stems from 2 to 35% depending on deposition temperature. The combination of specific microstructural features of the coatings, namely a fractal ⿿cauliflower⿿ morphology and a grain size distribution more or less covering the near UV and IR wavelength ranges enhance light scattering and gives rise to a low reflectivity. In addition, the columnar morphology results in a density gradient in the vertical direction that we interpret as a refractive index gradient lowering reflectivity further down. The coating formed at 180 °C shows the lowest average reflectivity (2.9%), and presents an interesting deep black diffuse aspect.

  12. Chemical abundances in LMC stellar populations. II. The bar sample

    NASA Astrophysics Data System (ADS)

    Van der Swaelmen, M.; Hill, V.; Primas, F.; Cole, A. A.

    2013-12-01

    Aims: This paper compares the chemical evolution of the Large Magellanic Cloud (LMC) to that of the Milky Way (MW) and investigates the relation between the bar and the inner disc of the LMC in the context of the formation of the bar. Methods: We obtained high-resolution and mid signal-to-noise ratio spectra with FLAMES/GIRAFFE at ESO/VLT and performed a detailed chemical analysis of 106 and 58 LMC field red giant stars (mostly older than 1 Gyr), located in the bar and the disc of the LMC respectively. To validate our stellar parameter determinations and abundance measurement procedures, we performed thorough tests using the well-known mildly metal-poor Milky-Way thick disc giant Arcturus (HD 124897, α Boo). We measured elemental abundances for O, Mg, Si, Ca, Ti (α-elements), Na (light odd element), Sc, V, Cr, Co, Ni, Cu (iron-peak elements), Y, Zr, Ba, La, and Eu (s- and r-elements). Results: We find that the α-element ratios [Mg/Fe] and [O/Fe] are lower in the LMC than in the MW while the LMC has similar [Si/Fe], [Ca/Fe], and [Ti/Fe] to the MW. As for the heavy elements, [Ba,La/Eu] exhibit a strong increase with increasing metallicity starting from [Fe/H] ≈ -0.8 dex, and the LMC has lower [Y + Zr/Ba + La] ratios than the MW. Cu is almost constant over all metallicities and about 0.5 dex lower in the LMC than in the MW. The LMC bar and inner disc exhibit differences in their [α/ Fe] (slightly larger scatter for the bar in the metallicity range [-1, -0.5]), their Eu (the bar trend is above the disc trend for [Fe/H] ≥ -0.5 dex), their Y and Zr, their Na and their V (offset between the bar and the disc distributions). Conclusions: Our results show that the chemical history of the LMC experienced a strong contribution from type Ia supernovae as well as a strong s-process enrichment from metal-poor AGB winds. Massive stars made a smaller contribution to the chemical enrichment compared to the MW. The observed differences between the bar and the disc speak in

  13. A structurally diverse Ru(II),Pt(II) tetrametallic motif for photoinitiated electron collection and photocatalytic hydrogen production.

    PubMed

    Knoll, Jessica D; Arachchige, Shamindri M; Brewer, Karen J

    2011-02-18

    Coupling a reactive metal to light absorbers affords molecular devices for photoinitiated electron collection and photocatalytic conversion of substrates to fuels. A new Ru(II),Pt(II) tetrametallic supramolecule, [{(phen)(2)Ru(dpp)}(2)Ru(dpq)PtCl(2)](PF(6))(6), and the trimetallic precursors, [{(phen)(2)Ru(dpp)}(2)RuCl(2)](PF(6))(4) and [{(phen)(2)Ru(dpp)}(2)Ru(dpq)](PF(6))(6), have been synthesized, and their redox, spectroscopic, spectroelectrochemical, photophysical and photocatalytic properties studied. They efficiently absorb UV and visible light. The electrochemistry of [{(phen)(2)Ru(dpp)}(2)Ru(dpq)PtCl(2)](PF(6))(6) suggests a lowest-lying terminal Ru→dpq charge-separated state that quenches the emission of the parent complex with non-unity population of the emissive (3)MLCT excited state. Photolysis of [{(phen)(2)Ru(dpp)}(2)Ru(dpq)PtCl(2)](6+) at 470 nm with DMA gives multielectron reduction, storing electrons in a new manner on the central (dpp)(2)Ru(II)(dpq) moiety. Addition of H(2)O to the photolysis system produces 21 μmol of H(2) in 5 h, with 115 turnovers of the tetrametallic photocatalyst.

  14. Chemical synthesis of lactic acid from cellulose catalysed by lead(II) ions in water.

    PubMed

    Wang, Yanliang; Deng, Weiping; Wang, Binju; Zhang, Qinghong; Wan, Xiaoyue; Tang, Zhenchen; Wang, Ye; Zhu, Chun; Cao, Zexing; Wang, Guichang; Wan, Huilin

    2013-01-01

    The direct transformation of cellulose, which is the main component of lignocellulosic biomass, into building-block chemicals is the key to establishing biomass-based sustainable chemical processes. Only limited successes have been achieved for such transformations under mild conditions. Here we report the simple and efficient chemocatalytic conversion of cellulose in water in the presence of dilute lead(II) ions, into lactic acid, which is a high-value chemical used for the production of fine chemicals and biodegradable plastics. The lactic acid yield from microcrystalline cellulose and several lignocellulose-based raw biomasses is >60% at 463 K. Both theoretical and experimental studies suggest that lead(II) in combination with water catalyses a series of cascading steps for lactic acid formation, including the isomerization of glucose formed via the hydrolysis of cellulose into fructose, the selective cleavage of the C3-C4 bond of fructose to trioses and the selective conversion of trioses into lactic acid.

  15. 78 FR 74173 - Notice of Proposed Information Collection Requests: Heritage Health Index II on the State of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-10

    ... ARTS AND THE HUMANITIES Notice of Proposed Information Collection Requests: Heritage Health Index II on... Foundation for the Arts and the Humanities. ACTION: Notice, request for comments, collection of information... of digital conservation. The design of the HHI II will be a repeated cross- sectional web survey of...

  16. Synthesis, characterization and quantum chemical ab initio calculations of new dimeric aminocyclodiphosph(V)azane and its Co(II), Ni(II) and Cu(II) complexes.

    PubMed

    Alaghaz, Abdel-Nasser M A; Al-Sehemi, Abdullah G; El-Gogary, Tarek M

    2012-09-01

    The complexes of type [M(2)LCl(2)] in which M=Co(II), Ni(II) and Cu(II) ions and L are 1,3-o-pyridyl-2,4-dioxo-2',4'-bis(3-benzo[d]thiazol-2-yl-2-iminothiophene) cyclodiphosph(V)azane, were prepared and their structures were characterized by different physical techniques (IR, UV-Vis, (1)H NMR, (31)P NMR, mass, TGA, DTA, XRD, SEM, magnetic moment and electrical conductance measurements). Ab initio calculations at the level of DFT B3LYP/6-31G(d) were utilized to find the optimum geometry of the ligand. Spectral characterization of the ligand was simulated using DT-DFT method. Infrared spectra of the complexes indicate deprotonation and coordination of the imine NH. It also confirms that nitrogen atoms of the pyridine group and thiazole group contribute to the complexation. NBO natural charges were computed and discussed in the light of coordination centers. Electronic spectra and magnetic susceptibility measurements as well as quantum chemical calculations reveal square planar geometry for Cu(II) and Ni(II) complexes and tetrahedral geometry for Co(II) complex. The elemental analyses and mass spectral data have justified the M(2)LCl(2) composition of complexes.

  17. Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics

    SciTech Connect

    Kee, R.J.; Rupley, F.M.; Miller, J.A.

    1989-09-01

    This document is the user's manual for the second-generation Chemkin package. Chemkin is a software package for whose purpose is to facilitate the formation, solution, and interpretation of problems involving elementary gas-phase chemical kinetics. It provides an especially flexible and powerful tool for incorporating complex chemical kinetics into simulations of fluid dynamics. The package consists of two major software components: an Interpreter and Gas-Phase Subroutine Library. The Interpreter is a program that reads a symbolic description of an elementary, user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Gas-Phase Subroutine Library. This library is a collection of about 100 highly modular Fortran subroutines that may be called to return information on equation of state, thermodynamic properties, and chemical production rates.

  18. Photochemical Formation of Hydroxyl Radical, Hydrogen Peroxide and Fe(II) in the Sea Surface Microlayer (SML) Collected in Okinawa, Japan

    NASA Astrophysics Data System (ADS)

    Higaonna, Y.; Tachibana, C.; Kasaba, T.; Ishikawa, R.; Arakaki, T.

    2014-12-01

    The sea surface microlayer (SML) covers upper 1 to 1000 μm deep boundary layer of the ocean, where important biogeochemical processes take place. Photo-chemical reactions are activated by sunlight, so it is assumed that more photo-chemical reactions occur in SML than underlying bulk seawater (bulk). We initiated a study to understand chemical changes occurring in the SML by studying photochemical formation of oxidants such as hydrogen peroxide and hydroxyl radical (OH), both of which react with various organic substances and determine their lifetimes. Since OH can be formed by reaction between hydrogen peroxide and Fe(II), Fe(II) photoformation was also studied. We collected SML samples using a widely-used glass plate method and bulk samples by using a polyethylene bottles near the coast of Okinawa Island, Japan. Results showed that dissolved organic carbon (DOC) concentrations in the SML were about twice those of bulk seawater samples. Hydrogen peroxide formation in the SML samples was ca. 2.8 times faster than the bulk seawater samples. On the other hand, Fe(II) and OH photoformation kinetics was similar for both SML and bulk samples. Although it was predicted that more OH could be formed from reaction between hydrogen peroxide and Fe(II), OH formation kinetics was similar in both SML and bulk, suggesting that either Fe(II) did not react with hydrogen peroxide or reaction is very slow, possibly by forming a complex with organic compounds in the SML and bulk.

  19. Biotechnology for producing fuels and chemicals from biomass. Volume II. Fermentation chemicals from biomass

    SciTech Connect

    Villet, R.

    1981-02-01

    The technological and economic feasibility of producing some selected chemicals by fermentation is discussed: acetone, butanol, acetic acid, citric acid, 2,3-butanediol, and propionic acid. The demand for acetone and butanol has grown considerably. They have not been produced fermentatively for three decades, but instead by the oxo and aldol processes. Improved cost of fermentative production will hinge on improving yields and using cellulosic feedstocks. The market for acetic acid is likely to grow 5% to 7%/yr. A potential process for production is the fermentation of hydrolyzed cellulosic material to ethanol followed by chemical conversion to acetic acid. For about 50 years fermentation has been the chief process for citric acid production. The feedstock cost is 15% to 20% of the overall cost of production. The anticipated 5%/yr growth in demand for citric acid could be enhanced by using it to displace phosphates in detergent manufacture. A number of useful chemicals can be derived from 2,3-butanediol, which has not been produced commercially on a large scale. R and D are needed to establish a viable commercial process. The commercial fermentative production of propionic acid has not yet been developed. Recovery and purification of the product require considerable improvement. Other chemicals such as lactic acid, isopropanol, maleic anhydride, fumarate, and glycerol merit evaluation for commercial fermentative production in the near future.

  20. A chemical confirmation of the faint Boötes II dwarf spheroidal galaxy

    SciTech Connect

    Koch, Andreas; Rich, R. Michael

    2014-10-10

    We present a chemical abundance study of the brightest confirmed member star of the ultra-faint dwarf galaxy Boötes II from Keck/HIRES high-resolution spectroscopy at moderate signal-to-noise ratios. At [Fe/H] = –2.93 ± 0.03(stat.) ± 0.17(sys.), this star chemically resembles metal-poor halo field stars and the signatures of other faint dwarf spheroidal galaxies at the same metallicities in that it shows enhanced [α/Fe] ratios, Solar Fe-peak element abundances, and low upper limits on the neutron-capture element Ba. Moreover, this star shows no chemical peculiarities in any of the eight elements we were able to measure. This implies that the chemical outliers found in other systems remain outliers pertaining to the unusual enrichment histories of the respective environments, while Boo II appears to have experienced an enrichment history typical of its very low mass. We also re-calibrated previous measurements of the galaxy's metallicity from the calcium triplet (CaT) and find a much lower value than reported before. The resulting broad metallicity spread, in excess of one dex, the very metal-poor mean, and the chemical abundance patterns of the present star imply that Boötes II is a low-mass, old, metal-poor dwarf galaxy and not an overdensity associated with the Sagittarius Stream as has been previously suggested based on its sky position and kinematics. The low, mean CaT metallicity of –2.7 dex falls right on the luminosity-metallicity relation delineated over four orders of magnitude from the more luminous to the faintest galaxies. Thus Boötes II's chemical enrichment appears representative of the galaxy's original mass, while tidal stripping and other mass loss mechanisms were probably not significant as for other low-mass satellites.

  1. Preliminary Problem Definition Study of 48 Munitions-Related Chemicals. Volume II. Propellant-Related Chemicals

    DTIC Science & Technology

    1978-04-01

    million lb/year. This production rate will increase as the dye and rubber market grows and as planned new diphenyl- a;nine production facilities become...this chemical are estimated at Ř million lb/year. In the civilian market , lead salicylate is used as a stabilizer in flooring and other vinyl compounds...these four reports. In addition a general methodology report was also prepared. This report describes the search strategy and evaluation methodology

  2. Contributions of type II and Ib/c supernovae to Galactic chemical evolution

    NASA Astrophysics Data System (ADS)

    Sahijpal, Sandeep

    2014-06-01

    Type II and Ib/c supernovae (SNe II and Ib/c) have made major stellar nucleosynthetic contributions to the inventories of stable nuclides during chemical evolution of the Galaxy. A case study is performed here with the help of recently developed numerical simulations of Galactic chemical evolution in the solar neighborhood to understand the contributions of SNe II and Ib/c by comparing the stellar nucleosynthetic yields obtained by two leading groups in this field. These stellar nucleosynthetic yields differ in terms of their treatment of stellar evolution and nucleosynthesis. The formulation describing Galactic chemical evolution is developed with the recently revised solar metallicity of ~0.014. Furthermore, the recent nucleosynthetic yields of stellar models based on the revised solar metallicity are also used. The analysis suggests that it could be difficult to explain, in a self-consistent manner, the various features associated with the elemental evolutionary trends over Galactic timescales by any single adopted stellar nucleosynthetic model that incorporates SNe II and Ib/c.

  3. Chemical Rescue of Enzymes: Proton Transfer in Mutants of Human Carbonic Anhydrase II

    PubMed Central

    Maupin, C. Mark; Castillo, Norberto; Taraphder, Srabani; Tu, Chingkuang; McKenna, Robert; Silverman, David N.; Voth, Gregory A.

    2011-01-01

    In human carbonic anhydrase II (HCA II) the mutation of position 64 from histidine to alanine (H64A) disrupts the rate limiting proton transfer (PT) event, resulting in a reduction of the catalytic activity of the enzyme as compared to the wild-type. Potential of mean force (PMF) calculations utilizing the multistate empirical valence bond (MS-EVB) methodology for H64A HCA II give a PT free energy barrier significantly higher than that found in the wild-type enzyme. This high barrier, determined in the absence of exogenous buffer and assuming no additional ionizable residues in the PT pathway, indicates the likelihood of alternate enzyme pathways that utilize either ionizable enzyme residues (self-rescue) and/or exogenous buffers (chemical rescue). It has been shown experimentally that the catalytic activity of H64A HCA II can be chemically rescued to near wild type levels by the addition of the exogenous buffer 4-methylimidazole (4MI). Crystallographic studies have identified two 4MI binding sites, yet site specific mutations intended to disrupt 4MI binding have demonstrated these sites to be non-productive. In the present work MS-EVB simulations show that binding of 4MI near Thr199 in the H64A HCA II mutant, a binding site determined by NMR spectroscopy, results in a viable chemical rescue pathway. Additional viable rescue pathways are also identified where 4MI acts as a proton transport intermediary from the active site to ionizable residues on the rim of the active site, revealing a probable mode of action for the chemical rescue pathway PMID:21452838

  4. Sorption of nickel (II) from aqueous system by chemically modified pungan (pongamia pinnata) seedpod carbon

    NASA Astrophysics Data System (ADS)

    Senthil, M.; Arulanantham, A.

    2013-06-01

    The adsorption of Ni (II) on chemically modified bicarbonate impregnated sulphuric acid treated pungan (pongamia pinnata) seedpod carbon (BSPAC) was investigated as a function of equilibrium time, solution pH and carbon dosage. The adsorption of nickel (II) was also studied by using Freundlich, Langmuir and Temkin isotherm models. Kinetic studies were conducted using reversible-first-order, pseudo-first-order and pseudo-second-order kinetic equations. The results obtained were compared with commercially available activated carbon (CAC) of same 20-50 ASTM mesh size.

  5. EXPERIMENTAL EVALUATION OF CHEMICAL SEQUESTRATION OF CARBON DIOXIDE IN DEEP AQUIFER MEDIA - PHASE II

    SciTech Connect

    Neeraj Gupta; Bruce Sass; Jennifer Ickes

    2000-11-28

    In 1998 Battelle was selected by the U.S. Department of Energy's (DOE) National Energy Technology Laboratory (NETL) under a Novel Concepts project grant to continue Phase II research on the feasibility of carbon dioxide (CO{sub 2}) sequestration in deep saline formations. The focus of this investigation is to conduct detailed laboratory experiments to examine factors that may affect chemical sequestration of CO{sub 2} in deep saline formations. Reactions between sandstone and other geologic media from potential host reservoirs, brine solutions, and CO{sub 2} are being investigated under high-pressure conditions. Some experiments also include sulfur dioxide (SO{sub 2}) gases to evaluate the potential for co-injection of CO{sub 2} and SO{sub 2} related gases in the deep formations. In addition, an assessment of engineering and economic aspects is being conducted. This current Technical Progress Report describes the status of the project as of September 2000. The major activities undertaken during the quarter included several experiments conducted to investigate the effects of pressure, temperature, time, and brine composition on rock samples from potential host reservoirs. Samples (both powder and slab) were taken from the Mt. Simon Sandstone, a potential CO{sub 2} host formation in the Ohio, the Eau Claire Shale, and Rome Dolomite samples that form the caprock for Mt. Simon Sandstone. Also, a sample with high calcium plagioclase content from Frio Formation in Texas was used. In addition, mineral samples for relatively pure Anorthite and glauconite were experimented on with and without the presence of additional clay minerals such as kaolinite and montmorillonite. The experiments were run for one to two months at pressures similar to deep reservoirs and temperatures set at 50 C or 150 C. Several enhancements were made to the experimental equipment to allow for mixing of reactants and to improve sample collection methods. The resulting fluids (gases and liquids) as

  6. Mobile DIORAMA-II: infrastructure less information collection system for mass casualty incidents.

    PubMed

    Ganz, Aura; Schafer, James M; Yang, Zhuorui; Yi, Jun; Lord, Graydon; Ciottone, Gregory

    2014-01-01

    In this paper we introduce DIORAMA-II system that provides real time information collection in mass casualty incidents. Using a mobile platform that includes active RFID tags and readers as well as Smartphones, the system can determine the location of victims and responders. The system provides user friendly multi dimensional user interfaces as well as collaboration tools between the responders and the incident commander. We conducted two simulated mass casualty incidents with 50 victims each and professional responders. DIORAMA-II significantly reduces the evacuation time by up to 43% when compared to paper based triage systems. All responders that participated in all trials were very satisfied. They felt in control of the incident and mentioned that the system significantly reduced their stress level during the incident. They all mentioned that they would use the system in an actual incident.

  7. Substrate stiffness regulates cadherin-dependent collective migration through myosin-II contractility

    PubMed Central

    Ng, Mei Rosa; Besser, Achim

    2012-01-01

    The mechanical microenvironment is known to influence single-cell migration; however, the extent to which mechanical cues affect collective migration of adherent cells is not well understood. We measured the effects of varying substrate compliance on individual cell migratory properties in an epithelial wound-healing assay. Increasing substrate stiffness increased collective cell migration speed, persistence, and directionality as well as the coordination of cell movements. Dynamic analysis revealed that wounding initiated a wave of motion coordination from the wound edge into the sheet. This was accompanied by a front-to-back gradient of myosin-II activation and establishment of cell polarity. The propagation was faster and farther reaching on stiff substrates, indicating that substrate stiffness affects the transmission of directional cues. Manipulation of myosin-II activity and cadherin–catenin complexes revealed that this transmission is mediated by coupling of contractile forces between neighboring cells. Thus, our findings suggest that the mechanical environment integrates in a feedback with cell contractility and cell–cell adhesion to regulate collective migration. PMID:23091067

  8. Chemical-garden formation, morphology, and composition. II. Chemical gardens in microgravity.

    PubMed

    Cartwright, Julyan H E; Escribano, Bruno; Sainz-Díaz, C Ignacio; Stodieck, Louis S

    2011-04-05

    We studied the growth of metal-ion silicate chemical gardens under Earth gravity (1 g) and microgravity (μg) conditions. Identical sets of reaction chambers from an automated system (the Silicate Garden Habitat or SGHab) were used in both cases. The μg experiment was performed on board the International Space Station (ISS) within a temperature-controlled setup that provided still and video images of the experiment downlinked to the ground. Calcium chloride, manganese chloride, cobalt chloride, and nickel sulfate were used as seed salts in sodium silicate solutions of several concentrations. The formation and growth of osmotic envelopes and microtubes was much slower under μg conditions. In 1 g, buoyancy forces caused tubes to grow upward, whereas a random orientation for tube growth was found under μg conditions.

  9. Continuous-flow centrifugation to collect suspended sediment for chemical analysis

    USGS Publications Warehouse

    Conn, Kathleen E.; Dinicola, Richard S.; Black, Robert W.; Cox, Stephen E.; Sheibley, Richard W.; Foreman, James R.; Senter, Craig A.; Peterson, Norman T.

    2016-12-22

    Recent advances in suspended-sediment monitoring tools and surrogate technologies have greatly improved the ability to quantify suspended-sediment concentrations and to estimate daily, seasonal, and annual suspended-sediment fluxes from rivers to coastal waters. However, little is known about the chemical composition of suspended sediment, and how it may vary spatially between water bodies and temporally within a single system owing to climate, seasonality, land use, and other natural and anthropogenic drivers. Many water-quality contaminants, such as organic and inorganic chemicals, nutrients, and pathogens, preferentially partition in sediment rather than water. Suspended sediment-bound chemical concentrations may be undetected during analysis of unfiltered water samples, owing to small water sample volumes and analytical limitations. Quantification of suspended sediment‑bound chemical concentrations is needed to improve estimates of total chemical concentrations, chemical fluxes, and exposure levels of aquatic organisms and humans in receiving environments. Despite these needs, few studies or monitoring programs measure the chemical composition of suspended sediment, largely owing to the difficulty in consistently obtaining samples of sufficient quality and quantity for laboratory analysis.A field protocol is described here utilizing continuous‑flow centrifugation for the collection of suspended sediment for chemical analysis. The centrifuge used for development of this method is small, lightweight, and portable for the field applications described in this protocol. Project scoping considerations, deployment of equipment and system layout options, and results from various field and laboratory quality control experiments are described. The testing confirmed the applicability of the protocol for the determination of many inorganic and organic chemicals sorbed on suspended sediment, including metals, pesticides, polycyclic aromatic hydrocarbons, and

  10. 75 FR 8367 - Proposed Collection; Comment Request; REDS-II-Does Pre-Donation Behavioral Deferral Increase the...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-24

    ... Management and Budget (OMB) for review and approval. Proposed Collection: Title: REDS-II Does Pre-Donation... ``layers of safety'' concept, increase the safety of the blood supply, studies with sufficiently...

  11. Binding of Co(II) and Cu(II) cations to chemically modified wool fibres: an IR investigation

    NASA Astrophysics Data System (ADS)

    Taddei, Paola; Monti, Patrizia; Freddi, Giuliano; Arai, Takayuki; Tsukada, Masuhiro

    2003-05-01

    Wool fibres were modified by treatment with tannic acid (TA) solution or by acylation with ethylenediaminetetraacetic (EDTA) dianhydride. The unmodified and modified fibres were subsequently treated with Cu 2+ and Co 2+ solutions, at alkaline pH, and analysed by Attenuated Total Reflectance, ATR/IR spectroscopy to evaluate the changes induced in the structure of the fibre by metal binding. The spectral changes were correlated to metal adsorption results obtained by Inductive Coupled Plasma-Atomic Emission Spectrometry (ICP-AES). The IR results were discussed in relation to our previous findings on the metal binding mode of Bombyx mori and Tussah silk fibres; the changes observed in the spectra were explained by considering the different affinity of the fibres for the modifying reagent and the amount of the metal absorbed. More relevant spectral changes were observed upon Cu 2+ complexation rather than Co 2+ complexation, according to the metal absorption results. The most relevant changes were observed for the EDTA-modified wool sample treated with Cu 2+, according to the higher affinity of wool for EDTA. The IR spectra were quantitatively evaluated by the intensity ratio between the Amide I and Amide II bands (I AmideI/I AmideII) and its trend as a function of metal absorption was reported. The present investigation demonstrated that the interaction between fibre and metal and the subsequent fibre modification depend on the chemical nature of the fibre, the metal cation and the modifying reagent.

  12. Collecting duct-specific knockout of renin attenuates angiotensin II-induced hypertension.

    PubMed

    Ramkumar, Nirupama; Stuart, Deborah; Rees, Sara; Hoek, Alfred Van; Sigmund, Curt D; Kohan, Donald E

    2014-10-15

    The physiological and pathophysiological significance of collecting duct (CD)-derived renin, particularly as it relates to blood pressure (BP) regulation, is unknown. To address this question, we generated CD-specific renin knockout (KO) mice and examined BP and renal salt and water excretion. Mice containing loxP-flanked exon 1 of the renin gene were crossed with mice transgenic for aquaporin-2-Cre recombinase to achieve CD-specific renin KO. Compared with controls, CD renin KO mice had 70% lower medullary renin mRNA and 90% lower renin mRNA in microdissected cortical CD. Urinary renin levels were significantly lower in KO mice (45% of control levels) while plasma renin concentration was significantly higher in KO mice (63% higher than controls) during normal-Na intake. While no observable differences were noted in BP between the two groups with varying Na intake, infusion of angiotensin II at 400 ng·kg(-1)·min(-1) resulted in an attenuated hypertensive response in the KO mice (mean arterial pressure 111 ± 4 mmHg in KO vs. 128 ± 3 mmHg in controls). Urinary renin excretion and epithelial Na(+) channel (ENaC) remained significantly lower in the KO mice following ANG II infusion compared with controls. Furthermore, membrane-associated ENaC protein levels were significantly lower in KO mice following ANG II infusion. These findings suggest that CD renin modulates BP in ANG II-infused hypertension and these effects are associated with changes in ENaC expression.

  13. Adsorption/desorption of Cd(II), Cu(II) and Pb(II) using chemically modified orange peel: Equilibrium and kinetic studies

    NASA Astrophysics Data System (ADS)

    Lasheen, Mohamed R.; Ammar, Nabila S.; Ibrahim, Hanan S.

    2012-02-01

    Waste materials from industries such as food processing may act as cost effective and efficient biosorbents to remove toxic contaminants from wastewater. This study aimed to establish an optimized condition and closed loop application of processed orange peel for metals removal. A comparative study of the adsorption capacity of the chemically modified orange peel was performed against environmentally problematic metal ions, namely, Cd 2+, Cu 2+ and Pb 2+, from aqueous solutions. Chemically modified orange peel (MOP) showed a significantly higher metal uptake capacity compared to original orange peel (OP). Fourier Transform Infrared (FTIR) Spectra of peel showed that the carboxylic group peak shifted from 1637 to 1644 cm -1 after Pb (II) ions binding, indicated the involvement of carboxyl groups in Pb(II) ions binding. The metals uptake by MOP was rapid and the equilibrium time was 30 min at constant temperature and pH. Sorption kinetics followed a second-order model. The mechanism of metal sorption by MOP gave good fits for Freundlich and Langmuir models. Desorption of metals and regeneration of the biosorbent was attained simultaneously by acid elution. Even after four cycles of adsorption-elution, the adsorption capacity was regained completely and adsorption efficiency of metal was maintained at around 90%.

  14. Interview-Based Qualitative Research in Emergency Care Part II: Data Collection, Analysis and Results Reporting

    PubMed Central

    Ranney, Megan L.; Meisel, Zachary; Choo, Esther K.; Garro, Aris; Sasson, Comilla; Morrow, Kathleen

    2015-01-01

    Qualitative methods are increasingly being used in emergency care research. Rigorous qualitative methods can play a critical role in advancing the emergency care research agenda by allowing investigators to generate hypotheses, gain an in-depth understanding of health problems or specific populations, create expert consensus, and develop new intervention and dissemination strategies. In Part I of this two-article series, we provided an introduction to general principles of applied qualitative health research and examples of its common use in emergency care research, describing study designs and data collection methods most relevant to our field (observation, individual interviews, and focus groups). Here in Part II of this series, we outline the specific steps necessary to conduct a valid and reliable qualitative research project, with a focus on interview-based studies. These elements include building the research team, preparing data collection guides, defining and obtaining an adequate sample, collecting and organizing qualitative data, and coding and analyzing the data. We also discuss potential ethical considerations unique to qualitative research as it relates to emergency care research. PMID:26284572

  15. Interview-based Qualitative Research in Emergency Care Part II: Data Collection, Analysis and Results Reporting.

    PubMed

    Ranney, Megan L; Meisel, Zachary F; Choo, Esther K; Garro, Aris C; Sasson, Comilla; Morrow Guthrie, Kate

    2015-09-01

    Qualitative methods are increasingly being used in emergency care research. Rigorous qualitative methods can play a critical role in advancing the emergency care research agenda by allowing investigators to generate hypotheses, gain an in-depth understanding of health problems or specific populations, create expert consensus, and develop new intervention and dissemination strategies. In Part I of this two-article series, we provided an introduction to general principles of applied qualitative health research and examples of its common use in emergency care research, describing study designs and data collection methods most relevant to our field (observation, individual interviews, and focus groups). Here in Part II of this series, we outline the specific steps necessary to conduct a valid and reliable qualitative research project, with a focus on interview-based studies. These elements include building the research team, preparing data collection guides, defining and obtaining an adequate sample, collecting and organizing qualitative data, and coding and analyzing the data. We also discuss potential ethical considerations unique to qualitative research as it relates to emergency care research.

  16. Chemical Speciation of PM-2.5 Collected During Prescribed Burns of the Coconino National Forest

    NASA Astrophysics Data System (ADS)

    Robinson, M.; Chavez, J.; Valazquez, S.

    2001-12-01

    In 1997, the EPA promulgated regulations for fine particulate matter (PM-2.5) due to concerns that PM-2.5 can contribute to pulmonary disease. A major source of PM-2.5 is smoke from forest fires (natural or prescribed). The use of prescribed fire is expected to increase in the next decade as a method for restoring wildland ecosystems. The fire-suppression policy of the past century has left forests overgrown with heavy fuel loads, increasing the likelihood of catastrophic fire. Prescribed fire, combined with mechanical thinning, is a method-of-choice to reduce this fuel load. The apparent conflict between the intentional use of fire and air quality can be addressed by increasing our understanding of PM-2.5 and its toxicity. To this end, we will monitor the chemical composition of PM-2.5 generated during three prescribed fires of the Coconino National Forest in October 2001. PM-2.5 will be collected using a battery-operated chemical speciation sampler (MetOne SuperSASS) positioned to collect smoke during the fire. Samples will be taken during the ignition and combustion phases, as well as the day after the burn. Each sampling period will collect 3 filters (PTFE, nylon + MgO denuder, and quartz), which will be analyzed (Research Triangle International) respectively for mass and elements, ions, and total, organic, and elemental carbon. In addition, a fourth PTFE filter will be collected and analyzed at NAU for lead isotope ratios using inductively-coupled plasma mass spectrometry. Results will be correlated to meteorological factors collected during the burns (relative humidity, wind speed, air stability, and surface temperature, etc.) and to characteristics of the burn itself (fuel load, fuel type, fire type, combustion phase, etc.). Results will be compared to the national database collected in EPA's PM-2.5 speciation trends monitoring network (STN).

  17. Chemical investigation and quality of urban dew collections with dust precipitates.

    PubMed

    Odeh, Issam; Arar, Sharif; Al-Hunaiti, Afnan; Sa'aydeh, Hiyam; Hammad, Ghada; Duplissy, Jonathan; Vuollekoski, Henri; Korpela, Antti; Petäjä, Tuukka; Kulmala, Markku; Hussein, Tareq

    2017-03-29

    The quality and chemical composition of urban dew collections with dust precipitates without pre-cleaning of the collecting surface WSF (white standard foil) were investigated for 16 out of 20 collected samples with collected volumes ranging from 22 to 230 ml. The collection period was from March to July 2015 at an urban area, Jubaiha, which is located in the northern part of the capital city Amman, Jordan. The obtained results indicated the predominance of Ca(2+) and SO4(2-) ions (ratio 2.2:1) that originated from Saharan soil dust; where the collected samples were alkaline (mean pH = 7.35) with high mineralization (429.22 mg/L) exceeding the previously reported dew values in Amman-Jordan. A relocation of NaCl and to a less extent Mg(2+) from sea to land by Saharan wind is indicated by the percent sea-salt fraction calculations (over 100 and 52, respectively). The collected samples exhibited high total organic carbon (TOC) values ranging from 11.86 to 74.60 mg/L, presence of particulate settled material with turbidity ranging from 20.10 to 520.00 NTU, and presence of undesired elements like boron (mean = 1.48 mg/L) that made it different in properties from other dew water collections at clean surfaces, and exceeding the standard limits for drinking water for these parameters set by Jordanian Drinking Water standards (JS286/2015)/WHO standard. The quality of this water is more close to that for raw or agricultural water but if it is meant to be used as potable source of water, at least sand and activated charcoal filters are needed to purify it.

  18. The KIVA-II computer program for transient multidimensional chemically reactive flows with sprays

    SciTech Connect

    Amsden, A.A.; Butler, T.D.; O'Rourke, P.J.

    1987-01-01

    Since its public release in 1985, the KIVA computer program has been utilized for the time dependent analysis of chemically reacting flows with sprays in two and three space dimensions. This paper describes some of the improvements to the original version that have been made since that time. The new code called KIVA-II is planned for public release in early 1988. KIVA-II improves the earlier version in the accuracy and efficiency of the computational procedure, the accuracy of the physics submodels, and in versatility and ease of use. Numerical improvements include the use of the ICE solution procedure in place of the acoustic subcycling method and the implementation of a quasi-second-order-accurate convection scheme. Major extensions to the physical submodels include the inclusion of an optional k-epsilon turbulence model, and several additions to the spray model. We illustrate some of the new capabilities by means of example solutions. 25 refs., 7 figs.

  19. Occurrence of classes I and II integrons in Enterobacteriaceae collected from Zagazig University Hospitals, Egypt

    PubMed Central

    Malek, Mai M.; Amer, Fatma A.; Allam, Ayman A.; El-Sokkary, Rehab H.; Gheith, Tarek; Arafa, Mohamed A.

    2015-01-01

    Integrons are genetic units characterized by the ability to capture and incorporate gene cassettes, thus can contribute to the emergence and transfer of antibiotic resistance. The objectives of this study were: (1) to investigate the presence and distribution of class I and class II integrons and the characteristics of the gene cassettes they carry in Enterobacteriaceae isolated from nosocomial infections at Zagzig University Hospital in Egypt, (2) to determine their impact on resistance, and (3) to identify risk factors for the existence of integrons. Relevant samples and full clinical history were collected from 118 inpatients. Samples were processed; isolated microbes were identified and tested for antibiotic susceptibilities. Integrons were detected by polymerase chain reaction (PCR) and were characterized into class I or II by restriction fragment length polymorphism (RFLP). Integron-positive isolates were subjected to another PCR to detect gene cassette, followed by gene cassette sequencing. Risk factors were analyzed by logistic regression analysis. Seventy-six Enterobacteriaceae isolates were recognized, 41 of them (53.9%) were integron-positive; 39 strains carried class I and 2 strains carried class II integrons. Integrons had gene cassettes encoding different combinations and types of resistance determinants. Interestingly, blaOXA129 gene was found and ereA gene was carried on class I integrons. The same determinants were carried within isolates of the same species as well as isolates of different species. The presence of integrons was significantly associated with multidrug resistance (MDR). No risk factors were associated for integron carriage. We conclude that integrons carrying gene cassettes encoding antibiotic resistance are significantly present among Enterobacteriaceae causing nosocomial infection in our hospital. Risk factors for acquisition remain to be identified. PMID:26157425

  20. Effects of chemical speciation in growth media on the toxicity of mercury(II).

    PubMed

    Farrell, R E; Germida, J J; Huang, P M

    1993-05-01

    The toxicity of metals, including mercury, is expressed differently in different media, and the addition of soluble organics to the growth medium can have a significant impact on bioassay results. Although the effect of medium composition on metal toxicity is generally attributed to its effect on metal speciation (i.e., the chemical form in which the metal occurs), the importance of individual metal-ligand species remains largely unclear. Here, we report the results of a study that investigated, both experimentally and from a modeling perspective, the effects of complex soluble organic supplements on the acute toxicity (i.e., 50% inhibitory concentration [IC50]) of mercury to a Pseudomonas fluorescens isolate in chemically well-defined synthetic growth media (M-IIX). The media consisted of a basal inorganic salts medium supplemented with glycerol (0.1%, vol/vol) and a variety of common protein hydrolysates (0.1%, vol/vol), i.e., Difco beef extract (X = B), Casamino Acids (X = C), peptone (X = P), soytone (X = S), tryptone (X = T), and yeast extract (X = Y). These were analyzed to obtain cation, anion, and amino acid profiles and the results were used to compute the aqueous speciation of Hg(II) in the media. Respirometric bioassays were performed and IC50s were calculated. Medium components varied significantly in their effects on the acute toxicity of Hg(II) to the P. fluorescens isolate. IC50s ranged from 1.48 to 14.54 micrograms of Hg ml-1, and the acute toxicity of Hg(II) in the different media decreased in the order M-IIC > M-IIP > M-IIB > M-IIT > M-IIS > M-IIY.(ABSTRACT TRUNCATED AT 250 WORDS)

  1. Effects of chemical speciation in growth media on the toxicity of mercury(II).

    PubMed Central

    Farrell, R E; Germida, J J; Huang, P M

    1993-01-01

    The toxicity of metals, including mercury, is expressed differently in different media, and the addition of soluble organics to the growth medium can have a significant impact on bioassay results. Although the effect of medium composition on metal toxicity is generally attributed to its effect on metal speciation (i.e., the chemical form in which the metal occurs), the importance of individual metal-ligand species remains largely unclear. Here, we report the results of a study that investigated, both experimentally and from a modeling perspective, the effects of complex soluble organic supplements on the acute toxicity (i.e., 50% inhibitory concentration [IC50]) of mercury to a Pseudomonas fluorescens isolate in chemically well-defined synthetic growth media (M-IIX). The media consisted of a basal inorganic salts medium supplemented with glycerol (0.1%, vol/vol) and a variety of common protein hydrolysates (0.1%, vol/vol), i.e., Difco beef extract (X = B), Casamino Acids (X = C), peptone (X = P), soytone (X = S), tryptone (X = T), and yeast extract (X = Y). These were analyzed to obtain cation, anion, and amino acid profiles and the results were used to compute the aqueous speciation of Hg(II) in the media. Respirometric bioassays were performed and IC50s were calculated. Medium components varied significantly in their effects on the acute toxicity of Hg(II) to the P. fluorescens isolate. IC50s ranged from 1.48 to 14.54 micrograms of Hg ml-1, and the acute toxicity of Hg(II) in the different media decreased in the order M-IIC >> M-IIP > M-IIB >> M-IIT > M-IIS >>> M-IIY.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:8517745

  2. Topoisomerase I and II inhibitors: chemical structure, mechanisms of action and role in cancer chemotherapy

    NASA Astrophysics Data System (ADS)

    Dezhenkova, L. G.; Tsvetkov, V. B.; Shtil, A. A.

    2014-01-01

    The review summarizes and analyzes recent published data on topoisomerase I and II inhibitors as potential antitumour agents. Functions and the mechanism of action of topoisomerases are considered. The molecular mechanism of interactions between low-molecular-weight compounds and these proteins is discussed. Topoisomerase inhibitors belonging to different classes of chemical compounds are systematically covered. Assays for the inhibition of topoisomerases and the possibilities of using the computer-aided modelling for the rational design of novel drugs for cancer chemotherapy are presented. The bibliography includes 127 references.

  3. Chemical Diversity in the Ultra-faint Dwarf Galaxy Tucana II

    NASA Astrophysics Data System (ADS)

    Ji, Alexander P.; Frebel, Anna; Ezzeddine, Rana; Casey, Andrew R.

    2016-11-01

    We present the first detailed chemical abundance study of the ultra-faint dwarf galaxy Tucana II, based on high-resolution Magellan/MIKE spectra of four red giant stars. The metallicities of these stars range from [Fe/H] = -3.2 to -2.6, and all stars are low in neutron-capture abundances ([Sr/Fe] and [Ba/Fe] < -1). However, a number of anomalous chemical signatures are present. One star is relatively metal-rich ([Fe/H] = -2.6) and shows [Na, α, Sc/Fe] < 0, suggesting an extended star formation history with contributions from AGB stars and SNe Ia. Two stars with [Fe/H] < -3 are mildly carbon-enhanced ([C/Fe] ˜ 0.7) and may be consistent with enrichment by faint supernovae, if such supernovae can produce neutron-capture elements. A fourth star with [Fe/H] = -3 is carbon-normal, and exhibits distinct light element abundance ratios from the carbon-enhanced stars. This carbon-normal star implies that at least two distinct nucleosynthesis sources, both possibly associated with Population III stars, contributed to the early chemical enrichment of this galaxy. Despite its very low luminosity, Tucana II shows a diversity of chemical signatures that preclude it from being a simple “one-shot” first galaxy yet still provide a window into star and galaxy formation in the early universe. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  4. Relationships between chemical structure and rat repellency. II. Compounds screened between 1950 and 1960

    USGS Publications Warehouse

    Bowles, W.A.; Adomaitis, V.A.; DeWitt, J.B.; Pratt, J.J.

    1974-01-01

    Over 4,600 compounds, chiefly organic types, were evaluated using both a food acceptance test (Part A) and a barrier penetration bioassay (Part B), to correlate relationships between chemical structure and rodent repellency.These chemicals are indexed and classified according to the functional groups present and to the degree of substitution within their molecular structures. The results of reduction in foot consumption for each compound appraised are calculated and their K values listed in Table I.The repellent activities of the functional groups represented, alone or in combinations, are expressed in Table II by a Functional Group Repellency Index. A ranking of these indices suggests that acyclic and heteroyclic compounds containing tri- or pentavalent nitrogen would be a parent compound of choice for synthesizing novel repellents. Other molecular arrangements, spatial configurations and combinations of functional groups are compared.There were 123 active, interesting or promising compounds included in the 699 having K values of 85 or greater, which were selected for the barrier appraisal study. These chemicals were formulated in selective solvents at several concentrations and applied to burlap. Small foot bags were fashioned using the fabric impregnated with the candidate formulation, and exposed to rodent attack following storage periods of varying intervals. The results of these tests are listed in Table III. Again, those compounds containing nitrogen in the functional groupings indicated a high order of effectiveness. Several commercial patents covering rodent repellents were issued using the data from the food acceptance and barrier studies.Organizations and cooperators which supplied samples for the program are listed in Appendix I. The Wiswesser cipher for compounds in Table I is used in Appendix II to facilitate location of chemicals by sample code number as they appear under the index headings, and for computer storage and analysis.

  5. Relationships between chemical structure and rat repellency: II. compounds screened between 1950 and 1960

    USGS Publications Warehouse

    Bowles, Walter A.; Adomaitis, V.A.; DeWitt, J.B.; Pratt, J.J.

    1974-01-01

    Over 4,600 compounds, chiefly organic types, were evaluated using both a food acceptance test (Part A) and a barrier penetration bioassay (Part B), to correlate relationships between chemical structure and rodent repellency. These chemicals are indexed and classified according to the functional groups present and to the degree of substitution within their molecular structures. The results of reduction in food consumption for each compound appraised are calculated and their K values listed in Table 1. The repellent activities of the functional groups represented, alone or in combinations, are expressed in Table II by a Functional Group Repellency Index.. A ranking of these indices suggests that acyclic and heteroyclic compounds containing tri- or pentavalent nitrogen would be a parent compound of choice for synthesizing novel repellents. Other molecular arrangements, spatial configurations and combinations of functional groups are compared. There were 123 active, interesting or promising compounds included in the 699 having K values of 85 or greater, which were selected for the barrier appraisal study. These chemicals were formulated in selective solvents at several concentrations and applied to burlap. Small food bags were fashioned using the fabric impregnated with the candidate formulation, and exposed to rodent attack following storage periods of varying intervals. The results of these tests are listed in Table III. Again, those compounds containing nitrogen in the functional groupings indicated a high order of effectiveness. Several commercial patents covering rodent repellents were issued using the data from the food acceptance and barrier studies. Organizations and cooperators which supplied samples for the program are listed in Appendix I. The Wiswesser cipher for compounds in Table I is used in Appendix II to facilitate location of chemicals by sample code number as they appear under the index headings, and for computer storage and analysis.

  6. Chemical weathering on Mars. Collection of papers. LPI-MSATT Workshop on Chemical Weathering on Mars, Cocoa Beach, FL (USA), 10 - 12 Sep 1992.

    NASA Astrophysics Data System (ADS)

    Burns, R. G.; Banin, A.

    1993-10-01

    The Workshop on Chemical Weathering on Mars consisted of thirty papers, extended abstracts of which were published in the LPI Technical Report, No. 92-04. The collection of seven papers in this issue report new data and interpretations about the chemical evolution of the Martian surface.

  7. Toxicity Screening of the ToxCast Phase II Chemical Library Using a Zebrafish Developmental Assay (SOT)

    EPA Science Inventory

    As part of the chemical screening and prioritization research program of the US EPA, the ToxCast Phase II chemicals were assessed using a vertebrate screen for developmental toxicity. Zebrafish embryos (Danio rerio) were exposed in 96-well plates from late-blastula stage (6hr pos...

  8. DOE SBIR Phase II Final Report: Distributed Relevance Ranking in Heterogeneous Document Collections

    SciTech Connect

    Abe Lederman

    2007-01-08

    This report contains the comprehensive summary of the work performed on the SBIR Phase II project (“Distributed Relevance Ranking in Heterogeneous Document Collections”) at Deep Web Technologies (http://www.deepwebtech.com). We have successfully completed all of the tasks defined in our SBIR Proposal work plan (See Table 1 - Phase II Tasks Status). The project was completed on schedule and we have successfully deployed an initial production release of the software architecture at DOE-OSTI for the Science.gov Alliance's search portal (http://www.science.gov). We have implemented a set of grid services that supports the extraction, filtering, aggregation, and presentation of search results from numerous heterogeneous document collections. Illustration 3 depicts the services required to perform QuickRank™ filtering of content as defined in our architecture documentation. Functionality that has been implemented is indicated by the services highlighted in green. We have successfully tested our implementation in a multi-node grid deployment both within the Deep Web Technologies offices, and in a heterogeneous geographically distributed grid environment. We have performed a series of load tests in which we successfully simulated 100 concurrent users submitting search requests to the system. This testing was performed on deployments of one, two, and three node grids with services distributed in a number of different configurations. The preliminary results from these tests indicate that our architecture will scale well across multi-node grid deployments, but more work will be needed, beyond the scope of this project, to perform testing and experimentation to determine scalability and resiliency requirements. We are pleased to report that a production quality version (1.4) of the science.gov Alliance's search portal based on our grid architecture was released in June of 2006. This demonstration portal is currently available at http://science.gov/search30 . The portal

  9. Angiotensin II increases fibronectin and collagen I through the β-catenin-dependent signaling in mouse collecting duct cells.

    PubMed

    Cuevas, Catherina A; Gonzalez, Alexis A; Inestrosa, Nibaldo C; Vio, Carlos P; Prieto, Minolfa C

    2015-02-15

    The contribution of angiotensin II (ANG II) to renal and tubular fibrosis has been widely reported. Recent studies have shown that collecting duct cells can undergo mesenchymal transition suggesting that collecting duct cells are involved in interstitial fibrosis. The Wnt/β-catenin signaling pathway plays an essential role in development, organogenesis, and tissue homeostasis; however, the dysregulation of this pathway has been linked to fibrosis. In this study, we investigated whether AT1 receptor activation induces the expression of fibronectin and collagen I via the β-catenin pathway in mouse collecting duct cell line M-1. ANG II (10(-7) M) treatment in M-1 cells increased mRNA, protein levels of fibronectin and collagen I, the β-catenin target genes (cyclin D1 and c-myc), and the myofibroblast phenotype. These effects were prevented by candesartan, an AT1 receptor blocker. Inhibition of the β-catenin degradation with pyrvinium pamoate (pyr; 10(-9) M) prevented the ANG II-induced expression of fibronectin, collagen I, and β-catenin target genes. ANG II treatment promoted the accumulation of β-catenin protein in a time-dependent manner. Because phosphorylation of glycogen synthase kinase-3β (GSK-3β) inhibits β-catenin degradation, we further evaluated the effects of ANG II and ANG II plus pyr on p-ser9-GSK-3β levels. ANG II-dependent upregulation of β-catenin protein levels was correlated with GSK-3β phosphorylation. These effects were prevented by pyr. Our data indicate that in M-1 collecting duct cells, the β-catenin pathway mediates the stimulation of fibronectin and collagen I in response to AT1 receptor activation.

  10. Biosorption of copper(II) by Marrubium globosum subsp. globosum leaves powder: effect of chemical pretreatment.

    PubMed

    Yazici, Hüseyin; Kiliç, Mehmet; Solak, Murat

    2008-03-01

    The study was aimed at determining the effect of chemical pretreatment on copper(II) biosorption by Marrubium globosum subsp. globosum leaves. The uptake capacity of the biomass was increased by chemical pretreatment when compared with the raw biomass. The results of biosorption experiments, carried out at the conditions of 50 mg l(-1) initial metal concentration and pH 5.5, showed that pretreating the biomass with alkali solutions (laundry detergent, sodium hydroxide and sodium bicarbonate, 0.5 M) improved the biosorption capacity of biomass (45.90, 45.78 and 43.91%, respectively) compared with raw biomass. Pretreatment with sulfuric and nitric acid solutions, 0.5 M, increased the biosorption capacity of biomass by 11.82 and 10.18%, respectively, while there was no considerable change in the biosorption capacity of biomass (0.35%) after pretreatment with formic acid solution, 0.5 M. Furthermore, sodium chloride and calcium chloride, 0.5 M, pretreatments resulted in the improvement in biosorption capacity of biomass (31.38 and 26.69%, respectively). FT-IR analysis revealed that hydroxyl and carboxyl functional groups were mainly responsible for copper(II) biosorption.

  11. Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.

    PubMed

    Mayfield, Joshua E; Fan, Shuang; Wei, Shuo; Zhang, Mengmeng; Li, Bing; Ellington, Andrew D; Etzkorn, Felicia A; Zhang, Yan Jessie

    2015-10-16

    Proline isomerization greatly impacts biological signaling but is subtle and difficult to detect in proteins. We characterize this poorly understood regulatory mechanism for RNA polymerase II carboxyl terminal domain (CTD) phosphorylation state using novel, direct, and quantitative chemical tools. We determine the proline isomeric preference of three CTD phosphatases: Ssu72 as cis-proline specific, Scp1 and Fcp1 as strongly trans-preferred. Due to this inherent characteristic, these phosphatases respond differently to enzymes that catalyze the isomerization of proline, like Ess1/Pin1. We demonstrate that this selective regulation of RNA polymerase II phosphorylation state exists within human cells, consistent with in vitro assays. These results support a model in which, instead of a global enhancement of downstream enzymatic activities, proline isomerases selectively boost the activity of a subset of CTD regulatory factors specific for cis-proline. This leads to diversified phosphorylation states of CTD in vitro and in cells. We provide the chemical tools to investigate proline isomerization and its ability to selectively enhance signaling in transcription and other biological contexts.

  12. Integrated Data Collection Analysis (IDCA) Program - RDX Type II Class 5 Standard, Data Set 1

    SciTech Connect

    Sandstrom, Mary M.; Brown, Geoffrey W.; Preston, Daniel N.; Pollard, Colin J.; Warner, Kirstin F.; Sorenson, Daniel N.; Remmers, Daniel L.; Moran, Jesse S.; Shelley, Timothy J.; Reyes, Jose A.; Hsu, Peter C.; Whipple, Richard E.; Reynolds, John G.

    2011-04-11

    This document describes the results of the first reference sample material—RDX Type II Class 5—examined in the proficiency study for small-scale safety and thermal (SSST) testing of explosive materials for the Integrated Data Collection Analysis (IDCA) Program. The IDCA program is conducting proficiency testing on homemade explosives (HMEs). The reference sample materials are being studied to establish the accuracy of traditional explosives safety testing for each performing laboratory. These results will be used for comparison to results from testing HMEs. This effort, funded by the Department of Homeland Security (DHS), ultimately will put the issues of safe handling of these materials in perspective with standard military explosives. The results of the study will add SSST testing results for a broad suite of different HMEs to the literature, potentially suggest new guidelines and methods for HME testing, and possibly establish what are the needed accuracies in SSST testing to develop safe handling practices. Described here are the results for impact, friction, electrostatic discharge, and scanning calorimetry analysis of a reference sample of RDX Type II Class 5. The results from each participating testing laboratory are compared using identical test material and preparation methods wherever possible. Note, however, the test procedures differ among the laboratories. These results are then compared to historical data from various sources. The performers involved are Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Air Force Research Laboratory/ RXQL (AFRL), Indian Head Division, Naval Surface Warfare Center, (IHD-NSWC), and Sandia National Laboratories (SNL). These tests are conducted as a proficiency study in order to establish some consistency in test protocols, procedures, and experiments and to understand how to compare results when test protocols are not identical.

  13. Chemical pollutants in field-collected canvasback tissues, eggs, and food materials

    USGS Publications Warehouse

    White, D.H.; Dieter, M.P.; Stendell, R.C.

    1976-01-01

    In 1972 studies began on the levels of environmental pollutants in canvasback tissues, eggs, and food items. The purpose of the studies were to determine if the levels of toxic chemicals found in canvasbacks were of the magnitude to cause problems affecting reproduction and survival. Overall, levels of organochlorine pesticides and PCB's were low in canvasbacks and their eggs. Some individual birds, however, laid eggs with elevated residues of DDE (12.1 ppm) or PCB's (28.6 ppm). There was no significant difference between eggshell thicknesses of 1972-73 and pre-1946 collections. About 12% of the canvasbacks analyzed had elevated levels of blood lead with reduced ALAD enzyme activity. Adult canvasbacks collected from the Chesapeake Bay in 1975 had moderate to high levels of cadmium in their kidneys. Cadmium, in excessive amounts is very toxic and can curtail spermatogenesis in male birds. Although no single toxic chemical found in wild canvasbacks appears to be a major factor in population declines, the cumulative effects of sublethal levels of all the pollutants may render birds susceptible to disease, hunting pressure or predation.

  14. A new sampler for collecting separate dry and wet atmospheric depositions of trace organic chemicals

    NASA Astrophysics Data System (ADS)

    Waite, Don T.; Cessna, Allan J.; Gurprasad, Narine P.; Banner, James

    Studies conducted in Saskatchewan and elsewhere have demonstrated the atmospheric transport of agricultural pesticides and other organic contaminants and their deposition into aquatic ecosystems. To date these studies have focused on ambient concentrations in the atmosphere and in wet precipitation. To measure the dry deposition of organic chemicals, a new sampler was designed which uses a moving sheet of water to passively trap dry particles and gasses. The moving sheet of water drains into a reservoir and, during recirculation through the sampler, is passed through an XAD-2 resin column which adsorbs the trapped organic contaminants. All surfaces which contact the process water are stainless steel or Teflon. Chemicals collected can be related to airborne materials depositing into aquatic ecosystems. The sampler has received a United States patent (number 5,413,003 - 9 May 1996) with the Canadian patent pending. XAD-2 resin adsorption efficiencies for 10 or 50 μg fortifications of ten pesticides ranged from 76% for atrazine (2-chloro-4-ethylamino-6-isopropylamino- S-triazine) to 110% for triallate [ S-(2,3,3-trichloro-2-phenyl)bis(1-methylethyl)carbamothioate], dicamba (2-methoxy-3,6-dichlorobenzoic acid) and toxaphene (chlorinated camphene mixture). Field testing using duplicate samplers showed good reproducibility and amounts trapped were consistent with those from high volume and bulk pan samplers located on the same site. Average atmospheric dry deposition rates of three chemicals, collected for 5 weeks in May and June, were: dicamba, 69 ng m -2 da -1; 2,4-D (2,4-dichlorophenoxyacetic acid), 276 ng m -2 da -1: and, γ-HCH ( γ-1, 2, 3, 4, 5, 6-hexachlorocyclohexane), 327 ng m -2 da -1.

  15. Chemical management in fungicide sensivity of Mycosphaerella fijiensis collected from banana fields in México

    PubMed Central

    Aguilar-Barragan, Alejandra; García-Torres, Ana Elisa; Odriozola-Casas, Olga; Macedo-Raygoza, Gloria; Ogura, Tetsuya; Manzo-Sánchez, Gilberto; James, Andrew C.; Islas-Flores, Ignacio; Beltrán-García, Miguel J.

    2014-01-01

    The chemical management of the black leaf streak disease in banana caused by Mycosphaerella fijiensis (Morelet) requires numerous applications of fungicides per year. However this has led to fungicide resistance in the field. The present study evaluated the activities of six fungicides against the mycelial growth by determination of EC50 values of strains collected from fields with different fungicide management programs: Rustic management (RM) without applications and Intensive management (IM) more than 25 fungicide application/year. Results showed a decreased sensitivity to all fungicides in isolates collected from IM. Means of EC50 values in mg L−1 for RM and IM were: 13.25 ± 18.24 and 51.58 ± 46.14 for azoxystrobin, 81.40 ± 56.50 and 1.8575 ± 2.11 for carbendazim, 1.225 ± 0.945 and 10.01 ± 8.55 for propiconazole, 220 ± 67.66 vs. 368 ± 62.76 for vinclozolin, 9.862 ± 3.24 and 54.5 ± 21.08 for fludioxonil, 49.2125 ± 34.11 and 112.25 ± 51.20 for mancozeb. A molecular analysis for β-tubulin revealed a mutation at codon 198 in these strains having an EC50 greater than 10 mg L−1 for carbendazim. Our data indicate a consistency between fungicide resistance and intensive chemical management in banana fields, however indicative values for resistance were also found in strains collected from rustic fields, suggesting that proximity among fields may be causing a fungus interchange, where rustic fields are breeding grounds for development of resistant strains. Urgent actions are required in order to avoid fungicide resistance in Mexican populations of M. fijiensis due to fungicide management practices. PMID:24948956

  16. Neurocinematography in Pre-World War II Netherlands: The Magnus-Rademaker Collection.

    PubMed

    Koehler, Peter J; Lameris, Bregt; Hielscher, Eva

    2016-01-01

    Historical films made by neuroscientists have shown up in several countries during past years. Although originally supposed to have been lost, we recently found a collection of films produced between 1909 and 1940 by Rudolf Magnus (1873-1927), professor of pharmacology (Utrecht) and his student Gysbertus Rademaker (1887-1957), professor of physiology (1928, succeeding Willem Einthoven) and neurology (1945, both in Leiden). Both collections deal with the physiology of body posture by the equilibrium of reflex musculature contractions for which experimental studies were done with animals (labyrinthectomies, cerebellectomies, and brainstem sections) and observations on patients. The films demonstrate the results of these studies. Moreover, there are films with babies showing tonic neck reflexes and moving images capturing adults with cerebellar symptoms following cerebellectomies for tumors and several other conditions. Magnus' studies resulted in his well-known Körperstellung (1924, "Body Posture") and Rademaker's research in his Das Stehen (1931, "Standing"). The films probably had an educative and scientific purpose. Magnus demonstrated his films at congresses, including the Eighth International Congress of Physiologists (Vienna, 1910) and Rademaker screened his moving images at meetings of the Amsterdam Neurologists Society (at several occasions as reflected in the Winkler-Monakow correspondence and the Nederlands Tijdschrift voor Geneeskunde). Next to these purposes, the films were used to analyze movement and a series of images from the films were published in articles and books. The films are important historical sources that provide a portrait of the pre-World War II era in neuroscience, partly answering questions on how physicians dealt with patients and researchers with their laboratory animals. Moreover, the films confirm that cinematography was an important scientific tool in neuroscience research.

  17. Dissecting the chemical interactions and substrate structural signatures governing RNA polymerase II trigger loop closure by synthetic nucleic acid analogues

    PubMed Central

    Xu, Liang; Butler, Kyle Vincent; Chong, Jenny; Wengel, Jesper; Kool, Eric T.; Wang, Dong

    2014-01-01

    The trigger loop (TL) of RNA polymerase II (Pol II) is a conserved structural motif that is crucial for Pol II catalytic activity and transcriptional fidelity. The TL remains in an inactive open conformation when the mismatched substrate is bound. In contrast, TL switches from an inactive open state to a closed active state to facilitate nucleotide addition upon the binding of the cognate substrate to the Pol II active site. However, a comprehensive understanding of the specific chemical interactions and substrate structural signatures that are essential to this TL conformational change remains elusive. Here we employed synthetic nucleotide analogues as ‘chemical mutation’ tools coupling with α-amanitin transcription inhibition assay to systematically dissect the key chemical interactions and structural signatures governing the substrate-coupled TL closure in Saccharomyces cerevisiae Pol II. This study reveals novel insights into understanding the molecular basis of TL conformational transition upon substrate binding during Pol II transcription. This synthetic chemical biology approach may be extended to understand the mechanisms of other RNA polymerases as well as other nucleic acid enzymes in future studies. PMID:24692664

  18. Influence of Geometry on a High Surface Area-Solid Phase Microextraction Sampler for Chemical Vapor Collection

    DTIC Science & Technology

    2007-06-04

    Title of Thesis: Influence of Geometry on a High Surface Area-Solid Phase Microextraction Sampler for Chemical Vapor Collection Name of...TITLE AND SUBTITLE Influence of Geometry on a High Surface Area-Solid Phase Microextraction Sampler for Chemical Vapor Collection 5a. CONTRACT...SUPPLEMENTARY NOTES 14. ABSTRACT The High Surface Area Solid Phase Microextraction (HSA-SPME) device is an internally heated sampling device designed for

  19. Topics in chemical physics: I, Semiclassical reactive scattering theory: II, Corrected effective medium theory

    SciTech Connect

    Kress, J.D.

    1988-07-01

    Two distinct areas within theoretical chemical physics are investigated in this dissertation. First, the dynamics of collinear exchange reactions is treated within a semiclassical Gaussian wavepacket (GWP) description. Second, a corrected effective medium (CEM) theory is derived which yields: a one-active-body description of the binding energy between an atom and an inhomogeneous host; and an N-active-body description of the interaction energy for an N atom system. To properly treat the dynamics of collinear exchange reactions, two extensions to the previous methodology of GWP dynamics are presented: evaluation of the interaction picture wavefunction propagators directly via the GWP solution to the time-dependent Schrodinger equation; and use of an expansion of GWPs to represent the initial translational plane wave. This extended GWP dynamical approach is applied to the H + H/sub 2/ collinear exchange reaction using the Porter-Karplus II potential energy surface.

  20. Characterization of tin (II) sulphide thin film synthesized by successive chemical solution deposition

    NASA Astrophysics Data System (ADS)

    Mukherjee, A.; Mitra, P.

    2015-10-01

    In the present work, tin (II) sulphide ( SnS) thin films were grown on glass substrate by successive chemical solution deposition method using ammonium sulphide as anionic precursor solutions. Characterization techniques of X-ray diffraction, scanning electron microscopy, field emission scanning electron microscopy and energy-dispersive x-ray were utilized to study the microstructure of the films. Energy-dispersive x-ray confirmed formation of nearly stoichiometric film with slight excess of tin under optimized deposition conditions. Particle size estimated from Rietveld refinement of X-ray diffraction data using MAUD software was 41 nm which compared well with field emission scanning electron microscopy measurements. The value of the energy gap of 1.51 eV was found to be near the optimum needs for photovoltaic solar energy conversion (1.5 eV) with high absorption in the visible region. An enhancement in energy gap was observed for tin-enriched films.

  1. Chemical and biological effects of heavy distillate recycle in the SRC-II process

    SciTech Connect

    Wilson, B.W.; Pelroy, R.A.; Anderson, R.P.; Freel, J.

    1983-12-01

    Recent work from the Merriam Laboratory continuous coal liquefaction units shows that heavy distillate from the SRC-II process can be recycled to extinction, and hence a distillate product boiling entirely below 310/sup 0/C (590/sup 0/F) (or other selected boiling points) is feasible. In these runs distillate yield was not reduced; gas make was unaffected; and hydrogen consumption was increased only slightly, in keeping with the generally higher hydrogen content of lighter end products. Total distillate yield (C/sub 5/-590/sup 0/F) was 56 wt %, MAF coal in runs with subbituminous coal from the Amax Belle Ayr mine. Product endpoint is well below 371/sup 0/C (700/sup 0/F), the temperature above which coal distillates appear to become genotoxic; and the product was shown to be free of mutagenic activity in the Ames test. Chemical analyses showed both the < 270/sup 0/C (< 518/sup 0/F) and the < 310/sup 0/C (< 590/sup 0/F) distillates to be essentially devoid of several reference polycyclic compounds known to be carcinogenic in laboratory animals. Tests for tumorigenic or carcinogenic activity were not carried out on these materials. However, a comparison of chemical data from the Merriam heavy distillate samples with data on the other SRC-II distillates where carcinogenesis or tumorigenesis data is available leads to the expectation that < 371/sup 0/C (< 700/sup 0/F) materials from the Merriam Laboratory will have greatly reduced tumorigenic and carcinogenic activity in skin painting tests. Other studies suggest the product should be more readily upgraded than full-range (C/sub 5/-900/sup 0/F) distillate.

  2. Chemical trend of exchange coupling in II-VI diluted magnetic semiconductors

    NASA Astrophysics Data System (ADS)

    Chanier, Thomas; Hayn, Roland; Virot, François

    2010-03-01

    We present an ab-initio study of the magnetic couplings in Mn- and Co-doped II-VI DMS ZnA (A=O,S,Se,Te). We show the necessity of taking into account the strong electron correlation on the transition metal (TM) 3d level to reproduce correctly the experimental chemical trend. Within the LSDA+U (local spin density approximation with a Hubbard-type correction to TM 3d electrons), we find (i) the d-d exchange couplings between nearest-neighbor magnetic ions to be antiferromagnetic (AFM) of the order of -1 meV and (ii) the sp-d exchange constants between magnetic ions and conduction (valence) band electrons (holes) Nα (Nβ) to be FM (AFM) of the order of 0.1 eV (-1 eV). In ZnMnO and ZnCoO, the strong p-d hybridisation leads to the presence of a bound state above the valence band, the failure of the commonly-used Larson perturbation theory formulae for p-d and d-d exchange interactions [1] and prevents high-Tc ferromagnetism [2]. [1] B. Larson et al. , PRB 37, 4137 (1988) [2] T. Chanier et al. , PRB 79, 205204 (2009)

  3. Chemical Analysis of Fractionated Halogens in Atmospheric Aerosols Collected in Okinawa, Japan

    NASA Astrophysics Data System (ADS)

    Tsuhako, A.; Miyagi, Y.; Somada, Y.; Azechi, S.; Handa, D.; Oshiro, Y.; Murayama, H.; Arakaki, T.

    2013-12-01

    Halogens (Cl, Br and I) play important roles in the atmosphere, e.g. ozone depletion by Br during spring in Polar Regions. Sources of halogens in atmospheric aerosols are mainly from ocean. But, for example, when we analyzed Br- with ion chromatography, its concentrations were almost always below the detection limit, which is also much lower than the estimated concentrations from sodium ion concentrations. We hypothesized that portions of halogens are escaped to the atmosphere, similar to chlorine loss, changed their chemical forms to such as BrO3- and IO3-, and/or even formed precipitates. There was few reported data so far about fractionated halogen concentrations in atmospheric aerosols. Thus, purpose of this study was to determine halogen concentrations in different fractions; free ion, water-soluble chemically transformed ions and precipitates using the authentic aerosols. Moreover, we analyzed seasonal variation for each fraction. Atmospheric aerosol samples were collected at Cape Hedo Atmosphere and Aerosol Monitoring Station (CHAAMS) of Okinawa, Japan during January 2010 and August 2013. A high volume air sampler was used for collecting total particulate matters on quartz filters on a weekly basis. Ultrapure water was used to extract water-soluble factions of halogens. The extracted solutions were filtered with the membrane filter and used for chemical analysis with ion chromatography and ICP-MS. Moreover, the total halogens in aerosols were obtained after digesting aerosols with tetramethylammonium hydroxide (TMAH) using the microwave and analysis with ICP-MS. For Cl, water-soluble Cl- accounted for about 70% of the estimates with Na content. No other forms of water-soluble Cl were found. About 30% of Cl was assumed volatilized to the gas-phase. For Br, water-soluble Br accounted for about 43% of the estimates with Na content, and within the 43%, about 10% of Br was not in the form of Br-. About 46% of Br was assumed volatilized to the gas-phase. For I

  4. Dissociation of I II in chemical oxygen-iodine lasers: experiment, modeling, and pre-dissociation by electrical discharge

    NASA Astrophysics Data System (ADS)

    Katz, A.; Waichman, K.; Dahan, Z.; Rybalkin, V.; Barmashenko, B. D.; Rosenwaks, S.

    2007-06-01

    The dissociation of I II molecules at the optical axis of a supersonic chemical oxygen-iodine laser (COIL) was studied via detailed measurements and three dimensional computational fluid dynamics calculations. Comparing the measurements and the calculations enabled critical examination of previously proposed dissociation mechanisms and suggestion of a mechanism consistent with the experimental and theoretical results obtained in a supersonic COIL for the gain, temperature and I II dissociation fraction at the optical axis. The suggested mechanism combines the recent scheme of Azyazov and Heaven (AIAA J. 44, 1593 (2006)), where I II(A' 3Π 2u), I II(A 3Π 1u) and O II(a1Δ g, v) are significant dissociation intermediates, with the "standard" chain branching mechanism of Heidner et al. (J. Phys. Chem. 87, 2348 (1983)), involving I(2P 1/2) and I II(X1Σ + g, v). In addition, we examined a new method for enhancement of the gain and power in a COIL by applying DC corona/glow discharge in the transonic section of the secondary flow in the supersonic nozzle, dissociating I II prior to its mixing with O II(1Δ). The loss of O II(1Δ) consumed for dissociation was thus reduced and the consequent dissociation rate downstream of the discharge increased, resulting in up to 80% power enhancement. The implication of this method for COILs operating beyond the specific conditions reported here is assessed.

  5. Study of the adsorption and electroadsorption process of Cu (II) ions within thermally and chemically modified activated carbon.

    PubMed

    Macías-García, A; Gómez Corzo, M; Alfaro Domínguez, M; Alexandre Franco, M; Martínez Naharro, J

    2017-04-15

    The aim of this work is to modify the porous texture and superficial groups of a commercial activated carbon through chemical and thermal treatment and subsequently study the kinetics of adsorption and electroadsorption of Cu (II) ion for these carbons. Samples of three activated carbons were used. These were a commercial activated carbon, commercial activated carbon modified thermically (C-N2-900) and finally commercial activated carbon modified chemically C-SO2-H2S-200. The activated carbons were characterized chemically and texturally and the electrical conductivity of them determined. Different kinetic models were applied. The kinetics of the adsorption and electroadsorption process of the Cu (II) ion fits a pseudo second order model and the most likely mechanism takes place in two stages. A first step through transfer of the metal mass through the boundary layer of the adsorbent and distribution of the Cu (II) on the external surface of the activated carbon and a second step that represents intraparticle diffusion and joining of the Cu (II) with the active centres of the activated carbon. Finally, the kinetics of the adsorption process are faster than the kinetics of the electroadsorption but the percentage of the Cu (II) ion retained is much higher in the electroadsorption process.

  6. Angiotensin II inhibits the ROMK-like small conductance K channel in renal cortical collecting duct during dietary potassium restriction.

    PubMed

    Wei, Yuan; Zavilowitz, Beth; Satlin, Lisa M; Wang, Wen-Hui

    2007-03-02

    Base-line urinary potassium secretion in the distal nephron is mediated by small conductance rat outer medullary K (ROMK)-like channels. We used the patch clamp technique applied to split-open cortical collecting ducts (CCDs) isolated from rats fed a normal potassium (NK) or low potassium (LK) diet to test the hypothesis that AngII directly inhibits ROMK channel activity. We found that AngII inhibited ROMK channel activity in LK but not NK rats in a dose-dependent manner. The AngII-induced reduction in channel activity was mediated by AT1 receptor (AT1R) binding, because pretreatment of CCDs with losartan but not PD123319 AT1 and AT2 receptor antagonists, respectively, blocked the response. Pretreatment of CCDs with U73122 and calphostin C, inhibitors of phospholipase C (PLC) and protein kinase C (PKC), respectively, abolished the AngII-induced decrease in ROMK channel activity, confirming a role of the PLC-PKC pathway in this response. Studies by others suggest that AngII stimulates an Src family protein-tyrosine kinase (PTK) via PKC-NADPH oxidase. PTK has been shown to regulate the ROMK channel. Inhibition of NADPH oxidase with diphenyliodonium abolished the inhibitory effect of AngII or the PKC activator phorbol 12-myristate 13-acetate on ROMK channels. Suppression of PTK by herbimycin A significantly attenuated the inhibitory effect of AngII on ROMK channel activity. We conclude that AngII inhibits ROMK channel activity through PKC-, NADPH oxidase-, and PTK-dependent pathways under conditions of dietary potassium restriction.

  7. Angiotensin II Inhibits the ROMK-like Small Conductance K Channel in Renal Cortical Collecting Duct during Dietary Potassium Restriction*

    PubMed Central

    Wei, Yuan; Zavilowitz, Beth; Satlin, Lisa M.; Wang, Wen-Hui

    2010-01-01

    Base-line urinary potassium secretion in the distal nephron is mediated by small conductance rat outer medullary K (ROMK)-like channels. We used the patch clamp technique applied to split-open cortical collecting ducts (CCDs) isolated from rats fed a normal potassium (NK) or low potassium (LK) diet to test the hypothesis that AngII directly inhibits ROMK channel activity. We found that AngII inhibited ROMK channel activity in LK but not NK rats in a dose-dependent manner. The AngII-induced reduction in channel activity was mediated by AT1 receptor (AT1R) binding, because pretreatment of CCDs with losartan but not PD123319 AT1 and AT2 receptor antagonists, respectively, blocked the response. Pretreatment of CCDs with U73122 and calphostin C, inhibitors of phospholipase C (PLC) and protein kinase C (PKC), respectively, abolished the AngII-induced decrease in ROMK channel activity, confirming a role of the PLC-PKC pathway in this response. Studies by others suggest that AngII stimulates an Src family protein-tyrosine kinase (PTK) via PKC-NADPH oxidase. PTK has been shown to regulate the ROMK channel. Inhibition of NADPH oxidase with diphenyliodonium abolished the inhibitory effect of AngII or the PKC activator phorbol 12-myristate 13-acetate on ROMK channels. Suppression of PTK by herbimycin A significantly attenuated the inhibitory effect of AngII on ROMK channel activity. We conclude that AngII inhibits ROMK channel activity through PKC-, NADPH oxidase-, and PTK-dependent pathways under conditions of dietary potassium restriction. PMID:17194699

  8. Collection and Chemical Composition of Phloem Sap from Citrus sinensis L. Osbeck (Sweet Orange)

    PubMed Central

    Hijaz, Faraj; Killiny, Nabil

    2014-01-01

    Through utilizing the nutrient-rich phloem sap, sap feeding insects such as psyllids, leafhoppers, and aphids can transmit many phloem-restricted pathogens. On the other hand, multiplication of phloem-limited, uncultivated bacteria such as Candidatus Liberibacter asiaticus (CLas) inside the phloem of citrus indicates that the sap contains all the essential nutrients needed for the pathogen growth. The phloem sap composition of many plants has been studied; however, to our knowledge, there is no available data about citrus phloem sap. In this study, we identified and quantified the chemical components of phloem sap from pineapple sweet orange. Two approaches (EDTA enhanced exudation and centrifugation) were used to collect phloem sap. The collected sap was derivatized with methyl chloroformate (MCF), N-methyl-N- [tert-butyl dimethylsilyl]-trifluroacetamide (MTBSTFA), or trimethylsilyl (TMS) and analyzed with GC-MS revealing 20 amino acids and 8 sugars. Proline, the most abundant amino acid, composed more than 60% of the total amino acids. Tryptophan, tyrosine, leucine, isoleucine, and valine, which are considered essential for phloem sap-sucking insects, were also detected. Sucrose, glucose, fructose, and inositol were the most predominant sugars. In addition, seven organic acids including succinic, fumaric, malic, maleic, threonic, citric, and quinic were detected. All compounds detected in the EDTA-enhanced exudate were also detected in the pure phloem sap using centrifugation. The centrifugation technique allowed estimating the concentration of metabolites. This information expands our knowledge about the nutrition requirement for citrus phloem-limited bacterial pathogen and their vectors, and can help define suitable artificial media to culture them. PMID:25014027

  9. Collection and chemical composition of phloem sap from Citrus sinensis L. Osbeck (sweet orange).

    PubMed

    Hijaz, Faraj; Killiny, Nabil

    2014-01-01

    Through utilizing the nutrient-rich phloem sap, sap feeding insects such as psyllids, leafhoppers, and aphids can transmit many phloem-restricted pathogens. On the other hand, multiplication of phloem-limited, uncultivated bacteria such as Candidatus Liberibacter asiaticus (CLas) inside the phloem of citrus indicates that the sap contains all the essential nutrients needed for the pathogen growth. The phloem sap composition of many plants has been studied; however, to our knowledge, there is no available data about citrus phloem sap. In this study, we identified and quantified the chemical components of phloem sap from pineapple sweet orange. Two approaches (EDTA enhanced exudation and centrifugation) were used to collect phloem sap. The collected sap was derivatized with methyl chloroformate (MCF), N-methyl-N- [tert-butyl dimethylsilyl]-trifluroacetamide (MTBSTFA), or trimethylsilyl (TMS) and analyzed with GC-MS revealing 20 amino acids and 8 sugars. Proline, the most abundant amino acid, composed more than 60% of the total amino acids. Tryptophan, tyrosine, leucine, isoleucine, and valine, which are considered essential for phloem sap-sucking insects, were also detected. Sucrose, glucose, fructose, and inositol were the most predominant sugars. In addition, seven organic acids including succinic, fumaric, malic, maleic, threonic, citric, and quinic were detected. All compounds detected in the EDTA-enhanced exudate were also detected in the pure phloem sap using centrifugation. The centrifugation technique allowed estimating the concentration of metabolites. This information expands our knowledge about the nutrition requirement for citrus phloem-limited bacterial pathogen and their vectors, and can help define suitable artificial media to culture them.

  10. Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation

    SciTech Connect

    Abbas, Charles; Beery, Kyle; Orth, Rick; Zacher, Alan

    2007-09-28

    The purpose of the Department of Energy (DOE)-supported corn fiber conversion project, “Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation” is to develop and demonstrate an integrated, economical process for the separation of corn fiber into its principal components to produce higher value-added fuel (ethanol and biodiesel), nutraceuticals (phytosterols), chemicals (polyols), and animal feed (corn fiber molasses). This project has successfully demonstrated the corn fiber conversion process on the pilot scale, and ensured that the process will integrate well into existing ADM corn wet-mills. This process involves hydrolyzing the corn fiber to solubilize 50% of the corn fiber as oligosaccharides and soluble protein. The solubilized fiber is removed and the remaining fiber residue is solvent extracted to remove the corn fiber oil, which contains valuable phytosterols. The extracted oil is refined to separate the phytosterols and the remaining oil is converted to biodiesel. The de-oiled fiber is enzymatically hydrolyzed and remixed with the soluble oligosaccharides in a fermentation vessel where it is fermented by a recombinant yeast, which is capable of fermenting the glucose and xylose to produce ethanol. The fermentation broth is distilled to remove the ethanol. The stillage is centrifuged to separate the yeast cell mass from the soluble components. The yeast cell mass is sold as a high-protein yeast cream and the remaining sugars in the stillage can be purified to produce a feedstock for catalytic conversion of the sugars to polyols (mainly ethylene glycol and propylene glycol) if desirable. The remaining materials from the purification step and any materials remaining after catalytic conversion are concentrated and sold as a corn fiber molasses. Additional high-value products are being investigated for the use of the corn fiber as a dietary fiber sources.

  11. Angiotensin II directly stimulates ENaC activity in the cortical collecting duct via AT(1) receptors.

    PubMed

    Peti-Peterdi, János; Warnock, David G; Bell, P Darwin

    2002-05-01

    Angiotensin II (AngII) helps to regulate overall renal tubular reabsorption of salt and water, yet its effects in the distal nephron have not been well studied. The purpose of these studies was to determine whether AngII stimulates luminal Na(+) transport in the cortical collecting duct (CCD). Intracellular Na(+) concentration ([Na(+)](i)), as a reflection of Na(+) transport across the apical membrane, was measured with fluorescence microscopy using sodium-binding benzofuran isophthalate (SBFI) in isolated, perfused CCD segments dissected from rabbit kidneys. Control [Na(+)](i), during perfusion with 25 mM NaCl and a Na(+)-free solution in the bath containing the Na(+)-ionophore monensin (10 microM, to eliminate basolateral membrane Na(+) transport) averaged 19.3 +/- 5.2 mM (n = 16). Increasing luminal [NaCl] to 150 mM elevated [Na(+)](i) by 9.87 +/- 1.5 mM (n = 7; P < 0.05). AngII (10(-9) M) added to the lumen significantly elevated baseline [Na(+)](i) by 6.3 +/- 1.0 mM and increased the magnitude (Delta = 25.2 +/- 3.7 mM) and initial rate ( approximately 5 fold) of change in [Na(+)](i) to increased luminal [NaCl]. AngII when added to the bath had similar stimulatory effects; however, AngII was much more effective from the lumen. Thus, AngII significantly increased the apical entry of Na(+) in the CCD. To determine if this apical entry step occurred via the epithelial Na(+) channel (ENaC), studies were performed using the specific ENaC blocker, benzamil hydrochloride (10(-6) M). When added to the perfusate, benzamil almost completely inhibited the elevations in [Na(+)](i) to increased luminal [NaCl] in both the presence and absence of AngII. These results suggest that AngII directly stimulates Na(+) channel activity in the CCD. AT(1) receptor blockade with candesartan or losartan (10(-6) M) prevented the stimulatory effects of AngII. Regulation of ENaC activity by AngII may play an important role in distal Na(+) reabsorption in health and disease.

  12. Preparation of polyethylene sacks for collection of precipitation samples for chemical analysis

    USGS Publications Warehouse

    Schroder, L.J.; Bricker, A.W.

    1985-01-01

    Polyethylene sacks are used to collect precipitation samples. Washing polyethylene with acetone, hexane, methanol, or nitric acid can change the adsorptive characteristics of the polyethylene. In this study, simulated precipitation at pH 4.5 was in contact with the polyethylene sacks for 21 days; subsamples were removed for chemical analysis at 7, 14, and 21 days after intitial contact. Sacks washed with acetone adsorbed iron and lithium; sacks washed with hexane adsorbed barium, iron , and lithium; sacks washed with methanol adsorbed calcium and iron; and sacks washed with 0.30 N nitric acid adsorbed iron. Leaching the plastic sacks with 0.15 N nitric acid did not result in 100-percent recovery of any of the adsorbed metals. Washing polyethylene sacks with dilute nitric acid caused the pH of the simulated precipitation to be decreased by 0.2 pH unit after 1 week of contact with the polyethylene. The specific conductance increased by 10 microsiemens per centimeter. Contamination of precipitation samples by lead was determined to be about 0.1 microgram per liter from contact with precleaned polyethylene sacks. No measurable contamination of precipitation samples by zinc occurred. (USGS)

  13. Synthesis, physico-chemical investigations of Co(II), Ni(II) and Cu(II) complexes and their in vitro microbial, cytotoxic, DNA cleavage studies.

    PubMed

    Bagihalli, Gangadhar B; Patil, Sangamesh A

    2010-06-01

    A series of metal complexes of cobalt(II), nickel(II), and copper(II) have been synthesized with newly derived biologically active ligands. These ligands were synthesized by the condensation of 2-amino-4-phenyl-1,3-thiazole with 8-formyl-7-hydroxy- 4-methylcoumarin. The probable structure of the complexes has been proposed on the basis of analytical and spectroscopic data (IR, UV-Vis, ESR, FAB-mass, and thermoanalytical). Electrochemical study of the complexes is also reported. Elemental analysis of the complexes confined them to stoichiometry of the type ML(2).2H(2)O [M = Co(II), Ni(II), and Cu(II)]. The Schiff base and its metal(II) complexes have been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Staphylococcus pyogenes, and Pseudomonas aeruginosa) and antifungal activities (Aspergillus niger, Aspergillus flavus, and Cladosporium) by the MIC method. The brine shrimp bioassay was carried out to study their in vitro cytotoxic properties, and also the Schiff base and its metal(II) complexes have been studied for DNA cleavage.

  14. Chemical Characterization and Removal of Carbon-14 from Irradiated Graphite II - 13023

    SciTech Connect

    Dunzik-Gougar, Mary Lou; Cleaver, James; LaBrier, Daniel; McCrory, Shilo; Smith, Tara E.

    2013-07-01

    Approximately 250,000 tonnes of irradiated graphite waste exists worldwide and that quantity is expected to increase with decommissioning of Generation II reactors and deployment of Generation IV gas-cooled, graphite moderated reactors. This situation indicates the need for a graphite waste management strategy. Of greatest concern for long-term disposal of irradiated graphite is carbon-14 (C-14), with a half-life of 5730 years. Study of irradiated graphite from some nuclear reactors indicates C-14 is concentrated on the outer 5 mm of the graphite structure. The aim of the research presented last year and updated here is to identify the chemical form of C-14 in irradiated graphite and develop a practical method by which C-14 can be removed. A nuclear-grade graphite, NBG-18, and a high-surface-area graphite foam, POCOFoam{sup R}, were exposed to liquid nitrogen (to increase the quantity of C-14 precursor) and neutron-irradiated (10{sup 13} neutrons/cm{sup 2}/s). Finer grained NBG-25 was not exposed to liquid nitrogen prior to irradiation at a neutron flux on the order of 10{sup 14} /cm{sup 2}/s. Characterization of pre- and post-irradiation graphite was conducted to determine the chemical environment and quantity of C-14 and its precursors via the use of surface sensitive characterization techniques. Scanning Electron Microscopy (SEM) was used to evaluate the morphological features of graphite samples. The concentration, chemical composition, and bonding characteristics of C-14 and its precursors were determined through X-ray Photoelectron Spectroscopy (XPS), Time-of-Flight Secondary Ion Mass Spectrometry (SIMS), and Energy Dispersive X-ray Analysis Spectroscopy (EDX). Results of post-irradiation characterization of these materials indicate a variety of surface functional groups containing carbon, oxygen, nitrogen and hydrogen. During thermal treatment, irradiated graphite samples are heated in the presence of an inert carrier gas (with or without oxidant gas), which

  15. STRUCTURE AND FEEDBACK IN 30 DORADUS. II. STRUCTURE AND CHEMICAL ABUNDANCES

    SciTech Connect

    Pellegrini, E. W.; Baldwin, J. A.; Ferland, G. J.

    2011-09-01

    We use our new optical-imaging and spectrophotometric survey of key diagnostic emission lines in 30 Doradus, together with CLOUDY photoionization models, to study the physical conditions and ionization mechanisms along over 4000 individual lines of sight at points spread across the face of the extended nebula, out to a projected radius 75 pc from R136 at the center of the ionizing cluster NGC 2070. We focus on the physical conditions, geometry, and importance of radiation pressure on a point-by-point basis, with the aim of setting observational constraints on important feedback processes. We find that the dynamics and large-scale structure of 30 Dor are set by a confined system of X-ray bubbles in rough pressure equilibrium with each other and with the confining molecular gas. Although the warm (10,000 K) gas is photoionized by the massive young stars in NGC 2070, the radiation pressure does not currently play a major role in shaping the overall structure. The completeness of our survey also allows us to create a composite spectrum of 30 Doradus, simulating the observable spectrum of a spatially unresolved, distant giant extragalactic H II region. We find that the highly simplified models used in the 'strong line' abundance technique do in fact reproduce our observed line strengths and deduced chemical abundances, in spite of the more than one order of magnitude range in the ionization parameter and density of the actual gas in 30 Dor.

  16. Microbial production of isotopically light iron(II) in a modern chemically precipitated sediment and implications for isotopic variations in ancient rocks

    USGS Publications Warehouse

    Tangalos, G.E.; Beard, B.L.; Johnson, C.M.; Alpers, C.N.; Shelobolina, E.S.; Xu, H.; Konishi, H.; Roden, E.E.

    2012-01-01

    The inventories and Fe isotope composition of aqueous Fe(II) and solid-phase Fe compounds were quantified in neutral-pH, chemically precipitated sediments downstream of the Iron Mountain acid mine drainage site in northern California, USA. The sediments contain high concentrations of amorphous Fe(III) oxyhydroxides [Fe(III)am] that allow dissimilatory iron reduction (DIR) to predominate over Fe–S interactions in Fe redox transformation, as indicated by the very low abundance of Cr(II)-extractable reduced inorganic sulfur compared with dilute HCl-extractable Fe. δ56Fe values for bulk HCl- and HF-extractable Fe were ≈ 0. These near-zero bulk δ56Fe values, together with the very low abundance of dissolved Fe in the overlying water column, suggest that the pyrite Fe source had near-zero δ56Fe values, and that complete oxidation of Fe(II) took place prior to deposition of the Fe(III) oxide-rich sediment. Sediment core analyses and incubation experiments demonstrated the production of millimolar quantities of isotopically light (δ56Fe ≈ -1.5 to -0.5‰) aqueous Fe(II) coupled to partial reduction of Fe(III)am by DIR. Trends in the Fe isotope composition of solid-associated Fe(II) and residual Fe(III)am are consistent with experiments with synthetic Fe(III) oxides, and collectively suggest an equilibrium Fe isotope fractionation between aqueous Fe(II) and Fe(III)am of approximately -2‰. These Fe(III) oxide-rich sediments provide a model for early diagenetic processes that are likely to have taken place in Archean and Paleoproterozoic marine sediments that served as precursors for banded iron formations. Our results suggest pathways whereby DIR could have led to the formation of large quantities of low-δ56Fe minerals during BIF genesis.

  17. Type II Cepheids in the Milky Way disc. Chemical composition of two new W Virginis stars: DD Vel and HQ Car

    NASA Astrophysics Data System (ADS)

    Lemasle, B.; Kovtyukh, V.; Bono, G.; François, P.; Saviane, I.; Yegorova, I.; Genovali, K.; Inno, L.; Galazutdinov, G.; da Silva, R.

    2015-07-01

    Context. A robust classification of Cepheids into their different sub-classes and, in particular, between classical and Type II Cepheids, is necessary to properly calibrate the period-luminosity relations and for populations studies in the Galactic disc. Type II Cepheids are, however, very diverse, and classifications based either on intrinsic (period, light curve) or external parameters (e.g., [Fe/H], | z |) do not provide a unique classification. Aims: We want to ascertain the classification of two Cepheids, HQ Car and DD Vel, that are sometimes classified as classical Cepheids and sometimes as Type II Cepheids. Methods: To achieve this goal, we examine both their chemical composition and the presence of specific features in their spectra. Results: We find emission features in the Hα and in the 5875.64 Å He I lines that are typical of W Vir stars. The [Na/Fe] (or [Na/Zn]) abundances are typical of thick-disc stars, while BL Her stars are Na-overabundant ([Na/Fe] > +0.5 dex). Finally, the two Cepheids show a possible (HQ Car) or probable (DD Vel) signature of mild dust-gas separation that is usually observed only in long-period type II Cepheids and RV Tau stars. Conclusions: These findings clearly indicate that HQ Car and DD Vel are both Type II Cepheids from the W Vir sub-class. Several studies have reported an increase in the Cepheids' abundance dispersion towards the outer (thin) disc. A detailed inspection of the Cepheid classification, in particular for those located in the outer disc, will indicate whether this feature is real or simply an artefact of the inclusion of type II Cepheids belonging to the thick disc in the current samples. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere, Chile (prog. ID: 060.A-9120 and 082.D-0901).Appendices are available in electronic form at http://www.aanda.org

  18. Microbial production of isotopically light iron(II) in a modern chemically precipitated sediment and implications for isotopic variations in ancient rocks.

    PubMed

    Tangalos, G E; Beard, B L; Johnson, C M; Alpers, C N; Shelobolina, E S; Xu, H; Konishi, H; Roden, E E

    2010-06-01

    The inventories and Fe isotope composition of aqueous Fe(II) and solid-phase Fe compounds were quantified in neutral-pH, chemically precipitated sediments downstream of the Iron Mountain acid mine drainage site in northern California, USA. The sediments contain high concentrations of amorphous Fe(III) oxyhydroxides [Fe(III)(am)] that allow dissimilatory iron reduction (DIR) to predominate over Fe-S interactions in Fe redox transformation, as indicated by the very low abundance of Cr(II)-extractable reduced inorganic sulfur compared with dilute HCl-extractable Fe. delta(56)Fe values for bulk HCl- and HF-extractable Fe were approximately 0. These near-zero bulk delta(56)Fe values, together with the very low abundance of dissolved Fe in the overlying water column, suggest that the pyrite Fe source had near-zero delta(56)Fe values, and that complete oxidation of Fe(II) took place prior to deposition of the Fe(III) oxide-rich sediment. Sediment core analyses and incubation experiments demonstrated the production of millimolar quantities of isotopically light (delta(56)Fe approximately -1.5 to -0.5 per thousand) aqueous Fe(II) coupled to partial reduction of Fe(III)(am) by DIR. Trends in the Fe isotope composition of solid-associated Fe(II) and residual Fe(III)(am) are consistent with experiments with synthetic Fe(III) oxides, and collectively suggest an equilibrium Fe isotope fractionation between aqueous Fe(II) and Fe(III)(am) of approximately -2 per thousand. These Fe(III) oxide-rich sediments provide a model for early diagenetic processes that are likely to have taken place in Archean and Paleoproterozoic marine sediments that served as precursors for banded iron formations. Our results suggest pathways whereby DIR could have led to the formation of large quantities of low-delta(56)Fe minerals during BIF genesis.

  19. Synthesis, characterization and chemical properties of 1-((E)-2-pyridinylmethylidene)semicarbazone manganese(II) and iron(II) complexes

    NASA Astrophysics Data System (ADS)

    Garbelini, Ellery Regina; Martin, Maria da Graça M. B.; Back, Davi Fernando; Evans, David John; Müller-Santos, Marcelo; Ribeiro, Ronny Rocha; Lang, Ernesto Schulz; Nunes, Fábio Souza

    2012-01-01

    Manganese(II) perchlorate and iron(II) chloride react with 2-formylpyridine semicarbazone (HCSpy) in boiling ethanol to produce [Mn II(HSCpy) 2](ClO 4) 2·C 2H 5OH and [Fe IICl(HSCpy)]Cl. The distorted octahedral manganese complex crystallizes in the triclinic system with space group P(-1). The ligand HSCpy is tridentate and is coordinated through two nitrogen and one oxygen atoms. Comparison of the bond distances with analogous transition metal complexes that have the same geometry revealed longer bonds for the manganese derivative, an outcome that correlates well with the radius of the metal ions. The iron(II) ion is tetracoordinated to one semicarbazone and one chloride. Mass spectrometry, conductivity measurements, Mössbauer, UV-VIS, FTIR and elemental analysis were all in accordance with the proposed composition and the plausible geometry of [FeCl(HSCpy)]Cl. Mass spectrometry unequivocally detected the presence of the [FeCl(HSCpy)] + ion with a m/ z of 254.97 and intensity of 2 × 10 5.

  20. Structural, spectroscopic and quantum chemical studies of acetyl hydrazone oxime and its palladium(II) and platinum(II) complexes

    NASA Astrophysics Data System (ADS)

    Kaya, Yunus; Icsel, Ceyda; Yilmaz, Veysel T.; Buyukgungor, Orhan

    2015-09-01

    Acetyl hydrazone oxime, [(1E,2E)-2-(hydroxyimino)-1-phenylethylidene]acetohydrazone (hipeahH2) and its palladium(II) and platinum(II) complexes, [M(hipeahH)2] (M = PdII and PtII), have been synthesized and characterized by elemental analysis, UV-vis IR, NMR and LC-MS techniques. X-ray diffraction analysis of [Pd(hipeahH)2] shows that the two hipeahH2 ligands are not equal; one of the ligands loses the hydrazone proton, while the other one loses the oxime proton, resulting in a different coordination behavior to form five- and six-membered chelate rings. The molecular geometries from X-ray experiments in the ground state were compared using the density functional theory (DFT) with the B3LYP method combined with the 6-311++G(d,p) basis set for the ligand and the LanL2DZ basis set for the complexes. Comprehensive theoretical and experimental structural studies on the molecule have been carried out by FT-IR, NMR and UV-vis spectrometry. In addition, the isomer studies of ligand and its complexes were made by DFT.

  1. Synthesis, physico-chemical studies of manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II) complexes with some p-substituted acetophenone benzoylhydrazones and their antimicrobial activity.

    PubMed

    Singh, Vinod P; Singh, Shweta; Katiyar, Anshu

    2009-04-01

    Complexes of the type [M(pabh)(H2O)Cl], [M(pcbh)(H2O)Cl] and [M(Hpabh)(H2O)2 (SO4)] where, M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); Hpabh = p-amino acetophenone benzoyl hydrazone and Hpcbh = p-chloro acetophenone benzoyl hydrazone have been synthesized and characterized with the help of elemental analyses, electrical conductance, magnetic susceptibility measurements, electronic, ESR and IR spectra, thermal (TGA & DTA) and X-ray diffraction studies. Co(II), Ni(II) and Cu(II) chloride complexes are square planar, whereas their sulfate complexes have spin-free octahedral geometry. ESR spectra of Cu(II) complexes with Hpabh are axial and suggest d(x(2)-y(2) as the ground state. The ligand is bidentate bonding through > C = N--and deprotonated enolate group in all the chloro complexes, whereas, >C = N and >C = O groups in all the sulfato complexes. Thermal studies (TGA & DTA) on [Cu(Hpabh)(H2O)2(SO4)] indicate a multistep decomposition pattern, which are both exothermic and endothermic in nature. X-ray powder diffraction parameters for [Co(pabh)(H2O)Cl] and [Ni(Hpabh)(H2O)2(SO4)] correspond to tetragonal and orthorhombic crystal lattices, respectively. The ligands as well as their complexes show a significant antifungal and antibacterial activity. The metal complexes are more active than the ligand.

  2. Characteristics and chemical compositions of particulate matter collected at the selected metro stations of Shanghai, China.

    PubMed

    Guo, Li; Hu, Yunjie; Hu, Qingqing; Lin, Jun; Li, Chunlin; Chen, Jianmin; Li, Lina; Fu, Hongbo

    2014-10-15

    A campaign was conducted to assess and compare the air quality at the different metro platforms at Shanghai City, focusing on particulate matter (PM) levels, chemical compositions, morphology and mineralogy, as well as species of iron. Our results indicated that the average PM₂.₅ concentrations for the three metro lines were 177.7 μg/m(3), 105.7 μg/m(3) and 82.5 μg/m(3), respectively, and the average PM1 concentrations for the three lines were 122.3 μg/m(3), 84.1 μg/m(3) and 59.6 μg/m(3), respectively. Fe, Mn, Cr, Cu, Sr, Ba and Pb concentrations in all of the sampling sites were significantly higher than that in the urban ambient air, implicating that these trace metals may be associated with the metro systems working. Individual airborne dusts were studied for morphology and mineralogy characteristics. The results revealed that the presence of most individual particles were with no definite shape and most of them were with a large metal content. Furthermore, Fe-rich particles had significantly higher abundance in the metro systems, which were more frequently encountered in the underground lines than the aboveground line. The 2D distribution map of an interested Fe-rich particle showed an uneven Fe distribution, implying that a hollow or core of other substance exists in the particle center during the formation process. Cluster analysis revealed that Fe-rich particles were possibly a mixture of Fe species. Fitting of X-ray absorption near-edge fine structure spectra (XANES) showed the main iron species within the particles collected from the three contrasting metro lines of Shanghai to be hematite, magnetite, iron-metal and mineral Fe. Hematite and mineral Fe were all found in three lines, while magnetite only existed in aboveground metro line. Iron-metal was determined in both the older and younger underground lines, based on the X-ray diffraction (XRD) analysis. As diverse Fe species have different physical-chemical characteristics and toxicity, the

  3. Chemical modification of silica gel with synthesized new Schiff base derivatives and sorption studies of cobalt (II) and nickel (II)

    NASA Astrophysics Data System (ADS)

    Kursunlu, Ahmed Nuri; Guler, Ersin; Dumrul, Hakan; Kocyigit, Ozcan; Gubbuk, Ilkay Hilal

    2009-08-01

    In this study, three Schiff base ligands and their complexes were synthesized and characterized by infrared spectroscopy (IR), thermogravimetric analyses (TGA), nuclear magnetic resonance (NMR), elemental analysis and magnetic susceptibility apparatuses. Silica gel was respectively modified with Schiff base derivatives, (E)-2-[(2-chloroethylimino)methyl]phenol, (E)-4-[(2-chloroethylimino)methyl]phenol and N, N'-[1,4-phenilendi(E)methylidene]bis(2-chloroethanamine), after silanization of silica gel by (3-aminopropyl)trimethoxysilane (APTS) by using a suitable method. Characterization of the surface modification was also performed with IR, TGA and elemental analysis. The immobilized surfaces were used for Co(II) and Ni(II) sorption from aqueous solutions and values of sorption were detected by atomic absorption spectrometer (AAS).

  4. Physical, Chemical, and Mineralogical Properties of Comet 81P/Wild 2 Particles Collected by Stardust

    SciTech Connect

    Flynn, G.

    2008-01-01

    NASA's Stardust spacecraft collected dust from the coma of Comet 81P/Wild 2 by impact into aerogel capture cells or into Al-foils. The first direct, laboratory measurement of the physical, chemical, and mineralogical properties of cometary dust grains ranging from <10-15 to ?10-4 g were made on this dust. Deposition of material along the entry tracks in aerogel and the presence of compound craters in the Al-foils both indicate that many of the Wild 2 particles in the size range sampled by Stardust are weakly bound aggregates of a diverse range of minerals. Mineralogical characterization of fragments extracted from tracks indicates that most tracks were dominated by olivine, low-Ca pyroxene, or Fe-sulfides, although one track was dominated by refractory minerals similar to Ca-Al inclusions in primitive meteorites. Minor mineral phases, including Cu-Fe-sulfide, Fe-Zn-sulfide, carbonate and metal oxides, were found along some tracks. The high degree of variability of the element/Fe ratios for S, Ca, Ti, Cr, Mn, Ni, Cu, Zn, and Ga among the 23 tracks from aerogel capture cells analyzed during Stardust Preliminary Examination is consistent with the mineralogical variability. This indicates Wild 2 particles have widely varying compositions at the largest size analyzed (>10 ?m). Because Stardust collected particles from several jets, sampling material from different regions of the interior of Wild 2, these particles are expected to be representative of the non-volatile component of the comet over the size range sampled. Thus, the stream of particles associated with Comet Wild 2 contains individual grains of diverse elemental and mineralogical compositions, some rich in Fe and S, some in Mg, and others in Ca and Al. The mean refractory element abundance pattern in the Wild 2 particles that were examined is consistent with the CI meteorite pattern for Mg, Si, Cr, Fe, and Ni to 35%, and for Ca, Ti and Mn to 60%, but S/Si and Fe/Si both show a statistically significant

  5. 77 FR 1084 - Agency Information Collection Activities Under Review; Title II of the Americans With...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-09

    .../Section 504 of the Rehabilitation Act of 1973 Discrimination Complaint Form ACTION: 30-Day Notice of... with Disabilities Act/Section 504 of the Rehabilitation Act of 1973 Discrimination Complaint Form. (3... discrimination by public entities based on disability. Under title II of the Americans with Disabilities Act,...

  6. Agricultural hydrology and water quality II: Introduction to the featured collection

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Agricultural hydrology and water quality is a multidisciplinary field devoted to understanding the interrelationship between modern agriculture and water resources. This paper summarizes a featured collection of 10 manuscripts emanating from the 2013 American Water Resources Association Specialty Co...

  7. Method for Determining Language Objectives and Criteria. Volume II. Methodological Tools: Computer Analysis, Data Collection Instruments.

    DTIC Science & Technology

    1979-05-25

    This volume presents (1) Methods for computer and hand analysis of numerical language performance data (includes examples) (2) samples of interview, observation, and survey instruments used in collecting language data. (Author)

  8. A-current and type I/type II transition determine collective spiking from common input.

    PubMed

    Barreiro, Andrea K; Thilo, Evan L; Shea-Brown, Eric

    2012-09-01

    The mechanisms and impact of correlated, or synchronous, firing among pairs and groups of neurons are under intense investigation throughout the nervous system. A ubiquitous circuit feature that can give rise to such correlations consists of overlapping, or common, inputs to pairs and populations of cells, leading to common spike train responses. Here, we use computational tools to study how the transfer of common input currents into common spike outputs is modulated by the physiology of the recipient cells. We focus on a key conductance, g(A), for the A-type potassium current, which drives neurons between "type II" excitability (low g(A)), and "type I" excitability (high g(A)). Regardless of g(A), cells transform common input fluctuations into a tendency to spike nearly simultaneously. However, this process is more pronounced at low g(A) values. Thus, for a given level of common input, type II neurons produce spikes that are relatively more correlated over short time scales. Over long time scales, the trend reverses, with type II neurons producing relatively less correlated spike trains. This is because these cells' increased tendency for simultaneous spiking is balanced by an anticorrelation of spikes at larger time lags. These findings extend and interpret prior findings for phase oscillators to conductance-based neuron models that cover both oscillatory (superthreshold) and subthreshold firing regimes. We demonstrate a novel implication for neural signal processing: downstream cells with long time constants are selectively driven by type I cell populations upstream and those with short time constants by type II cell populations. Our results are established via high-throughput numerical simulations and explained via the cells' filtering properties and nonlinear dynamics.

  9. The promising chemical kinetics for the simulation of propane-air combustion with KIVA-II code

    NASA Technical Reports Server (NTRS)

    Ying, S. J.; Gorla, Rama S. R.; Kundu, Krishna P.

    1993-01-01

    The development of chemical kinetics for the simulation of propane-air combustion with the use of computer code KIVA-II since 1989 is summarized here. In order to let readers understand the general feature well, a brief description of the KIVA-II code, specially related with the chemical reactions is also given. Then the results of recent work with 20 reaction mechanism is presented. It is also compared with the 5 reaction mechanism. It may be expected that the numerical stability of the 20 reaction mechanism is better as compared to that of 5 reaction mechanism, but the CPU time of the CRAY computer is much longer. Details are presented in the paper.

  10. Spectroscopic and quantum chemical study of the structure of a new paramagnetic dimeric palladium(II,III) complex with creatine

    NASA Astrophysics Data System (ADS)

    Mitewa, Mariana; Enchev, Venelin; Bakalova, Tatyana

    2002-05-01

    The structure and coordination mode of the newly synthesized dimeric paramagnetic Pd(II,III) complex are studied using magneto-chemical, EPR and IR spectroscopic methods. In order to perform reliable assignment of the IR bands, the structure and IR spectrum of the free creatine were calculated using ab initio method. For calculation of the configuration of its deprotonated and doubly deprotonated forms the semiempirical AM1 method was used.

  11. Vesicle-based method for collecting, manipulating, and chemically processing trace macromolecular species

    DOEpatents

    Davalos, Rafael V.; Ellis, Christopher R. B.

    2010-08-17

    Disclosed is an apparatus and method for inserting one or several chemical or biological species into phospholipid containers that are controlled within a microfluidic network, wherein individual containers are tracked and manipulated by electric fields and wherein the contained species may be chemically processed.

  12. Vesicle-based method and apparatus for collecting, manipulating, and chemically processing trace macromolecular species

    DOEpatents

    Davalos, Rafael V.; Ellis, Christopher R. B.

    2008-03-04

    Disclosed is an apparatus and method for inserting one or several chemical or biological species into phospholipid containers that are controlled within a microfluidic network, wherein individual containers are tracked and manipulated by electric fields and wherein the contained species may be chemically processed.

  13. Odor and chemical emissions from dairy and swine facilities: Part 1 - project overview and collection methods

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Livestock facilities have received numerous criticisms due to their emissions of odorous air and chemicals. Hence, there is a significant need for odor emission factors and identification of principle odorous chemicals. Odor emission factors are used as inputs to odor setback models, while chemica...

  14. EPCRA Instructions to the Tier II Emergency and Hazardous Chemical Inventory Form

    EPA Pesticide Factsheets

    The form is required for Tier Two reporting of hazardous chemicals in quantities equal to or greater than established threshold amounts. Sections include chemical description, hazard categories from both EPA and OSHA, and storage details.

  15. Sample Collection Information Document for Chemical & Radiochemical Analytes – Companion to Selected Analytical Methods for Environmental Remediation and Recovery (SAM) 2012

    EPA Pesticide Factsheets

    Sample Collection Information Document is intended to provide sampling information to be used during site assessment, remediation and clearance activities following a chemical or radiological contamination incident.

  16. Temporal and spatial trends of chemical composition of wet deposition samples collected in Austria

    NASA Astrophysics Data System (ADS)

    Schreiner, Elisabeth; Kasper-Giebl, Anne; Lohninger, Hans

    2016-04-01

    Triggered by the occurrence of acid rain a sampling network for the collection of wet deposition samples was initiated in Austria in the early 1980s. Now the data set covers a time period of slightly more than 30 years for the stations being operable since the beginning. Sampling of rain water and snow was and is performed with Wet and Dry Only Samplers (WADOS) on a daily basis. Chemical analysis of rain water and snow samples comprised anions (chloride, nitrate, sulfate) and cations (sodium, ammonium, potassium, calcium and magnesium) as well as pH and electrical conductivity. Here we evaluate and discuss temporal trends of both, ion concentrations and wet deposition data for twelve sampling stations, which were operable for most of the observation period of 30 years. As expected concentrations and wet deposition loads of sulfate and acidity decreased significantly during the last three decades - which is also reflected by a strong decrease of sulfur emissions in Austria and neighboring countries. Regarding nitrate the decrease of concentrations and wet deposition loads is less pronounced. Again this is in accordance with changes in emission data. In case of ammonium even less stations showed a significant decrease of annual average concentrations and depositions. Reasons for that might be twofold. On one hand emissions of ammonia did not decrease as strongly as e.g. sulfur emissions. Furthermore local sources will be more dominant and can influence the year to year variability. Seasonality of ion concentrations and deposition loads were investigated using Fourier analysis. Sulfate, nitrate, ammonium, acidity and also precipitation amount showed characteristic seasonal patterns for most of the sites and for concentrations as well as deposition loads. However the maxima in ion concentrations and deposition loads were observed during different times of the year. Concentrations of basic cations and chloride, on the contrary, hardly showed any seasonality. However, as

  17. Chemical Characterization of Dew Water Collected in Different Geographic Regions of Poland

    PubMed Central

    Polkowska, Żaneta; Błaś, Marek; Klimaszewska, Kamila; Sobik, Mieczysław; Małek, Stanisław; Namieśnik, Jacek

    2008-01-01

    The results of a dew monitoring program performed in Poland with the aim to outline the chemical composition of dew water in meteorological context are presented. Dew samples were collected from eight measurement stations from August 2004 to November 2006. Taking into account the type of land use and characteristics of pollutant emission, sampling sites were divided into the following categories: rural, coastal urban and inland urban stations. Selected anions and cations as well as formaldehyde and sum of phenols were determined. The average TIC (Total Inorganic Ionic Content) values in dew samples ranged from 0.83 to 3.93 between individual stations with 10.9 meq/L as the highest daily value of TIC measured. The average TIC values observed in dew at all stations were at a similar level (2.46 meq/L) when compared with hoarfrost (2.86 meq/L). However, these values were much higher in comparison with other kinds of atmospheric water like precipitation (wet only; 0.37 meq/L) or fog/cloud (1.01 meq/L). The pH values of dew water ranged from 5.22 to 7.35 for urban coastal stations, from 5.67 to 8.02 for urban inland stations and from 4.16 to 8.76 for dew samples collected in the rural area. HCHO was found in 97 % of dew samples, with concentrations ranging from 0.010 to 5.40 meq/L. Excluding stations near the seashore, where the contribution of Na+ and Cl- increased, the most important ions were sulphates. A very low contribution of NO3- and noticeable increase of Ca2+ which were not observed in the case of precipitation and fog water, were typical in all stations. The contribution of ammonium ion was two times higher at rural stations as a result of agricultural ammonia emissions. The strongest correlations were noticed between the sum of acidifying anions SO42- + NO3- and Ca2+ ion for all urban and rural stations. A very strong correlation was also observed for Na+ and Cl- ions in urban coastal stations, as a natural consequence of the location of these stations close

  18. Measurement of Organic and Inorganic Chemical Tracers for Source Apportionment of Tropospheric Aerosols Collected During the ACE-Asia Experiment

    NASA Astrophysics Data System (ADS)

    Schauer, J. J.; Park, J.; Duvall, R.; Bae, M.; Shafer, M. M.; Chuang, P.; Chuang, P.; Kim, Y. J.

    2001-12-01

    Naturally occurring dust and anthropogenic air pollutants are important contributors to tropospheric aerosols and impact air quality and the radiative balance of the Earth's atmosphere. In order to better understand the relationship between the origin, chemical composition and ultimate impact of Asian aerosols on climate forcing, aerosol samples were collected as part of the ACE-Asia experiment for detailed chemical analysis. Atmospheric particulate matter samples were collected from March 27, 2001 through May 6, 2001 at the ACE-Asia ground station located on Cheju Island, Korea. During this period, this region is impacted by anthropogenic air pollution emissions from highly urbanized region of Asia and by desert dust originating from northeastern Asia. As part of the experiment, atmospheric particulate matter samplers were also collected in urban and desert locations in Asia that represent regional sources of particulate matter in Asia. Size resolved aerosol samples were analyzed for trace metals by using microwave assisted-acid digestion and ICP-MS analysis, speciated organic compounds using solvent extraction and GC-MS analysis, as well as soluble ions and elemental and organic carbon (ECOC). These measurements provide fingerprints for source apportionment of the atmospheric particulate matter samples collected at the Cheju Island sampling site. The use of these chemical tracers for apportionment of wind-driven long range transported desert dust, local crustal derived dust, biogenically and anthropogenically derived sulfate, specific urban combustion source, and fossil fuel combustion will be presented.

  19. Kinetic studies of Cd (II) and Pb (II) ions biosorption from aqueous media using untreated and chemically treated biosorbents.

    PubMed

    Bakyayita, G K; Norrström, A C; Nalubega, M; Kulabako, R N

    2014-01-01

    Untreated and chemically treated Albizia coriaria, Erythrina abyssinica and Musa spp. were studied in batch for uptake of Cd(2+) and Pb(2+) ions at pH 2.0-9.0 and agitation time of 30-390 min. Optimum biosorption conditions were pH 4 for Pb(2+) ions and pH 5 for Cd(2+) ions, contact time was 3.5 hours at 24 ± 1 °C for 10 mg/L biosorbent dosage and initial metal ions concentration of 20 mg/L. Chemical treatment had a 10-17% biosorption efficiency enhancement for Cd(2+) ions and a 1.6-2.3% reduction effect for Pb(2+) ions. The sorption capacities for Cd(2+) and Pb(2+) ions for treated biosorbents were 1.760-1.738 mg g(-1) compared to 1.415-1.539 mg g(-1) for untreated materials. The pseudo second-order model suitably fitted the Cd(2+) and Pb(2+) ions biosorption data with regression coefficients (R(2)) of 0.9784-0.9999. Fitting of the Ho model to the experimental data showed that the biosorption mechanism for both metal ions studied was mainly a chemisorption process. Therefore, treated A. coriaria, E. abyssinica and Musa spp. were potential biosorbents for remediation of Cd(2+) ions and the untreated materials suitable for removing Pb(2+) ions from contaminated aqueous media.

  20. Evaluating the environmental hazard of industrial chemicals from data collected during the REACH registration process.

    PubMed

    Gustavsson, Mikael B; Hellohf, Andreas; Backhaus, Thomas

    2017-05-15

    Registration dossiers for 11,678 industrial chemicals were retrieved from the database of the European Chemicals Agency, of which 3566 provided a numerical entry for the corresponding predicted no effect concentration for the freshwater environment (PNEC). A distribution-based examination of 2244 of these entries reveals that the average PNEC of an industrial chemical in Europe is 238nmol/L, covering a span of 9 orders of magnitude. A comparison with biocides, pesticides, pharmaceuticals and WFD-priority pollutants reveals that, in average, industrial chemicals are least hazardous (hazard ranking: industrial chemicals≪pharmaceuticalschemicals have a lower environmental threshold than the median pesticide and 73 have a lower environmental threshold than even the median biocide. Industrial chemicals produced and/or imported in higher tonnages have, on average, higher PNECs which most likely is due to the lower assessment factors used for the PNEC determination. This pattern indicates that the initial AF of 1000 comprises a measure of conservatism. The vast majority of PNEC values are driven by EC50 and NOEC data from tests with Daphnia magna. Tests with marine species are rarely provided for the hazard characterization of industrial chemicals.

  1. User Centered System Design. Part II: Collected Papers from the UCSD HMI Project.

    ERIC Educational Resources Information Center

    California Univ., San Diego, La Jolla. Inst. for Cognitive Science.

    This report is a collection of 11 recent papers by the Human-Machine Interaction Group at the University of California, San Diego. The following papers are included: (1) "Stages and Levels in Human-Machine Interaction," Donald A. Norman; (2) "The Nature of Expertise in UNIX," Stephen W. Draper; (3) "Users in the Real…

  2. Translational research in pediatrics II: blood collection, processing, shipping, and storage.

    PubMed

    Gillio-Meina, Carolina; Cepinskas, Gediminas; Cecchini, Erin L; Fraser, Douglas D

    2013-04-01

    Translational research often involves tissue sampling and analysis. Blood is by far the most common tissue collected. Due to the many difficulties encountered with blood procurement from children, it is imperative to maximize the quality and stability of the collected samples to optimize research results. Collected blood can remain whole or be fractionated into serum, plasma, or cell concentrates such as red blood cells, leukocytes, or platelets. Serum and plasma can be used for analyte studies, including proteins, lipids, and small molecules, and as a source of cell-free nucleic acids. Cell concentrates are used in functional studies, flow cytometry, culture experiments, or as a source for cellular nucleic acids. Before initiating studies on blood, a thorough evaluation of practices that may influence analyte and/or cellular integrity is required. Thus, it is imperative that child health researchers working with human blood are aware of how experimental results can be altered by blood sampling methods, times to processing, container tubes, presence or absence of additives, shipping and storage variables, and freeze-thaw cycles. The authors of this review, in an effort to encourage and optimize translational research using blood from pediatric patients, outline best practices for blood collection, processing, shipment, and storage.

  3. West Hackberry Strategic Petroleum Reserve site brine-disposal monitoring, Year I report. Volume II. Physical and chemical oceanography. Final report

    SciTech Connect

    DeRouen, L.R.; Hann, R.W.; Casserly, D.M.; Giammona, C.; Lascara, V.J.

    1983-02-01

    This project centers around the Strategic Petroleum Site (SPR) known as the West Hackberry salt dome which is located in southwestern Louisiana, and which is designed to store 241 million barrels of crude oil. Oil storage caverns are formed by injecting water into salt deposits, and pumping out the resulting brine. Studies described in this report were designed as follow-on studies to three months of pre-discharge characterization work, and include data collected during the first year of brine leaching operations. The objectives were to: (1) characterize the environment in terms of physical, chemical and biological attributes; (2) determine if significant adverse changes in ecosystem productivity and stability of the biological community are occurring as a result of brine discharge; and (3) determine the magnitude of any change observed. Contents of Volume II include: introduction; physical oceanography; estuarine hydrology and hydrography; analysis of discharge plume; and water and sediment quality.

  4. Collective dynamics of chemically active particles trapped at a fluid interface.

    PubMed

    Domínguez, Alvaro; Malgaretti, P; Popescu, M N; Dietrich, S

    2016-10-12

    Chemically active colloids generate changes in the chemical composition of their surrounding solution and thereby induce flows in the ambient fluid which affect their dynamical evolution. Here we study the many-body dynamics of a monolayer of spherically symmetric active particles trapped at a fluid-fluid interface. To this end we consider a model for the large-scale spatial distribution of particles which incorporates the direct pair interaction (including also the capillary interaction which is caused specifically by the interfacial trapping) as well as the effect of hydrodynamic interactions (including the Marangoni flow induced by the response of the interface to the chemical activity). The values of the relevant physical parameters for typical experimental realizations of such systems are estimated and various scenarios, which are predicted by our approach for the dynamics of the monolayer, are discussed. In particular, we show that the chemically-induced Marangoni flow can prevent the clustering instability driven by the capillary attraction.

  5. 78 FR 17680 - Information Collection Request; Chemical Facility Anti-Terrorism Standards Personnel Surety Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-03-22

    ... areas or critical assets. There are also certain groups of persons that the Department does not consider... their SSPs or ASPs to allow large numbers of visitors who visit the high-risk chemical...

  6. Mass Spectrometric Determination of Chemical Warfare Agents in Indoor Sample Media Typically Collected During Forensic Investigations

    DTIC Science & Technology

    2005-10-01

    la lutte contre le terrorisme. On s’attend A ce que continue la mise au point et l’application de la spectrom~trie de masse en tandem aux...terrorist use of weapons of mass destruction was the establishment of the Chemical, biological , radiological and nuclear Research and Technology Initiative...CRTI). This research-oriented organization originally formed three clusters to deal with the challenges associated with each of chemical, biological

  7. Effect of drug precursors and chemicals relevant to clandestine laboratory investigation on plastic bags used for collection and storage.

    PubMed

    Michelot, Harmonie; Fu, Shanlin; Stuart, Barbara; Shimmon, Ronald; Raymond, Tony; Crandell, Tony; Roux, Claude

    2017-04-01

    In the area of clandestine laboratory investigations, plastic bags are used to collect and store evidence, such as solvents, precursors, and other compounds usually employed for the manufacturing of drugs (although liquids may be stored in glass containers within the bags first). In this study, three different types of plastic bags were provided by the NSW Police Force and investigated for their suitability for evidence collection: two different types of low-density polyethylene (LDPE) bags and one type of polyvinyl chloride (PVC) bag. Three different experiments were carried out: (1) storing relevant chemicals in the bags for up to three months; (2) exposing the bags including their content to accelerated conditions using a weatherometer, and (3) simulating an expected real case scenario. This study indicates that drugs and related chemicals stored in plastic bags may lead to a change in the composition of the chemical and an alteration or degradation of the plastic bag. All experiments led to the same conclusion: the polyvinyl chloride bags appeared to be the most affected. LDPE bags seem to be more appropriate for routine use, although it has been established they are not suitable for the collection of liquids (unless pre-packaged in, for instance, a glass container).

  8. Spatial and temporal variations of chemicals in the TSP aerosols simultaneously collected at three islands in Okinawa, Japan

    NASA Astrophysics Data System (ADS)

    Arakaki, Takemitsu; Azechi, Sotaro; Somada, Yuka; Ijyu, Moriaki; Nakaema, Fumiya; Hitomi, Yuya; Handa, Daishi; Oshiro, Yoshito; Miyagi, Youichi; Tsuhako, Ai; Murayama, Hitomi; Higaonna, Yumi; Tanahara, Akira; Itoh, Akihide; Fukushima, Soko; Higashi, Kazuaki; Henza, Yui; Nishikawa, Rin; Shinjo, Hibiki; Wang, Hongyan

    2014-11-01

    East Asia's rapid economic growth has led to concerns about the emission of air pollutants. We collected total suspended particle (TSP) aerosol samples simultaneously at three islands in Okinawa, Japan, which are downwind of East Asia, during the Asian dust season, to examine the spatial and temporal variations and chemical transformations of major chemicals in the aerosols. Weekly samples were collected from July 2008 to June 2010, and the concentrations of water-soluble cations, anions, and organic carbon (WSOC) were determined (n = 303). Spatial distribution analysis showed that monthly mean concentrations of non-sea-salt (nss)-SO42- in the spring (Asian dust season) decreased with increasing distance from Asia, while the trend for NO3- was less evident, suggesting that chemical transformation affected the long-range transport of certain chemicals. Temporal variation analysis showed that concentrations of nss-SO42-, NO3-, and WSOC during the spring were about 2.0, 2.4, and 1.8 times those in the summer (cleaner air mass from the Pacific Ocean), respectively. This study demonstrated that air pollutants were transported from the Asian continent to the Okinawa islands and affected the air quality in the region. There may also be impacts on ecosystems, because increased concentrations of particulate NO3- could increase nutrient levels around the Okinawa islands.

  9. Environmental Technology Verification Report: Grouts for Wastewater Collection Systems, Avanti International AV-118 Acrylic Chemical Grout

    EPA Science Inventory

    Municipalities are discovering rapid degradation of infrastructures in wastewater collection and treatment facilities due to the infiltration of water from the surrounding environments. Wastewater facilities are not only wet, but also experience hydrostatic pressure conditions un...

  10. Initial chemical and biological characterization of hydrotreated solvent refined coal (SRC-II) liquids: a status report

    SciTech Connect

    Weimer, W.C.; Wilson, B.W.; Pelroy, R.A.; Craun, J.C.

    1980-07-01

    This report presents the results of both chemical and biomedical research performed on a solvent refined coal (SRC-II) research material (distillate blend) which was produced by the pilot plant facility at Fort Lewis, Washington. Samples of this distillate blend were subjected to research-scale hydrotreatment by Universal Oil Products, Inc., prior to chemical and biological analysis at PNL. The samples are considered to be, in general, generically representative of raw or hydrotreated materials which might be produced by demonstration or commercial-scale facilities. The above described feedstock and hydrotreated materials were analyzed for chemical composition both prior to and after chemical fractionation. The fractionation procedure used was an acid-base-neutral solvent extraction. The fractions produced, as well as the unfractionated materials, were subjected to microbial mutagenesis testing (Ames assay) and to further chemical analysis. The principal components of the unmodified distillate blend are two and three ringed aromatic and heteroatomic species together with high concentrations of phenolic and polynuclear aromatic components relative to typical levels found in petroleum crudes. The Ames assay mutagenic response for the unfractionated material, as well as the fractions produced by the solvent separation, was reduced considerably in the hydrotreated materials compared to that of the feedstock. Total mutagenic response for the hydrotreated products was approximately 1% of that in the untreated feedstock. The concentrations of two important genetically active compound classes, the polynuclear aromatic hydrocarbons and the primary aromatic amines, were considerably reduced in both of the hydrotreated products compared to the feedstock.

  11. Unlike other chemicals, etoposide (a topoisomerase-II inhibitor) produces peak mutagenicity in primary spermatocytes of the mouse.

    PubMed

    Russell, L B; Hunsicker, P R; Johnson, D K; Shelby, M D

    1998-05-25

    The cancer chemotherapy agent, and topoisomerase-II inhibitor, etoposide (VP-16) produced both recessive mutations at specific loci and dominants at other loci with peak frequencies in primary spermatocytes, a cell type in which the topo-II gene has been shown to be activated. Etoposide thus differs from all other chemicals whose germ-cell-stage specificity has been analyzed. No effects of etoposide exposure of spermatogonial stem cells ( approximately 15, 000 offspring scored) were detectable by either mutagenicity or productivity endpoints. The significant mutagenic response that followed exposure of poststem-cell stages ( approximately 25,000 offspring scored) showed a clear peak, with three of four specific-locus mutants, and three of four dominant mutants conceived during weeks 4 or 5 (days 22-35) post-injection, a period that also encompassed the dominant-lethal peak. For this period, the induced specific-locus rate (with 95% confidence limits) at a weighted-average exposure of 75.1 mg etop/kg was 59.5 (14.6, 170. 9)x10-6/locus. At least 3 of the 4 specific-locus mutations were deletions, paralleling findings with etoposide or analogs in other test systems where a recombinational origin of the deletions has been suggested. Because, unlike other chemicals that induce deletions in male germ cells, etoposide is effective in stages normally associated with recombinational events, it will be of interest to determine whether this chemical can affect meiotic recombination.

  12. TESTING DUPLICATE DIET SAMPLE COLLECTION METHODS FOR MEASURING PERSONAL DIETARY EXPOSURES TO CHEMICAL CONTAMINANTS

    EPA Science Inventory

    Dietary ingestion may be a significant pathway of human exposure to many potentially toxic chemicals. The U.S.Environmental Protection Agency-National Human Exposure Laboratory has made the development of methods for measuring persoanl dietary exposures a high priority for its di...

  13. CHEMICALLY BONDED CEMENTS FROM BOILER ASH AND SLUDGE WASTES. PHASE II REPORT, SEPT.1998-JULY 1999.

    SciTech Connect

    SUGAMA,T.YAGER,K.A.BLANKENHORN,D.

    1999-08-01

    Based upon the previous Phase I research program aimed at looking for ways of recycling the KeySpan-generated wastes, such as waste water treatment sludge (WWTS) and bottom ash (BA), into the potentially useful cementitious materials called chemically bonded cement (CBC) materials, the emphasis of this Phase II program done at Brookhaven National Laboratory, in a period of September 1998 through July 1999, was directed towards the two major subjects: One was to assess the technical feasibility of WWTS-based CBC material for use as Pb-exchange adsorbent (PEA) which remediates Pb-contaminated soils in the field; and the other was related to the establishment of the optimum-packaging storage system of dry BA-based CBC components that make it a promising matrix material for the steam-cured concrete products containing sand and coarse aggregate. To achieve the goal of the first subject, a small-scale field demonstration test was carried out. Using the PEA material consisting of 30 wt% WWTS, 13 wt% Type I cement and 57 wt% water, the PES slurry was prepared using a rotary shear concrete mixer, and then poured on the Pb-contaminated soil. The PEA-to-soil ratio by weight was a factor of 2.0. The placed PEA slurry was blended with soil using hand mixing tools such as claws and shovels. The wettability of soils with the PEA was very good, thereby facilitating the soil-PEA mix procedures. A very promising result was obtained from this field test; in fact, the mount of Pb leached out from the 25-day-aged PEA-treated soil specimen was only 0.74 mg/l, meeting the requirement for EPA safe regulation of < 5 mg/l. In contrast, a large amount (26.4 mg/l) of Pb was detected from the untreated soil of the same age. Thus, this finding demonstrated that the WWTS-based CBC has a potential for use as PEA material. Regarding the second subject, the dry-packed storage system consisting of 68.7 wt% BA, 13.0 wt% calcium aluminate cement (CAC), 13.0 wt% Type I portland cement and 5.3 wt

  14. A new technology for harnessing the dye polluted water and dye collection in a chemical factory.

    PubMed

    Pu, J P; Pu, P M; Hu, C H; Qian, J L; Pu, J X; Hua, J K

    2001-04-01

    A new technology for harnessing the dye polluted water and dye collection was developed. It is based on the enhanced evaporation by using solar, wind and air temperature energy and additional heat-electric energy. It consists of four parts: (1) evaporation carrier system (evaporation carrier and frame for evaporation carrier) for polluted water; (2) polluted water circulating system (pumping-spraying-collecting); (3) heating system; (4) workshop with polluted water reservoir-tanks and rainfall prevention roof. The polluted water was (heated in case necessary) sprayed to the evaporation carrier system and the water was evaporated when it moved in the space and downward along the carrier mainly by using natural (solar, wind and air temperature energy). In case, when there is no roof for the carrier system, the polluted water can be stored in the reservoirs (storage volume for about 20 days). The first 10-25 mm rainfall also need to be stored in the reservoirs to meet the state standard for discharging wastewater. The dye may be collected at the surface in the reservoir-tanks and the crystallized salt may be collected at the bottom plate. The black-color wastewater released by the factory is no more discharged to the surface water system of Taihu Lake Basin. About 2 kg dye and 200 kg industrial salt may be collected from each tone of the polluted water. The non-pollution production of dye may be realized by using this technology with environmental, economical and social benefits.

  15. Synthesis, Spectroscopic, Structural and Quantum Chemical Studies of a New Imine Oxime and Its Palladium(II) Complex: Hydrolysis Mechanism.

    PubMed

    Kaya, Yunus; Yilmaz, Veysel T; Buyukgungor, Orhan

    2016-01-21

    In this work, we report synthesis, crystallographic, spectroscopic and quantum chemical studies of a new imine oxime, namely (4-nitro-phenyl)-(1-phenyl-ethylimino)-acetaldehyde oxime (nppeieoH). Spectroscopic and X-ray diffraction studies showed that nppeieoH is hydrolyzed in aqueous solution, forming nitroisonitrosoacetophenone (ninap) and the hydrolysis product binds to Pd(II) to yield [Pd(nppeieo)(ninap)]. The mechanism of the hydrolysis reaction has been theoretically investigated in detail, using density functional theory (DFT) with the B3LYP method. The vibrational and the electronic spectra of nppeieoH and its Pd(II) complex, the HOMO and LUMO analysis, Mulliken atomic charges and molecular electrostatic potential were also performed. The predicted nonlinear optical properties of both compounds are higher than those of urea.

  16. Chemical speciation of size-segregated floor dusts and airborne magnetic particles collected at underground subway stations in Seoul, Korea.

    PubMed

    Jung, Hae-Jin; Kim, BoWha; Malek, Md Abdul; Koo, Yong Sung; Jung, Jong Hoon; Son, Youn-Suk; Kim, Jo-Chun; Kim, HyeKyoung; Ro, Chul-Un

    2012-04-30

    Previous studies have reported the major chemical species of underground subway particles to be Fe-containing species that are generated from wear and friction processes at rail-wheel-brake and catenaries-pantographs interfaces. To examine chemical composition of Fe-containing particles in more details, floor dusts were collected at five sampling locations of an underground subway station. Size-segregated floor dusts were separated into magnetic and non-magnetic fractions using a permanent magnet. Using X-ray diffraction (XRD) and scanning electron microscopy/energy dispersive X-ray spectrometry (SEM/EDX), iron metal, which is relatively harmless, was found to be the dominating chemical species in the floor dusts of the <25 μm size fractions with minor fractions of Mg, Al, Si, Ca, S, and C. From SEM analysis, the floor dusts of the <25 μm size fractions collected on railroad ties appeared to be smaller than 10 μm, indicating that their characteristics should somewhat reflect the characteristics of airborne particles in the tunnel and the platform. As most floor dusts are magnetic, PM levels at underground subway stations can be controlled by removing magnetic indoor particles using magnets. In addition, airborne subway particles, most of which were smaller than 10 μm, were collected using permanent magnets at two underground subway stations, namely Jegi and Yangjae stations, in Seoul, Korea. XRD and SEM/EDX analyses showed that most of the magnetic aerosol particles collected at Jegi station was iron metal, whereas those at Yangjae station contained a small amount of Fe mixed with Na, Mg, Al, Si, S, Ca, and C. The difference in composition of the Fe-containing particles between the two subway stations was attributed to the different ballast tracks used.

  17. 75 FR 42133 - Agency Information Collection Activities: Proposed Collection; Comments Requested: Application...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-20

    ...: Application for Procurement Quota for Controlled Substances and Ephedrine, Pseudoephedrine, and.../Collection: Application for Procurement Quota for Controlled Substances and Ephedrine, Pseudoephedrine, and... of controlled substances listed in Schedule I or II or the List I chemicals...

  18. Screening of novel chemical compounds as possible inhibitors of carbonic anhydrase and photosynthetic activity of photosystem II.

    PubMed

    Karacan, Mehmet Sayım; Zharmukhamedov, Sergei K; Mamaş, Serhat; Kupriyanova, Elena V; Shitov, Alexandr V; Klimov, Vyacheslav V; Özbek, Neslihan; Özmen, Ümmühan; Gündüzalp, Ayla; Schmitt, Franz-Josef; Karacan, Nurcan; Friedrich, Thomas; Los, Dmitry A; Carpentier, Robert; Allakhverdiev, Suleyman I

    2014-08-01

    Thirty novel chemical compounds were designed and synthesized expecting that they would be possible inhibitors. From this number eleven were organic bases, twenty-four were their organic derivatives and fourteen were metal complexes. Screening of these chemicals by their action on photosynthetic electron transfer (PET) and carbonic anhydrase (CA) activity (CAA) of photosystem II (PSII), α-CA, as well as β-CA was done. Several groups were revealed among them. Some of them are capable to suppress either one, two, three, or even all of the measured activities. As example, one of the Cu(II)-phenyl sulfonylhydrazone complexes (compound 25) suppresses CAA of α-CA by 88%, CAA of β-CA by 100% inhibition; CAA of PSII by 100% and the PSII photosynthetic activity by 66.2%. The Schiff base compounds (12, 15) and Cu(II)-phenyl sulfonylhydrazone complexes (25, 26) inhibited the CAA and PET of PSII significantly. The obtained data indicate that the PSII donor side is a target of the inhibitory action of these agents. Some physico- or electrochemical properties such as diffusion coefficient, number of transferred electrons, peak potential and heterogeneous standard rate constants of the compounds were determined in nonaqueous media. pKa values were also determined in nonaqueous and aqueous media. Availability in the studied group of novel chemical agents possessing different inhibitory activity allow in future to isolate the "active part" in the structure of the inhibitors responsible for different inhibitory mechanisms, as well as to determine the influence of side substituters on its inhibitory efficiency.

  19. Insertion of a magnesium(II)-octacarboranyl(hexylsulfanyl) porphyrazine into liposomes: a physico-chemical study.

    PubMed

    Salvati, Anna; Ristori, Sandra; Pietrangeli, Daniela; Oberdisse, Julian; Calamai, Luca; Martini, Giacomo; Ricciardi, Giampaolo

    2007-12-01

    The synthesis, characterization and liposome insertion of a novel magnesium(II) carboranyl-porphyrazine, i.e. [2,3,7,8,12,13,17,18-octakis-(1,2-dicarba-closo-dodecaboranyl)-hexylthio-5,10,15,20-porphyrazine]magnesium(II) complex, MgHECSPz, are described. MgHECSPz was designed to improve the potentiality in multiple approach anticancer therapy. Liposomal formulations with different surface charge were prepared as delivering agents. The obtained loaded vectors were characterized by DLS, SAXS, SANS and zeta potential measurements in order to define the overall properties and structural details of loaded liposomes.

  20. Characterizing Materials Sources and Sinks; Current Approaches: Part II. Chemical and Physical Characterization

    EPA Science Inventory

    The paper discusses methods for characterizing chemical emissions from material sources, including laboratory, dynamic chamber, and full-scale studies. Indoor sources and their interaction with sinks play a major role in determining indoor air quality (IAQ). Techniques for evalua...

  1. Parallel implementation of efficient preconditioned linear solver for grid-based applications in chemical physics. II: QMR linear solver

    NASA Astrophysics Data System (ADS)

    Chen, Wenwu; Poirier, Bill

    2006-11-01

    Linear systems in chemical physics often involve matrices with a certain sparse block structure. These can often be solved very effectively using iterative methods (sequence of matrix-vector products) in conjunction with a block Jacobi preconditioner [B. Poirier, Numer. Linear Algebra Appl. 7 (2000) 715]. In a two-part series, we present an efficient parallel implementation, incorporating several additional refinements. The present study (paper II) indicates that the basic parallel sparse matrix-vector product operation itself is the overall scalability bottleneck, faring much more poorly than the specialized, block Jacobi routines considered in a companion paper (paper I). However, a simple dimensional combination scheme is found to alleviate this difficulty.

  2. The international register of potentially toxic chemicals : Challenges of data collection in the field of toxicology.

    PubMed

    Caroli, S; Menditto, A; Chiodo, F

    1996-06-01

    The benefits and drawbacks consequent to the widespread use of chemicals are inextricably interwoven. According to recent estimates, more than 8 million substances are presently known, 70,000 of which are in common use as industrial compounds, pesticides, Pharmaceuticals, food additives, cosmetics and the like. It is estimated that substances used as such will increase annually by 1000 in number. The deleterious consequences deriving from their exploitation pose tremendous challenges to the scientific community for the protection of human health and the environment. Therefore it is of utmost priority to appropriately select valid information generated in this investigation area and to convey it correctly to users. Here, the adoption of the principles of good laboratory practice in experimental activities is essential, as well as the creation of global networks for data exchange on the safe use of chemicals. The structure and goals of the International Register of Potentially Toxic Chemicals (IRPTC, the database of the United Nations Environment Programme) are detailed to give an example of such an undertaking. Seventeen fields are covered,i.e. identifiers, properties and classification, production/trade, production processes, use, pathways into the environment, concentrations, environmental fate tests, environmental fate, chemobiokinetics, mammalian toxicity, special toxicity studies, effects on organisms in the environment, sampling/preparation/analysis, spills, treatment of poisoning, waste management and recommendations/legal mechanisms.

  3. Biogeography of Actinomycete Communities and Type II Polyketide Synthase Genes in Soils Collected in New Jersey and Central Asia▿

    PubMed Central

    Wawrik, Boris; Kutliev, Djumaniyaz; Abdivasievna, Urinova A.; Kukor, Jerome J.; Zylstra, Gerben J.; Kerkhof, Lee

    2007-01-01

    Soil microbial communities are believed to be comprised of thousands of different bacterial species. One prevailing idea is that “everything is everywhere, and the environment selects,” implying that all types of bacteria are present in all environments where their growth requirements are met. We tested this hypothesis using actinomycete communities and type II polyketide synthase (PKS) genes found in soils collected from New Jersey and Uzbekistan (n = 91). Terminal restriction fragment length polymorphism analysis using actinomycete 16S rRNA and type II PKS genes was employed to determine community profiles. The terminal fragment frequencies in soil samples had a lognormal distribution, indicating that the majority of actinomycete phylotypes and PKS pathways are present infrequently in the environment. Less than 1% of peaks were detected in more than 50% of samples, and as many as 18% of the fragments were unique and detected in only one sample. Actinomycete 16S rRNA fingerprints clustered by country of origin, indicating that unique populations are present in North America and Central Asia. Sequence analysis of type II PKS gene fragments cloned from Uzbek soil revealed 35 novel sequence clades whose levels of identity to genes in the GenBank database ranged from 68 to 92%. The data indicate that actinomycetes are patchily distributed but that distinct populations are present in North American and Central Asia. These results have implications for microbial bioprospecting and indicate that the cosmopolitan actinomycete species and PKS pathways may account for only a small proportion of the total diversity in soil. PMID:17337547

  4. Oxidative damage induced in A549 cells by physically and chemically characterized air particulate matter (PM2.5) collected in Abidjan, Côte d'Ivoire.

    PubMed

    Kouassi, Kouakou S; Billet, Sylvain; Garçon, Guillaume; Verdin, Anthony; Diouf, Amadou; Cazier, Fabrice; Djaman, Joseph; Courcot, Dominique; Shirali, Pirouz

    2010-05-01

    Exposure to high levels of air pollution particulate matter (PM) is strongly associated with increased pulmonary morbidity and mortality. However, the underlying mechanisms of action whereby PM cause adverse health effects are still unclear. In developing countries, like in the sub-Saharian region of Africa, people are often exposed to high PM levels. Hence, three PM(2.5) samples were collected in the District of Abidjan (Côte d'Ivoire), under rural, urban or industrial influences. Their most toxicologically relevant physical and chemical characteristics were determined--thereby showing that most of them were equal or smaller than 2.5 microm--and the influence of both natural (Ca, Na, Mg, Ti, etc.) and anthropic (Al, Fe, Mn, Cr, Pb, Zn, Cu, Ni, benzene and its derivatives, paraffins, etc.) emission sources. The toxicity induced by the three PM samples was studied through 5-bromodeoxyuridine incorporation to DNA, mitochondrial dehydrogenase activity and extracellular lactate dehydrogenase activity. Hence, effect concentrations at 10 and 50% (EC(10) and EC(50), respectively) were as follows: (i) rural PM--EC(10) = 5.91 microg cm(-2) and EC(50) = 29.55 microg cm(-2); (ii) urban PM--EC(10) = 5.45 microg cm(-2) and EC(50) = 27.23 microg cm(-2); and (iii) industrial PM--EC(10) = 6.86 microg cm(-2) and EC(50) = 34.29 microg cm(-2). Moreover, PM-induced oxidative damage in A549 cells was observed through the induction of lipid peroxidation, the alteration of superoxide dismutase activity, and the disruption of glutathione status. Both the transition metals and the organic chemicals within the three collected PM samples under study might be involved in the oxidative damage and, therefore, the toxicity they induced in A549 cells.

  5. Chemical Remediation of Nickel(II) Waste: A Laboratory Experiment for General Chemistry Students

    ERIC Educational Resources Information Center

    Corcoran, K. Blake; Rood, Brian E.; Trogden, Bridget G.

    2011-01-01

    This project involved developing a method to remediate large quantities of aqueous waste from a general chemistry laboratory experiment. Aqueous Ni(II) waste from a general chemistry laboratory experiment was converted into solid nickel hydroxide hydrate with a substantial decrease in waste volume. The remediation method was developed for a…

  6. CHEMICAL INTERACTIONS OF ARSENATE, ARSENITE, PHOSPHATE, AND SILICATE WITH IRON (II,III) HYDROXYCARBONATE GREEN RUST

    EPA Science Inventory

    Granular zerovalent iron has been proposed to be used as a medium in permeable reactive barriers (PRBs) to remove arsenic from contaminated groundwater. Iron(II, III) hydroxycarbonate green rust (carbonate green rust, or CGR) is a major corrosion product of zerovalent iron under ...

  7. CHEMICAL INTERACTIONS OF ARSENATE, ARSENITE, PHOSPHATE, AND SILICATE WITH IRON (II, III) HYDROXYCARBONATE GREEN RUST

    EPA Science Inventory

    Granular zerovalent iron has been proposed to be used as a medium in permeable reactive barriers (PRBs) to remove arsenic from contaminated groundwater. Iron(II, III) hydroxycarbonate green rust (carbonate green rust, or CGR) is a major corrosion product of zerovalent iron under ...

  8. The new chemical insight for understanding the mechanism of Henry reaction over Cu(II) catalyst

    NASA Astrophysics Data System (ADS)

    Chen, Zhe-Ning; Wang, Kangli; Cui, Deng; Wu, Anan

    2017-04-01

    In this work, we present an alternative mechanism without the initial coordination of reactant and catalyst for the asymmetric Henry reaction over Cu(II) catalyst. Our calculations show that the re-coordination of acetate and Cu center is essential for the enantioselectivity. Thus, any effect of the re-coordination process would affect the enantioselectivity for this reaction.

  9. Bridging the Gap between Sample Collection and Laboratory Analysis: Using Dried Blood Spots to Identify Human Exposure to Chemical Agents.

    PubMed

    Hamelin, Elizabeth I; Blake, Thomas A; Perez, Jonas W; Crow, Brian S; Shaner, Rebecca L; Coleman, Rebecca M; Johnson, Rudolph C

    2016-05-13

    Public health response to large scale chemical emergencies presents logistical challenges for sample collection, transport, and analysis. Diagnostic methods used to identify and determine exposure to chemical warfare agents, toxins, and poisons traditionally involve blood collection by phlebotomists, cold transport of biomedical samples, and costly sample preparation techniques. Use of dried blood spots, which consist of dried blood on an FDA-approved substrate, can increase analyte stability, decrease infection hazard for those handling samples, greatly reduce the cost of shipping/storing samples by removing the need for refrigeration and cold chain transportation, and be self-prepared by potentially exposed individuals using a simple finger prick and blood spot compatible paper. Our laboratory has developed clinical assays to detect human exposures to nerve agents through the analysis of specific protein adducts and metabolites, for which a simple extraction from a dried blood spot is sufficient for removing matrix interferents and attaining sensitivities on par with traditional sampling methods. The use of dried blood spots can bridge the gap between the laboratory and the field allowing for large scale sample collection with minimal impact on hospital resources while maintaining sensitivity, specificity, traceability, and quality requirements for both clinical and forensic applications.

  10. Bridging the gap between sample collection and laboratory analysis: using dried blood spots to identify human exposure to chemical agents

    NASA Astrophysics Data System (ADS)

    Hamelin, Elizabeth I.; Blake, Thomas A.; Perez, Jonas W.; Crow, Brian S.; Shaner, Rebecca L.; Coleman, Rebecca M.; Johnson, Rudolph C.

    2016-05-01

    Public health response to large scale chemical emergencies presents logistical challenges for sample collection, transport, and analysis. Diagnostic methods used to identify and determine exposure to chemical warfare agents, toxins, and poisons traditionally involve blood collection by phlebotomists, cold transport of biomedical samples, and costly sample preparation techniques. Use of dried blood spots, which consist of dried blood on an FDA-approved substrate, can increase analyte stability, decrease infection hazard for those handling samples, greatly reduce the cost of shipping/storing samples by removing the need for refrigeration and cold chain transportation, and be self-prepared by potentially exposed individuals using a simple finger prick and blood spot compatible paper. Our laboratory has developed clinical assays to detect human exposures to nerve agents through the analysis of specific protein adducts and metabolites, for which a simple extraction from a dried blood spot is sufficient for removing matrix interferents and attaining sensitivities on par with traditional sampling methods. The use of dried blood spots can bridge the gap between the laboratory and the field allowing for large scale sample collection with minimal impact on hospital resources while maintaining sensitivity, specificity, traceability, and quality requirements for both clinical and forensic applications.

  11. Impact of geothermal technology improvements on royalty collections on federal lands: Volume II: Appendices

    SciTech Connect

    Not Available

    1988-10-01

    This volume contains the appendices for the ''Impact of Geothermal Technology Improvements on Royalty Collections on Federal Lands, Final Report, Volume I.'' The material in this volume supports the conclusions presented in Volume I and details each Known Geothermal Resource Area's (KGRA's) royalty estimation. Appendix A details the physical characteristics of each KGRA considered in Volume I. Appendix B supplies summary narratives on each state which has a KGRA. The information presented in Appendix C shows the geothermal power plant area proxies chosen for each KGRA considered within the report. It also provides data ranges which fit into the IMGEO model for electric energy cost estimates. Appendix D provides detailed cost information from the IMGEO model if no Geothermal Program RandD goals were completed beyond 1987 and if all the RandD goals were completed by the year 2000. This appendix gives an overall electric cost and major system costs, which add up to the overall electric cost. Appendix E supplies information for avoided cost projections for each state involved in the study that were used in the IMGEO model run to determine at what cost/kWh a 50 MWe plant could come on line. Appendix F supplies the code used in the determination of royalty income, as well as, tabled results of the royalty runs (detailed in Appendix G). The tabled results show royalty incomes, assuming a 10% discount rate, with and without RandD and with and without a $0.01/kWh transmission cost. Individual data sheets for each KGRA royalty income run are presented in Appendix G.

  12. In Vitro Screening of 1877 Industrial and Consumer Chemicals, Pesticides and Pharmaceuticals in up to 782 Assays: ToxCast Phase I and II (SOT)

    EPA Science Inventory

    In Phase II of the ToxCast program, the U.S. EPA and Tox21 partners screened 1,877 chemicals, including pesticides; food, cosmetics and personal care ingredients; pharmaceuticals; and industrial chemicals. Testing used a 782 in vitro assays across 7 technologies and multiple bi...

  13. Copper(II) removal from aqueous solutions by adsorption on non-treated and chemically modified cactus fibres.

    PubMed

    Prodromou, M; Pashalidis, I

    2013-01-01

    The adsorption efficiency of a biomass by-product (cactus fibres) regarding the removal of copper(II) from aqueous solutions has been investigated before and after its chemical treatment. The chemical treatment of the biomass by-product included phosphorylation and MnO2-coating. The separation/removal efficiency has been studied as a function of pH, Cu(II) concentration, ionic strength, temperature and contact time. Evaluation of the experimental data shows that the MnO2-coated product presents the highest adsorption capacity, followed by the non-treated and phosphorylated material. Regarding the effect of ionic strength/salinity on the adsorption, in contrast to the removal efficiency of the phosphorylated product, which is significantly affected, the MnO2-coated and non-treated material don't show any effect, indicating the formation of inner-sphere surface complexes. The adsorption reaction is in all cases endothermic and relatively fast, particularly the adsorption on the MnO2-coated product. The results of the present study indicate that for the removal of bivalent metal-ions from contaminated waters the MnO2-coated material is expected to be the most effective adsorbent and an alternative to MnO2 resins for the treatment of environmentally relevant waters.

  14. Chemical modification of Class II G-protein coupled receptor ligands

    PubMed Central

    Chapter, Megan C.; White, Caitlin M.; De Ridder, Angela; Chadwick, Wayne; Martin, Bronwen; Maudsley, Stuart

    2009-01-01

    Recent research and clinical data have begun to demonstrate the huge potential therapeutic importance of ligands that modulate the activity of the secretin-like, Class II, G-protein coupled receptors (GPCRs). Ligands that can modulate the activity of these Class II GPCRs may have important clinical roles in the treatment of a wide variety of conditions such as osteoporosis, diabetes, amyotrophic lateral sclerosis and autism spectrum disorders. While these receptors present important new therapeutic targets, the large glycoprotein nature of their cognate ligands poses many problems with respect to therapeutic peptidergic drug design. These native peptides often exhibit poor bioavailability, metabolic instability, poor receptor selectivity and resultant low potencies in vivo. Recently, increased attention has been paid to the structural modification of these peptides to enhance their therapeutic efficacy. Successful modification strategies have included D-amino acid substitutions, selective truncation, and fatty acid acylation of the peptide. Through these and other processes, these novel peptide ligand analogs can demonstrate enhanced receptor subtype selectivity, directed signal transduction pathway activation, resistance to proteolytic degradation, and improved systemic bioavailability. In the future, it is likely, through additional modification strategies such as addition of circulation-stabilizing transferrin moieties, that the therapeutic pharmacopeia of drugs targeted towards Class II secretin-like receptors may rival that of the Class I rhodopsin-like receptors that currently provide the majority of clinically used GPCR-based therapeutics. Currently, Class II-based drugs include synthesized analogues of vasoactive intestinal peptide for type 2 diabetes or parathyroid hormone for osteoporosis. PMID:19686775

  15. Atomic Data for Zn II: Improving Spectral Diagnostics of Chemical Evolution in High-redshift Galaxies

    NASA Astrophysics Data System (ADS)

    Kisielius, Romas; Kulkarni, Varsha P.; Ferland, Gary J.; Bogdanovich, Pavel; Som, Debopam; Lykins, Matt L.

    2015-05-01

    Damped Lyα (DLA) and sub-DLA absorbers in quasar spectra provide the most sensitive tools for measuring the element abundances of distant galaxies. The estimation of abundances from absorption lines depends sensitively on the accuracy of the atomic data used. We have started a project to produce new atomic spectroscopic parameters for optical and UV spectral lines using state-of-the-art computer codes employing a very broad configuration interaction (CI) basis. Here we report our results for Zn ii, an ion used widely in studies of the interstellar medium (ISM) as well as DLAs and sub-DLAs. We report new calculations of many energy levels of Zn ii and the line strengths of the resulting radiative transitions. Our calculations use the CI approach within a numerical Hartree-Fock framework. We use both nonrelativistic and quasi-relativistic one-electron radial orbitals. We have incorporated the results of these atomic calculations into the plasma simulation code Cloudy and applied them to a lab plasma and examples of a DLA and a sub-DLA. Our values of the Zn ii λ λ 2026, 2062 oscillator strengths are higher than previous values by 0.10 dex. The Cloudy calculations for representative absorbers with the revised Zn atomic data imply ionization corrections lower than calculated earlier by 0.05 dex. The new results imply that Zn metallicities should be lower by 0.1 dex for DLAs and by 0.13-0.15 dex for sub-DLAs than in past studies. Our results can be applied to other studies of Zn ii in the Galactic and extragalactic ISM.

  16. PRELIMINARY ASSESSMENTS OF IN VITRO PHARMACOKINETIC DATA AND EXPOSURE INFORMATION FOR THE TOXCAST PHASE II CHEMICALS

    EPA Science Inventory

    Momentum has been growing in Toxicology to assess the utility of high-throughput screening (HTS) assays in the determination of chemical testing priorities. However, in vitro potencies determined in these assays do not consider in vivo bioavailability, clearance or exposure estim...

  17. PERFORMANCE OF NORTH AMERICAN BIOREACTOR LANDFILLS: II. CHEMICAL AND BIOLOGICAL CHARACTERISTICS

    EPA Science Inventory

    The objective of this research was to examine the performance of five North American bioreactor landfills. This paper represents the second of a two part series and addresses biological and chemical aspects of bioreactor performance including gas production and management, and l...

  18. Test driving ToxCast: endocrine profiling for1858 chemicals included in phase II

    EPA Science Inventory

    Introduction: Identifying chemicals to test for potential endocrine disruption beyond those already implicated in the peer-reviewed literature is a challenge. This review is intended to help by summarizing findings from the Environmental Protection Agency’s (EPA) ToxCast™ high th...

  19. Iso-chemical potential trajectories in the P-T plane for He II

    NASA Technical Reports Server (NTRS)

    Maytal, B.; Nissen, J. A.; Van Sciver, S. W.

    1990-01-01

    Trajectories of constant chemical potential in the P-T plane serve as an integral formulation of London's equation. The trajectories are useful for analysis and synthesis of fountain effect pump performance. A family of trajectories is generated from available numerical codes.

  20. Four-Year Summary, Educational and Commercial Utilization of a Chemical Information Center, Part II.

    ERIC Educational Resources Information Center

    Schipma, Peter B., Ed.

    The major objective of the Illinois Institute of Technology Retrieval Institute (IITRI) Computer Search Center (CSC) is to educate and link industry, academia, and government institutions to chemical and other scientific information systems and sources. The CSC is in full operation providing services to users from a variety of machine-readable…

  1. Development of a benchtop baking method for chemically leavened crackers. II. Validation of the method

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A benchtop baking method has been developed to predict the contribution of gluten functionality to overall flour performance for chemically leavened crackers. Using a diagnostic formula and procedure, dough rheology was analyzed to evaluate the extent of gluten development during mixing and machinin...

  2. Direct Conversion of Chemically De-Ashed Coal in Fuel Cells (II)

    SciTech Connect

    Cooper, J F

    2005-07-25

    We review the technical challenges associated with the production and use of various coal chars in a direct carbon conversion fuel cell. Existing chemical and physical deashing processes remove material below levels impacting performance at minimal cost. At equilibrium, sulfur entrained is rejected from the melt as COS in the offgas.

  3. Dust depletion, chemical uniformity and environment of CaII H&K quasar absorbers

    NASA Astrophysics Data System (ADS)

    Zych, Berkeley J.; Murphy, Michael T.; Hewett, Paul C.; Prochaska, Jason X.

    2009-02-01

    CaIIλλ3934, 3969 absorbers, which are likely to be a subset of damped Lyman α systems (DLAs), are the most dusty quasar absorbers known with an order of magnitude more extinction in E(B - V) than other absorption systems. There is also evidence that CaII absorbers trace galaxies with more ongoing star formation than the average quasar absorber. Despite this, relatively little is known in detail about these unusual absorption systems. Here, we present the first high-resolution spectroscopic study of 19 CaII quasar absorbers, in the range 0.6 <= zabs <= 1.2, with CaIIλ3934 equivalent widths, W39340 >= 0.2Å. Their general elemental depletion patterns are found to be similar to measurements in the warm halo phase of the Milky Way (MW) and Magellanic Clouds interstellar medium. Dust depletions and α-enrichments profiles of subsamples of seven and three absorbers, respectively, are measured using a combination of Voigt profile fitting and apparent optical depth techniques. Deviations in [Cr/Zn] ~ 0.3 +/- 0.1 and [Si/Fe] >~ 0.8 +/- 0.1dex are detected across the profile of one absorber, which we attribute to differential dust depletion. The remaining absorbers have <0.3dex (3σ limit) variation in [Cr/Zn], much like the general DLA population, though the dustiest CaII absorbers, those with W39340 > 0.7Å, remain relatively unprobed in our sample. A limit on electron densities in CaII absorbers, ne < 0.1cm-3, is derived using the ratio of neutral and singly ionized species and assuming a MW-like radiation field. These electron densities may imply hydrogen densities sufficient for the presence of molecular hydrogen in the absorbers. The CaII absorber sample comprises a wide range of velocity widths, Δv90 = 50-470kms-1, and velocity structures, thus a range of physical models for their origin, from simple discs to galactic outflows and mergers, would be required to explain the observations.

  4. Solubility classification of airborne uranium products collected at the perimeter of the Allied Chemical Plant, Metropolis, Illinois

    SciTech Connect

    Kalkwarf, D.R.

    1980-05-01

    Airborne uranium products were collected at the perimeter of the uranium-conversion plant operated by the Allied Chemical Corporation at Metropolis, Illinois, and the dissolution rates of these products were classified in terms of the ICRP Task Group Lung Model. Assignments were based on measurements of the dissolution half-times exhibited by uranium components of the dust samples as they dissolved in simulated lung fluid at 37/sup 0/C. Based on three trials, the dissolution behavior of dust with aerodynamic equivalent diameter (AED) less than 5.5 ..mu..m and collected nearest the closest residence to the plant was classified 0.40 D, 0.60 Y. Based on two trials, the dissolution behavior of dust with AED greater than 5.5 ..mu..m and collected at this location was classified 0.37 D, 0.63 Y. Based on one trial, the dissolution behavior of dust with AED less than 5.5 ..mu..m and collected at a location on the opposite side of the plant was classified 0.68 D, 0.32 Y. There was some evidence for adsorption of dissolved uranium onto other dust components during dissolution, and preliminary dissolution trials are recommended for future samples in order to optimize the fluid replacement schedule.

  5. Chemical composition and genotoxic activity of petroleum derivatives collected in two working environments

    SciTech Connect

    Pasquini, R.; Taningher, M.; Monarca, S.; Pala, M.; Angeli, G.

    1989-01-01

    Pitch and bitumen, two complex petroleum derivative mixtures, were studied for both their chemical composition and their mutagenic/DNA damaging activity. While bitumen revealed no genotoxic effect and low polycyclic aromatic hydrocarbons (PAHs) concentration, petroleum pitch showed a high concentration of mutagenic/carcinogenic PAHs, and also an elevated mutagenic activity when assayed by the Ames test, in the presence of postmitochondrial rat liver fractions. The in vitro mutagenic activity was detectable as frameshift mutation by assaying the pitch both as an in toto mixture and after HPLC fractionation, the most polar fractions being the most active. In contrast, both derivatives showed no in vivo DNA damage in rat liver, using the DNA alkaline elution technique and the fluorometric assay of DNA unwinding.

  6. Monitoring physical and chemical parameters of Delaware Bay waters with an ERTS-1 data collection platform

    NASA Technical Reports Server (NTRS)

    Klemas, V. (Principal Investigator); Wethe, C.

    1975-01-01

    The author has identified the following significant results. Results of the analysis of data collected during the summer of 1974 demonstrate that the ERTS Data Collection Platform (DCP) is quite responsive to changing water parameters and that this information can be successfully transmitted under all weather conditions. The monitoring of on-site probe outputs reveals a rapid response to changing water temperature, salinity, and turbidity conditions on incoming tides as the tidal salt wedge passes the probe location. The changes in water properties were corroborated by simultaneously sampling the water for subsequent laboratory analysis. Fluctuations observed in the values of salinity, conductivity, temperature and water depth over short time intervals were extremely small. Due to the nature of the probe, 10% to 20% fluctuations were observed in the turbidity values. The use of the average of the values observed during an overpass provided acceptable results. Good quality data was obtained from the satellite on each overpass regardless of weather conditions. Continued use of the DCP will help provide an indication of the accuracy of the probes and transmission system during long term use.

  7. Ram-air sample collection device for a chemical warfare agent sensor

    DOEpatents

    Megerle, Clifford A.; Adkins, Douglas R.; Frye-Mason, Gregory C.

    2002-01-01

    In a surface acoustic wave sensor mounted within a body, the sensor having a surface acoustic wave array detector and a micro-fabricated sample preconcentrator exposed on a surface of the body, an apparatus for collecting air for the sensor, comprising a housing operatively arranged to mount atop the body, the housing including a multi-stage channel having an inlet and an outlet, the channel having a first stage having a first height and width proximate the inlet, a second stage having a second lower height and width proximate the micro-fabricated sample preconcentrator, a third stage having a still lower third height and width proximate the surface acoustic wave array detector, and a fourth stage having a fourth height and width proximate the outlet, where the fourth height and width are substantially the same as the first height and width.

  8. Chemical fingerprinting of petroleum biomarkers in Deepwater Horizon oil spill samples collected from Alabama shoreline.

    PubMed

    Mulabagal, V; Yin, F; John, G F; Hayworth, J S; Clement, T P

    2013-05-15

    We compare the chromatographic signatures of petroleum biomarkers in Deepwater Horizon (DH) source oil, three other reference crude oils, DH emulsified mousse that arrived on Alabama's shoreline in June 2010, and seven tar balls collected from Alabama beaches from 2011 to 2012. Characteristic hopane and sterane fingerprints show that all the tar ball samples originated from DH oil. In addition, the diagnostic ratios of various hopanes indicate an excellent match. Quantitation data for C₃₀αβ-hopane concentration levels show that most of the weathering observed in DH-related tar balls found on Alabama's beaches is likely the result of natural evaporation and dissolution that occurred during transport across the Gulf of Mexico prior to beach deposition. Based on the physical and biomarker characterization data presented in this study we conclude that virtually all fragile, sticky, brownish tar balls currently found on Alabama shoreline originated from the DH oil spill.

  9. Collective retention and transmission of chemical signals in a social insect

    NASA Astrophysics Data System (ADS)

    Gill, Katherine P.; van Wilgenburg, Ellen; Taylor, Peter; Elgar, Mark A.

    2012-03-01

    Social insect colonies exhibit highly coordinated responses to ecological challenges by acquiring information that is disseminated throughout the colony. Some responses are coordinated directly from the signals produced by individuals that acquired the information. Other responses may require information to be transferred indirectly through a third party, thereby requiring colony-wide retention of information. Social insects use colony signature odours to distinguish between nestmates and non-nestmates, and the level of aggression between non-nestmates typically varies according to the distance between colonies and thus their history of interactions. Such coordinated, colony-specific responses may require information about particular odours to be disseminated and retained across the colony. Our field experiments with weaver ants reveal colony-wide, indirect acquisition and retention of the signature odours of a different colony with which they had experienced aggression. These data highlight the significance of interaction history and suggest the presence of a collective memory.

  10. Chemical composition and bioaccumulation ability of Boletus badius (Fr.) Fr. collected in western Poland.

    PubMed

    Proskura, Natalia; Podlasińska, Joanna; Skopicz-Radkiewicz, Lidia

    2017-02-01

    The aim of the study was to determine content of 17 elements (Co, Cd, Cu, Cr, Ni, Pb, Zn, Mn, Fe, Mg, Na, Ca, K, N, C, S and P) and their bioaccumulation factors (BCF) in bay bolete (Boletus badius (Fr.) Fr.) fruiting bodies (caps and stalks) and underneath soil samples collected from forest sites in lubuskie voivodeship in Poland. Forty-eight samples of Boletus badius (Fr.) Fr. fruiting bodies and the same number of underneath soil substrate samples were collected in forest sites of Sulęcin Forest District in western Poland. Copper and zinc were absorbed most strongly from soil substrate, which is performed by bioaccumulation factors (BCFCap/Soil = 16.57 and 11.60, respectively), wherein Pb, Co, Cr, Fe and Mn were excluded from bioaccumulation (BCF < 1.0). The mean content of Cd in caps and stalks was 1.44 ± 0.88 and 2.01 ± 1.26 mg kg(-1) dry weight, respectively and in contrary to Pb (≈3.00 ± 2.66 and 2.01 ± 1.26 mg kg(-1) d. w.) this metal is strongly accumulated from subsoil (BCFCap/Soil = 11.12 and BCFStipe/Soil = 10.83). The fruiting bodies of Boletus badius were distinguished by elevated content of Cr, Zn, Pb and Cd. Few statistically significant metal-to-metal correlations were observed. The correlation between forest habitat types and metals concentrations was also analysed. An attempt of estimation of Pb and Cd safe dose for human consumption was made.

  11. New integration techniques for chemical kinetic rate equations. II - Accuracy comparison

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, K.

    1986-01-01

    A comparison of the accuracy of several techniques recently developed for solving stiff differential equations is presented. The techniques examined include two general purpose codes EEPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREKID, and GCKP84 developed specifically to solve chemical kinetic rate equations. The accuracy comparisons are made by applying these solution procedures to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas phase chemical reactions at constant pressure, and include all three combustion regimes: induction heat release, and equilibration. The comparisons show that LSODE is the most efficient code - in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that an iterative solution of the algebraic enthalpy conservation equation for the temperature can be more accurate and efficient than computing the temperature by integrating its time derivative.

  12. CHBPR-Angiotensin II stimulates renin in inner medullary collecting duct cells via PKC and independent of ENaC and mineralocorticoid receptor activity

    PubMed Central

    Gonzalez, Alexis A.; Liu, Liu; Lara, Lucienne S.; Seth, Dale M; Navar, L. Gabriel; Prieto, Minolfa C

    2011-01-01

    Collecting duct (CD) renin is stimulated by angiotensin (Ang) II providing a pathway for Ang I generation and further conversion to Ang II. Ang II stimulates epithelial sodium channel (ENaC) via Ang II type 1 receptor (AT1R) and increases mineralocorticoid receptor (MR) activity due to increased aldosterone release. Our objective was to determine if CD renin augmentation is mediated directly by AT1R or via ENaC and MR. In vivo studies examined the effects of ENaC blockade (amiloride; 5 mg/kg/day) on CD renin expression and urinary renin content (URC) in Ang II-infused rats (80 ng/min, 2 weeks). Ang II infusion increased systolic blood pressure (SBP), medullary renin mRNA, URC and intrarenal Ang II levels. Amiloride co-treatment did not alter these responses despite reduction in the rate of progression of SBP. In primary cultures of inner medullary CD (IMCD) cells, renin mRNA and (pro)renin protein levels increased with Ang II (100 nmol/L), and candesartan (AT1R antagonist) prevented this effect. Aldosterone (10−10 to 10−7 mol/L) with or without amiloride did not modify the upregulation of renin mRNA in Ang II treated cells. However, inhibition of protein kinase C (PKC) with calphostin C prevented the Ang II-mediated increases in renin mRNA and (pro)renin protein levels. Furthermore, PKC activation with phorbol 12-myristate 13-acetate (PMA) increased renin expression to the same extent as Ang II. These data indicate that AT1R-mediated increase in CD renin is induced directly by Ang II via PKC pathway and that this regulation is independent of MR activation or ENaC activity. PMID:21282553

  13. Exclusion of cosmic rays in protoplanetary disks. II. Chemical gradients and observational signatures

    SciTech Connect

    Cleeves, L. Ilsedore; Bergin, Edwin A.; Adams, Fred C.

    2014-10-20

    The chemical properties of protoplanetary disks are especially sensitive to their ionization environment. Sources of molecular gas ionization include cosmic rays (CRs), stellar X-rays, and short-lived radionuclides, each of which varies with location in the disk. This behavior leads to a significant amount of chemical structure, especially in molecular ion abundances, which is imprinted in their submillimeter rotational line emission. Using an observationally motivated disk model, we make predictions for the dependence of chemical abundances on the assumed properties of the ionizing field. We calculate the emergent line intensity for abundant molecular ions and simulate sensitive observations with the Atacama Large Millimeter/Sub-millimeter Array (ALMA) for a disk at D = 100 pc. The models readily distinguish between high ionization rates (ζ ≳ 10{sup –17} s{sup –1} per H{sub 2}) and below, but it becomes difficult to distinguish between low ionization models when ζ ≲ 10{sup –19} s{sup –1}. We find that H{sub 2}D{sup +} emission is not detectable for sub-interstellar CR rates with ALMA (6h integration), and that N{sub 2}D{sup +} emission may be a more sensitive tracer of midplane ionization. HCO{sup +} traces X-rays and high CR rates (ζ{sub CR} ≳ 10{sup –17} s{sup –1}), and provides a handle on the warm molecular ionization properties where CO is present in the gas. Furthermore, species like HCO{sup +}, which emits from a wide radial region and samples a large gradient in temperature, can exhibit ring-like emission as a consequence of low-lying rotational level de-excitation near the star. This finding highlights a scenario where rings are not necessarily structural or chemical in nature, but simply a result of the underlying line excitation properties.

  14. Investigation of the Hazards Posed by Chemical Vapors Released in Marine Operations - Phase II.

    DTIC Science & Technology

    1983-04-01

    at San Antonio, Texas . 307 U.S. COAST GUARDf SOUTHWEST RESEARCH INSTITUTE, SAN ANTONIO, TEXAS , USA UNIVERSITY OF TEXAS SCHOOL OF PUBLIC HEALTH, HOUSTON... TEXAS , USA SUBJECT CONSENT FOR PARTICIPATION IN AN INVESTIGATION OF "HAZARDS POSED BY CHEMICAL VAPORS RELEASED IN MARINE OPERATIONS: TASK V...write to the following persons: Dr. Stanley M. Pier Mr. William J. Astleford 5326 Dora Street Southwest Research Institute Houston, Texas , 77005, USA

  15. [Resistant starches. Part II. Physico-chemical and technological aspects solution medico-biological problems].

    PubMed

    Iur'ev, V P; Gapparov, M M; Vasserman, L A; Genkina, N K

    2006-01-01

    This paper is a review of the recent literature data related to structure, composition and physico-chemical properties of starches as well as the special methods of processing of the starch containing raw sources producing the food products with increasing content of resistant starches. The prognosis is made about usefulness of such resistant starches for control of some metabolic disorder in human organism and for prophylactic aims.

  16. Divergent Chemical Cues Elicit Seed Collecting by Ants in an Obligate Multi-Species Mutualism in Lowland Amazonia

    PubMed Central

    Youngsteadt, Elsa; Guerra Bustios, Patricia; Schal, Coby

    2010-01-01

    In lowland Amazonian rainforests, specific ants collect seeds of several plant species and cultivate them in arboreal carton nests, forming species-specific symbioses called ant-gardens (AGs). In this obligate mutualism, ants depend on the plants for nest stability and the plants depend on ant nests for substrate and nutrients. AG ants and plants are abundant, dominant members of lowland Amazonian ecosystems, but the cues ants use to recognize the seeds are poorly understood. To address the chemical basis of the ant-seed interaction, we surveyed seed chemistry in nine AG species and eight non-AG congeners. We detected seven phenolic and terpenoid volatiles common to seeds of all or most of the AG species, but a blend of the shared compounds was not attractive to the AG ant Camponotus femoratus. We also analyzed seeds of three AG species (Anthurium gracile, Codonanthe uleana, and Peperomia macrostachya) using behavior-guided fractionation. At least one chromatographic fraction of each seed extract elicited retrieval behavior in C. femoratus, but the active fractions of the three plant species differed in polarity and chemical composition, indicating that shared compounds alone did not explain seed-carrying behavior. We suggest that the various AG seed species must elicit seed-carrying with different chemical cues. PMID:21209898

  17. Aerosols Collected at a Tropical Marine Environment: Size-Resolved Chemical Composition Using IC, TOC, and Thermal-Optical Analyses

    NASA Astrophysics Data System (ADS)

    Morales-García, F.; Mayol-Bracero, O. L.; Repollet-Pedrosa, M.; Kasper-Giebl, A.; Ramírez-Santa Cruz, C.; Puxbaum, H.

    2009-05-01

    Size-resolved chemical characterization was performed on aerosol samples collected at two different marine sites in the tropics: Dian Point (DP), Antigua and Cape San Juan (CSJ), Puerto Rico. A 13-stage Dekati low- pressure impactor (Dp 0.1 to 10 μm), a 10-stage micro-orifice uniform deposit impactor (Dp 0.054 to 18 μm), and stacked-filter units (Dp < 1.7 μm) were used to collect the samples. Na+, NH4+, K+, Mg2+, Ca2+, Cl-, NO2-, NO3-, SO42-, acetate, formate, malonate, and oxalate were determined using ion chromatography (IC). Thermal-optical analysis (TOA) was used to determine the concentrations of aerosol total carbon (TC), organic carbon (OC), and elemental carbon (EC). Five-day back trajectories calculated using NOAA's HYSPLIT (HYbrid Single-Particle Lagrangian Integrated Trajectory) model identified air masses coming from the North Atlantic (maritime air), Northwest Africa (desert dust), and North America (anthropogenic pollution). Size-resolved chemical characterization of aerosol samples using IC and TOA confirmed that aerosols become aged as they are transported to the Caribbean and their composition depends on the air mass origin. Gravimetric analyses showed that average fine mass concentrations for CSJ station were higher than for DP station (CSJ: 1.9 μg m-3; DP: 1.2 μg m-3). The aerosol chemical composition changed with air masses of different origin and with different pollution levels. In both locations the predominant water-soluble ions in the fine aerosol fraction were Cl-, Na+, and SO42-. Sulphate was observed in higher concentrations during the polluted case and particulate organic matter concentrations were higher for the maritime case. During desert dust events an increase in Ca2+ and Mg2+ of 4 and 2 times, respectively, was observed mainly in the coarse mode. Results for the size-resolved chemical composition and complete aerosol chemical apportionment including the residual mass will be presented.

  18. Chemically Modified Plastic Tube for High Volume Removal and Collection of Circulating Tumor Cells

    PubMed Central

    Gaitas, Angelo; Kim, Gwangseong

    2015-01-01

    In this preliminary effort, we use a commercially available and chemically modified tube to selectively capture circulating tumor cells (CTCs) from the blood stream by immobilizing human anti-EpCAM antibodies on the tube's interior surface. We describe the requisite and critical steps required to modify a tube into a cancer cell-capturing device. Using these simple modifications, we were able to capture or entrap about 85% of cancer cells from suspension and 44% of cancer cells from spiked whole blood. We also found that the percentage of cells captured was dependent on the tube's length and also the number of cancer cells present. It is our strong belief that with the utilization of appropriate tube lengths and procedures, we can ensure capture and removal of nearly the entire CTC population in whole blood. Importantly after a patient’s entire blood volume has circulated through the tube, the tube can then be trypsinized to release the captured live CTCs for further analysis and testing. PMID:26176235

  19. Comparison of remote consequences in Taraxacum officinale seed progeny collected in radioactively or chemically contaminated areas.

    PubMed

    Pozolotina, Vera N; Antonova, Elena V; Bezel, Victor S

    2012-10-01

    We carried out a comparative study of seed progeny taken from the dandelion (Taraxacum officinale s.l.) coenopopulations exposed for a long time to radioactive or chemical contamination originated from the East-Ural radioactive trace zone (EURT) or Nizhniy Tagil metallurgical combine impact zone (NTMC), respectively. Coenopopulations from EURT, NTMC and background areas significantly differ from each other with respect to the qualitative and quantitative composition of allozyme phenes. An analysis of clonal diversity showed the uniqueness of all coenopopulations in terms of their phenogenetics. P-generation seed viability was found to decrease in a similar manner as all types of the industrial stress increased. Studies of F (1)-generation variability in radio- and metal resistance by family analysis showed that seed progeny from EURT impact zone possessed high viability that, however, was accompanied by development of latent injuries resulting in low resistance to additional man-caused impacts. In F (1)-generation originated from NTMC zone, high seed viability was combined with increased resistance to provocative heavy metal and radiation exposure. No significant differences in responses to 'habitual' and 'new' factors, i.e. pre-adaptation effect, were found in samples from the contaminated areas.

  20. Comparison of chemical and thermal protein denaturation by combination of computational and experimental approaches. II

    NASA Astrophysics Data System (ADS)

    Wang, Qian; Christiansen, Alexander; Samiotakis, Antonios; Wittung-Stafshede, Pernilla; Cheung, Margaret S.

    2011-11-01

    Chemical and thermal denaturation methods have been widely used to investigate folding processes of proteins in vitro. However, a molecular understanding of the relationship between these two perturbation methods is lacking. Here, we combined computational and experimental approaches to investigate denaturing effects on three structurally different proteins. We derived a linear relationship between thermal denaturation at temperature Tb and chemical denaturation at another temperature Tu using the stability change of a protein (ΔG). For this, we related the dependence of ΔG on temperature, in the Gibbs-Helmholtz equation, to that of ΔG on urea concentration in the linear extrapolation method, assuming that there is a temperature pair from the urea (Tu) and the aqueous (Tb) ensembles that produces the same protein structures. We tested this relationship on apoazurin, cytochrome c, and apoflavodoxin using coarse-grained molecular simulations. We found a linear correlation between the temperature for a particular structural ensemble in the absence of urea, Tb, and the temperature of the same structural ensemble at a specific urea concentration, Tu. The in silico results agreed with in vitro far-UV circular dichroism data on apoazurin and cytochrome c. We conclude that chemical and thermal unfolding processes correlate in terms of thermodynamics and structural ensembles at most conditions; however, deviations were found at high concentrations of denaturant.

  1. Chemical Abundances in the Stellar Populations of the Leo I and Leo II dSph Galaxies

    NASA Astrophysics Data System (ADS)

    Bosler, T. L.; Smecker-Hane, T. A.; Stetson, P. B.

    2002-05-01

    Our goal is to map the chemical abundance distribution of the stellar populations of the Leo I and Leo II dwarf spheroidal (dSph) galaxies to constrain the physical processes that regulate their evolution. The dSphs are particularly interesting galaxies because their star formation histories (SFHs) appear to be much more complicated than theory would predict for such low mass, low luminosity, low surface-brightness galaxies. Color-magnitude diagrams (CMDs) of these dSphs have shown that they formed stars over many Gyr. In order to understand the true spread in stellar ages and chemical abundances we need more precise abundance indicators than can be inferred from CMD analysis: abundances based upon the broad-band colors of red giants are subject to large systematic errors because of limitations in convection theory, and poorly determined color--effective temperature relations produce sizable uncertainties in the derived shapes of theoretical red giant branches. Therefore we are measuring the abundance distribution of the Leo I and Leo II dSphs from spectroscopy of individual red giant stars using the Ca II absorption lines in the near infrared (8498, 8542, and 8662 Å). Our observations are made on the Keck I 10-meter Telescope using the Low Resolution Imaging Spectrometer. One night of successful observations yielded spectra of approximately 40 stars in each dSph from which abundances with random uncertainties of ≈ 0.1 dex will be derived. Calibration of the Ca II strengths to [Fe/H] has been done by Rutledge, et al. (1997, PASP, 109, 907) using Galactic globular clusters. We are also deriving a new calibration for [Ca/H]. This new calibration will remove the dependence on SFH built into the Rutledge, et al. calibration, i.e., the assumptions of a unique age for the system and a Galactic [Ca/Fe]--[Fe/H] relationship. Financial support for this project was provided by NSF grant AST-0070985 to TSH, and an ARCS Foundation fellowship to TB.

  2. Computation of the physio-chemical properties and data mining of large molecular collections.

    PubMed

    Cheng, Ailan; Diller, David J; Dixon, Steven L; Egan, William J; Lauri, George; Merz, Kenneth M

    2002-01-15

    Very large data sets of molecules screened against a broad range of targets have become available due to the advent of combinatorial chemistry. This information has led to the realization that ADME (absorption, distribution, metabolism, and excretion) and toxicity issues are important to consider prior to library synthesis. Furthermore, these large data sets provide a unique and important source of information regarding what types of molecular shapes may interact with specific receptor or target classes. Thus, the requirement for rapid and accurate data mining tools became paramount. To address these issues Pharmacopeia, Inc. formed a computational research group, The Center for Informatics and Drug Discovery (CIDD).* In this review we cover the work done by this group to address both in silico ADME modeling and data mining issues faced by Pharmacopeia because of the availability of a large and diverse collection (over 6 million discrete compounds) of drug-like molecules. In particular, in the data mining arena we discuss rapid docking tools and how we employ them, and we describe a novel data mining tool based on a ID representation of a molecule followed by a molecular sequence alignment step. For the ADME area we discuss the development and application of absorption, blood-brain barrier (BBB) and solubility models. Finally, we summarize the impact the tools and approaches might have on the drug discovery process.

  3. Comparative study of the chemical composition of essential oils of five Tagetes species collected in Venezuela.

    PubMed

    Armas, Kaylin; Rojas, Janne; Rojas, Luis; Morales, Antonio

    2012-09-01

    The leaves and inflorescences of five species of Tagetes, family Asteraceae, were collected from different locations in Mérida state, Venezuela, and their essential oils analyzed by GC and GC/MS. Several differences were observed in the composition of these oils, mainly regarding the major components, which for T. caracasana were trans-ocimenone (64.3%) and cis-tagetone (13.7%), and for T. erecta, piperitone (35.9%) and terpinolene (22.2%). High amounts of trans-anethole (87.5%) and estragole (10.7%) were observed in T. filifolia, while T. subulata essential oil contained terpinolene (26.0%), piperitenone (13.1%) and limonene (10.8%). For T. patula, two different oil samples were analyzed, leaves (TPL) and inflorescences (TPI). The TPL oil showed terpinolene (20.9%) and piperitenone (14.0%) as main components, while the TPI sample was composed mainly of beta-caryophyllene (23.7%), terpinolene (15.6%) and cis-beta-ocimene (15.5%).

  4. Hygroscopic and Chemical Properties of Aerosols collected near a Copper Smelter: Implications for Public and Environmental Health

    PubMed Central

    Sorooshian, Armin; Csavina, Janae; Shingler, Taylor; Dey, Stephen; Brechtel, Fred J.; Sáez, A. Eduardo; Betterton, Eric A.

    2012-01-01

    Particulate matter emissions near active copper smelters and mine tailings in the southwestern United States pose a potential threat to nearby environments owing to toxic species that can be inhaled and deposited in various regions of the body depending on the composition and size of the particles, which are linked by particle hygroscopic properties. This study reports the first simultaneous measurements of size-resolved chemical and hygroscopic properties of particles next to an active copper smelter and mine tailings by the towns of Hayden and Winkelman in southern Arizona. Size-resolved particulate matter samples collected near an active copper smelter were examined with inductively coupled plasma mass spectrometry, ion chromatography, and a humidified tandem differential mobility analyzer. Aerosol particles collected at the measurement site are enriched in metals and metalloids (e.g. arsenic, lead, and cadmium) and water-uptake measurements of aqueous extracts of collected samples indicate that the particle diameter range of particles most enriched with these species (0.18–0.55 µm) overlaps with the most hygroscopic mode at a relative humidity of 90% (0.10–0.32 µm). These measurements have implications for public health, microphysical effects of aerosols, and regional impacts owing to the transport and deposition of contaminated aerosol particles. PMID:22852879

  5. Physical and chemical properties of Red MSX Sources in the southern sky: H II regions

    NASA Astrophysics Data System (ADS)

    Yu, Naiping; Wang, Jun-Jie; Li, Nan

    2015-01-01

    We have studied the physical and chemical properties of 18 southern Red Midcourse Space Experiment Sources (RMSs), using archival data taken from the Atacama Pathfinder Experiment (APEX) Telescope Large Area Survey of the Galaxy, the Australia Telescope Compact Array, and the Millimeter Astronomy Legacy Team Survey at 90 GHz. Most of our sources have simple cometary/unresolved radio emissions at 4.8 and/or 8.6GHz. The large number of Lyman continuum fluxes (NL) indicates they are probably massive O- or early B-type star formation regions. Archival IRAS infrared data are used to estimate the dust temperature, which is about 30 K of our sources. Then, the H2 column densities and the volume-averaged H2 number densities are estimated using the 870 μm dust emissions. Large-scale infall and ionized accretions may be occurring in G345.4881+00.3148. We also attempt to characterize the chemical properties of these RMSs through molecular line (N2H+ (1-0) and HCO+ (1-0)) observations. Most of the detected N2H+ and HCO+ emissions match well with the dust emission, implying a close link to their chemical evolution in the RMSs. We found that the abundance of N2H+ is one order of magnitude lower than that in other surveys of infrared dark clouds, and a positive correlation between the abundances of N2H+ and HCO+. The fractional abundance of N2H+ with respect to H2 seems to decrease as a function of NL. These observed trends could be interpreted as an indication of enhanced destruction of N2H+, either by CO or through dissociative recombination with electrons produced by central UV photons.

  6. Chemical analysis of CH stars - II. Atmospheric parameters and elemental abundances

    NASA Astrophysics Data System (ADS)

    Karinkuzhi, Drisya; Goswami, Aruna

    2015-01-01

    We present detailed chemical analyses for a sample of 12 stars selected from the CH star catalogue of Bartkevicius. The sample includes two confirmed binaries, four objects that are known to show radial velocity variations and the rest with no information on the binary status. A primary objective is to examine if all these objects exhibit chemical abundances characteristics of CH stars, based on detailed chemical composition study using high-resolution spectra. We have used high-resolution (R ˜ 42 000) spectra from the ELODIE archive. These spectra cover 3900 to 6800 Å in the wavelength range. We have estimated the stellar atmospheric parameters, the effective temperature Teff, the surface gravity log g, and metallicity [Fe/H] from local thermodynamic equilibrium analysis using model atmospheres. Estimated temperatures of these objects cover a wide range from 4200 to 6640 K, the surface gravity from 0.6 to 4.3 and metallicity from -0.13 to -1.5. We report updates on elemental abundances for several heavy elements, Sr, Y, Zr, Ba, La, Ce, Pr, Nd, Sm, Eu and Dy. For the object HD 89668, we present the first abundance analyses results. Enhancement of heavy elements relative to Fe, a characteristic property of CH stars is evident from our analyses in the case of four objects, HD 92545, HD 104979, HD 107574 and HD 204613. A parametric-model-based study is performed to understand the relative contributions from the s- and r-process to the abundances of the heavy elements.

  7. Chemical consequences of pyrazole orientation in Ru(II) complexes of unsymmetric quinoline-pyrazole ligands.

    PubMed

    Hedberg Wallenstein, Joachim; Fredin, Lisa A; Jarenmark, Martin; Abrahamsson, Maria; Persson, Petter

    2016-08-07

    A series of homoleptic Ru(II) complexes including the tris-bidentate complexes of a new bidentate ligand 8-(1-pyrazol)-quinoline (Q1Pz) and bidentate 8-(3-pyrazol)-quinoline (Q3PzH), as well as the bis-tridentate complex of bis(quinolinyl)-1,3-pyrazole (DQPz) was studied. Together these complexes explore the orientation of the pyrazole relative to the quinoline. By examining the complexes structurally, photophysically, photochemically, electrochemically, and computationally by DFT and TD-DFT, it is shown that the pyrazole orientation has a significant influence on key properties. In particular, its orientation has noticeable effects on oxidation and reduction potentials, photostability and proton sensitivity, indicating that [Ru(Q3PzH)3](2+) is a particularly good local environment acidity-probe candidate.

  8. A multi-time-scale analysis of chemical reaction networks: II. Stochastic systems.

    PubMed

    Kan, Xingye; Lee, Chang Hyeong; Othmer, Hans G

    2016-11-01

    We consider stochastic descriptions of chemical reaction networks in which there are both fast and slow reactions, and for which the time scales are widely separated. We develop a computational algorithm that produces the generator of the full chemical master equation for arbitrary systems, and show how to obtain a reduced equation that governs the evolution on the slow time scale. This is done by applying a state space decomposition to the full equation that leads to the reduced dynamics in terms of certain projections and the invariant distributions of the fast system. The rates or propensities of the reduced system are shown to be the rates of the slow reactions conditioned on the expectations of fast steps. We also show that the generator of the reduced system is a Markov generator, and we present an efficient stochastic simulation algorithm for the slow time scale dynamics. We illustrate the numerical accuracy of the approximation by simulating several examples. Graph-theoretic techniques are used throughout to describe the structure of the reaction network and the state-space transitions accessible under the dynamics.

  9. The 2011 October Draconids outburst - II. Meteoroid chemical abundances from fireball spectroscopy

    NASA Astrophysics Data System (ADS)

    Madiedo, José M.; Trigo-Rodríguez, Josep M.; Konovalova, Natalia; Williams, Iwan P.; Castro-Tirado, Alberto J.; Ortiz, José L.; Cabrera-Caño, Jesús

    2013-07-01

    On 2011 October 8, the Earth crossed dust trails ejected from comet 21P/Giacobini-Zinner in the late 19th and early 20th Century. This gave rise to an outburst in the activity of the October Draconid meteor shower, and an international team was organized to analyse this event. The SPanish Meteor Network (SPMN) joined this initiative and recorded the October Draconids by means of low-light level CCD cameras. In addition, spectroscopic observations were carried out. Tens of multistation meteor trails were recorded, including an extraordinarily bright October Draconid fireball (absolute magnitude -10.5) that was simultaneously imaged from three SPMN meteor observing stations located in Andalusia. Its spectrum was obtained, showing a clear evolution in the relative intensity of emission lines as the fireball penetrated deeper into the atmosphere. Here, we focus on the analysis of this remarkable spectrum, but also discuss the atmospheric trajectory, atmospheric penetration and orbital data computed for this bolide which was probably released during 21P/Giacobini-Zinner return to perihelion in 1907. The spectrum is discussed together with the tensile strength for the October Draconid meteoroids. The chemical profile evolution of the main rocky elements for this extremely bright bolide is compared with the elemental abundances obtained for five October Draconid fireballs also recorded during our spectroscopic campaign but observed only at a single station. Significant chemical heterogeneity between the small meteoroids is found as we should expect for cometary aggregates being formed by diverse dust components.

  10. Preliminary Results of Detailed Chemical Abundance Analysis of Milky Way Satellite Galaxy Reticulum II Discovered in the Dark Energy Survey

    NASA Astrophysics Data System (ADS)

    Nagasawa, Daniel; Marshall, Jennifer L.; Li, Ting; Dark Energy Survey Milky Way Science Group

    2016-01-01

    We present preliminary results from abundance analysis of stars in Milky Way satellite galaxies found in the Dark Energy Survey (DES). DES has discovered 16 candidate satellite galaxies of the Milky Way in its first two years of operation. Since January 2015, three candidates have subsequently been revealed to be dark matter-dominated by spectroscopic follow-up studies of their kinematics, confirming their status as satellite galaxies. Spectroscopic follow-up of the remaining 13 candidates is underway. We have analyzed high resolution VLT/GIRAFFE spectra of member stars in one of these satellite galaxies, Reticulum II. Using equivalent width measurement and spectral synthesis methods, we measure the abundances of Iron and other species in order to begin to understand the chemical content of these Milky Way satellites.

  11. Chemical evolution in the early phases of massive star formation. II. Deuteration

    NASA Astrophysics Data System (ADS)

    Gerner, T.; Shirley, Y. L.; Beuther, H.; Semenov, D.; Linz, H.; Albertsson, T.; Henning, Th.

    2015-07-01

    The chemical evolution in high-mass star-forming regions is still poorly constrained. Studying the evolution of deuterated molecules allows distinguishing between subsequent stages of high-mass star formation regions based on the strong temperature dependence of deuterium isotopic fractionation. We observed a sample of 59 sources including 19 infrared dark clouds, 20 high-mass protostellar objects, 11 hot molecular cores and 9 ultra-compact Hii regions in the (3-2) transitions of the four deuterated molecules, DCN, DNC, DCO+, and N2D+ as well as their non-deuterated counterparts. The overall detection fraction of DCN, DNC, and DCO+ is high and exceeds 50% for most of the stages. N2D+ was only detected in a few infrared dark clouds and high-mass protostellar objects. This may be related to problems in the bandpass at the transition frequency and to low abundances in the more evolved, warmer stages. We find median D/H ratios of 0.02 for DCN, 0.005 for DNC, 0.0025 for DCO+, and 0.02 for N2D+. While the D/H ratios of DNC, DCO+, and N2D+ decrease with time, DCN/HCN peaks at the hot molecular core stage. We only found weak correlations of the D/H ratios for N2D+ with the luminosity of the central source and the FWHM of the line, and no correlation with the H2 column density. In combination with a previously observed set of 14 other molecules (Paper I), we fitted the calculated column densities with an elaborate 1D physico-chemical model with time-dependent D-chemistry including ortho- and para-H2 states. Good overall fits to the observed data were obtained with the model. This is one of the first times that observations and modeling were combined to derive chemically based best-fit models for the evolution of high-mass star formation including deuteration. Appendix A is available in electronic form at http://www.aanda.org

  12. ANALYSIS OF TWO SMALL MAGELLANIC CLOUD H II REGIONS CONSIDERING THERMAL INHOMOGENEITIES: IMPLICATIONS FOR THE DETERMINATIONS OF EXTRAGALACTIC CHEMICAL ABUNDANCES

    SciTech Connect

    Pena-Guerrero, Maria A.; Peimbert, Antonio; Peimbert, Manuel; Ruiz, Maria Teresa E-mail: antonio@astroscu.unam.mx E-mail: mtruiz@das.uchile.cl

    2012-02-20

    We present long-slit spectrophotometry considering the presence of thermal inhomogeneities (t{sup 2}) of two H II regions in the Small Magellanic Cloud (SMC): NGC 456 and NGC 460. Physical conditions and chemical abundances were determined for three positions in NGC 456 and one position in NGC 460, first under the assumption of uniform temperature and then allowing for the possibility of thermal inhomogeneities. We determined t{sup 2} values based on three different methods: (1) by comparing the temperature derived using oxygen forbidden lines with the temperature derived using helium recombination lines (RLs), (2) by comparing the abundances derived from oxygen forbidden lines with those derived from oxygen RLs, and (3) by comparing the abundances derived from ultraviolet carbon forbidden lines with those derived from optical carbon RLs. The first two methods averaged t{sup 2} = 0.067 {+-} 0.013 for NGC 456 and t{sup 2} = 0.036 {+-} 0.027 for NGC 460. These values of t{sup 2} imply that when gaseous abundances are determined with collisionally excited lines they are underestimated by a factor of nearly two. From these objects and others in the literature, we find that in order to account for thermal inhomogeneities and dust depletion, the O/H ratio in low-metallicity H II regions should be corrected by 0.25-0.45 dex depending on the thermal structure of the nebula or by 0.35 dex if such information is not available.

  13. Antimicrobial Exposure Assessment Task Force II (AEATF II) Volume 5: Governing Document for a Multi-Year Antimicrobial Chemical Exposure Monitoring Program (interim draft document with changes)

    EPA Pesticide Factsheets

    This document describes the overall scope of the AEATF II program, demonstrates the need for additional human exposure monitoring data and explains the proposed methodology for the exposure monitoring studies proposed for conduct by the AEATF II.

  14. Antimicrobial Exposure Assessment Task Force II (AEATF II) Volume 5: Governing Document for a Multi-Year Antimicrobial Chemical Exposure Monitoring Program (interim draft document)

    EPA Pesticide Factsheets

    Describes the overall scope of the AEATF II program, demonstrates the need for additional human exposure monitoring data and explains the proposed methodology for the exposure monitoring studies proposed for conduct by the AEATF II.

  15. [His Majesty's distillers: distillation and chemical medicine in the court of Phillip II].

    PubMed

    Rey Bueno, M; Alegre Pérez, M E

    2001-01-01

    The present work studies the appearance and development of Paracelsian Practices in the Spanish Court through a linked series of events that took place between 1564 and 1602. These were: the creation of Philippine distillation laboratories, the ordenance of the protophysician Francisco de Valles regarding distilled waters; the concession of a patent to Diego de Santiago for the invention of a steam distillery; the publication of the last treatise by Francisco de Valles, dedicated to weights, measures, and distilled waters; the appearance of a distiller on the founding staff of the Royal Apothecary, in charge of preparing all the distilled waters and chemical medicines; and the creation of a new post within the Court health organigram, that of Distiller Major.

  16. Acid base properties of cyanobacterial surfaces. II: Silica as a chemical stressor influencing cell surface reactivity

    NASA Astrophysics Data System (ADS)

    Lalonde, S. V.; Smith, D. S.; Owttrim, G. W.; Konhauser, K. O.

    2008-03-01

    Bacteria grow in complex solutions where the adsorption of aqueous species and nucleation of mineral phases on the cell surface may interfere with membrane-dependent homeostatic functions. While previous investigations have provided evidence that bacteria may alter their surface chemical properties in response to environmental stimuli, to our knowledge no effort has been made to evaluate surface compositional changes resulting from non-nutritional chemical stresses within a quantitative framework applicable to surface complexation modeling. We consider here the influence of exposure to silica on cyanobacterial surface chemistry, particularly in light of the propensity for cyanobacteria to become silicified in geothermal environments. Using data modeled from over 50 potentiometric titrations of the unsheathed cyanobacterium Anabaena sp. strain PCC 7120, we find that both abiotic geochemical and biotic biochemical-assimilatory factors have important and different effects on cell surface chemistry. Changes in functional group distribution that resulted from growth by different nitrogen assimilation pathways were greatest in the absence of dissolved silica and less important in its presence. Furthermore, out of the three nitrogen assimilation pathways investigated, in terms of surface functional group distribution, nitrate-reducing cultures were least sensitive, and ammonium-assimilating cultures were most sensitive, to changes in media silica concentration. When functional group distributions were plotted as a function of silica concentration, it appears that, with higher silica concentrations, basic groups (p Ka > 7) increase in concentration relative to acidic groups (p Ka < 7), and the total ligand densities (on a per-weight basis) decreased. The results imply a decrease in both the magnitude and density of surface charge as the net result of growth at high silica concentrations. Thus, Anabaena sp. appears to actively respond to growth in silicifying solutions by

  17. CHEMICAL PROCESSES IN PROTOPLANETARY DISKS. II. ON THE IMPORTANCE OF PHOTOCHEMISTRY AND X-RAY IONIZATION

    SciTech Connect

    Walsh, Catherine; Millar, T. J.; Nomura, Hideko; Aikawa, Yuri

    2012-03-10

    We investigate the impact of photochemistry and X-ray ionization on the molecular composition of, and ionization fraction in, a protoplanetary disk surrounding a typical T Tauri star. We use a sophisticated physical model, which includes a robust treatment of the radiative transfer of UV and X-ray radiation, and calculate the time-dependent chemical structure using a comprehensive chemical network. In previous work, we approximated the photochemistry and X-ray ionization; here, we recalculate the photoreaction rates using the explicit UV wavelength spectrum and wavelength-dependent reaction cross sections. We recalculate the X-ray ionization rate using our explicit elemental composition and X-ray energy spectrum. We find that photochemistry has a larger influence on the molecular composition than X-ray ionization. Observable molecules sensitive to the photorates include OH, HCO{sup +}, N{sub 2}H{sup +}, H{sub 2}O, CO{sub 2}, and CH{sub 3}OH. The only molecule significantly affected by the X-ray ionization is N{sub 2}H{sup +}, indicating that it is safe to adopt existing approximations of the X-ray ionization rate in typical T Tauri star-disk systems. The recalculation of the photorates increases the abundances of neutral molecules in the outer disk, highlighting the importance of taking into account the shape of the UV spectrum in protoplanetary disks. A recalculation of the photoreaction rates also affects the gas-phase chemistry due to the adjustment of the H/H{sub 2} and C{sup +}/C ratios. The disk ionization fraction is not significantly affected by the methods adopted to calculate the photochemistry and X-ray ionization. We determine that there is a probable 'dead zone' where accretion is suppressed, present in a layer, Z/R {approx}< 0.1-0.2, in the disk midplane, within R Almost-Equal-To 200 AU.

  18. Profiling of the Tox21 Chemical Collection for Mitochondrial Function to Identify Compounds that Acutely Decrease Mitochondrial Membrane Potential

    PubMed Central

    Attene-Ramos, Matias S.; Huang, Ruili; Michael, Sam; Witt, Kristine L.; Richard, Ann; Tice, Raymond R.; Simeonov, Anton; Austin, Christopher P.

    2014-01-01

    21 chemical collection for mitochondrial function to identify compounds that acutely decrease mitochondrial membrane potential. Environ Health Perspect 123:49–56; http://dx.doi.org/10.1289/ehp.1408642 PMID:25302578

  19. Femtochemistry of orange II in solution and in chemical and biological nanocavities

    PubMed Central

    Douhal, Abderrazzak; Sanz, Mikel; Tormo, Laura

    2005-01-01

    In this work, we report on studies of the nature of the dynamics and hydrophobic binding in cyclodextrins and human serum albumin protein complexes with orange II. With femtosecond time resolution, we examined the proton-transfer and trans-cis isomerization reactions of the ligand in these nanocavities and in pure solvents. Because of confinement at the ground state, the orientational motion in the formed phototautomer is restricted, leading to a rich dynamics. Therefore, the emission lifetimes span a large window of tens to hundreds of picoseconds in the cavities. Possible H-bond interactions between the guest and cyclodextrin do not affect the caged dynamics. For the protein–ligand complexes, slow diffusional motion (≈630 ps) observed in the anisotropy decay indicates that the binding structure is not completely rigid, and the embedded guest is not frozen with the hydrophobic pocket. The ultrafast isomerization and decays are explained in terms of coupling motions between N–N and C–N stretching modes of the formed tautomer. We discuss the role of confinement on the trans-cis isomerization with the cavities and its relationships to frequency and time domains of nanostructure emission. PMID:16365300

  20. A physical chemical approach to understanding cellular dysfunction in type II diabetes

    NASA Astrophysics Data System (ADS)

    Miranker, Andrew

    2013-03-01

    The conversion of soluble protein into b-sheet rich amyloid fibers is the hallmark of a number of serious diseases. Precursors for many of these systems (e.g. Ab from Alzheimer's disease) reside in close association with a biological membranes. Membrane bilayers are reported to accelerate the rate of amyloid assembly. Furthermore, membrane permeabilization by amyloidogenic peptides can lead to toxicity. Given the b-sheet rich nature of mature amyloid, it is seemingly paradoxical that many precursors are either intrinsically b-helical, or transiently adopt an a-helical state upon association with membrane. We have investigated these phenomena in islet amyloid polypeptide (IAPP). IAPP is a 37-residue peptide hormone which forms amyloid fibers in individuals with type II diabetes. We report here the discovery of an oligomeric species that arises through stochastic nucleation on membranes, and results in disruption of the lipid bilayer. These species are stable, result in all-or-none leakage, and represent a definable protein/lipid phase that equilibrates over time. To characterize the reaction pathway of assembly, we apply an experimental design that includes ensemble and single particle evaluations in vitro and correlate these with quantitative measures of cellular toxicity.

  1. Studies in photochemical smog chemistry. I. Atmospheric chemistry of toluene. II. Analysis of chemical reaction mechanisms for photochemical smog

    SciTech Connect

    Leone, J.A.

    1985-01-01

    This study focuses on two related topics in the gas phase organic chemistry of importance in urban air pollution. Part I describes an experimental and modeling effort aimed at developing a new explicit reaction mechanism for the atmospheric photooxidation of toluene. This mechanism is tested using experimental data from both indoor and outdoor smog chamber facilities. The predictions of the new reaction mechanism are found to be in good agreement with both sets of experimental data. Additional simulations performed with the new mechanism are used to investigate various mechanistic paths, and to gain insight into areas where the understanding is not complete. The outdoor experimental facility, which was built to provide the second set of experimental data, consists of a 65 cubic meter teflon smog chamber together with full instrumentation capable of measuring ozone, nitrogen dioxide, nitric oxide, peroxyacetyl nitrate (PAN), carbon monoxide, relative humidity, temperature, aerosol size distributions, and of course toluene and its photooxidation products. In Part II, a theoretical analysis of lumped chemical reaction mechanisms for photochemical smog is presented. Included is a description of a new counter species analysis technique which can be used to analyze any complex chemical reaction mechanism. Finally, a new lumped mechanism for photochemical smog is developed and tested against experimental data from two smog chamber facilities. Advantages of this mechanism relative to the existing lumped mechanisms are discussed.

  2. Antimicrobial, antioxidant properties and chemical composition of seaweeds collected from Saudi Arabia (Red Sea and Arabian Gulf).

    PubMed

    Moubayed, Nadine M S; Al Houri, Hadeel Jawad; Al Khulaifi, Manal M; Al Farraj, Dunia A

    2017-01-01

    The present study demonstrates the antibacterial activity of selected brown and green marine algae collected from Saudi Arabia Red Sea and Arabian Gulf. The methanolic and acetone extracts were tested against gram positive, gram negative bacteria and Candida albicans in an attempt to be used as an alternative to commonly used antibiotics. Both brown seaweed species Sargassum latifolium B and Sargassum platycarpum A methanolic extracts were found to be active against gram positive than gram negative; however, S. latifolium acetone extract gave the highest inhibitory activity against Salmonella sp. On the other hand, Cladophorasocialis organic extract demonstrated higher antibacterial activity than the fresh extract but both C. socialis extracts revealed decreased activity compared to Sargassum extracts. Cladophora methanolic extract showed an obvious effect on methicillin resistant Staphylococcus aureus (MRSA). The present work shows a comparable therapeutic potency of the tested seaweed members Sargassum and Cladophora extracts in treating human microbial pathogens to synthetic chemical antibiotics. A remarkable higher antioxidant DPPH free radical scavenging effect was recorded with Sargassum sp. compared to Cladophora sp. FTIR Infrared Spectrometer analysis together with the high performance liquid chromatography provided a detailed description of the possible functional constituents and the major chemical components present in marine macroalgae particularly in brown seaweeds to be mainly of phenolic nature to which the potent antimicrobial activity is being attributed.

  3. All electron quantum chemical calculation of the entire enzyme system confirms a collective catalytic device in the chorismate mutase reaction.

    PubMed

    Ishida, Toyokazu; Fedorov, Dmitri G; Kitaura, Kazuo

    2006-01-26

    To elucidate the catalytic power of enzymes, we analyzed the reaction profile of Claisen rearrangement of Bacillus subtilis chorismate mutase (BsCM) by all electron quantum chemical calculations using the fragment molecular orbital (FMO) method. To the best of our knowledge, this is the first report of ab initio-based quantum chemical calculations of the entire enzyme system, where we provide a detailed analysis of the catalytic factors that accomplish transition-state stabilization (TSS). FMO calculations deliver an ab initio-level estimate of the intermolecular interaction between the substrate and the amino acid residues of the enzyme. To clarify the catalytic role of Arg90, we calculated the reaction profile of the wild-type BsCM as well as Lys90 and Cit90 mutant BsCMs. Structural refinement and the reaction path determination were performed at the ab initio QM/MM level, and FMO calculations were applied to the QM/MM refined structures. Comparison between three types of reactions established two collective catalytic factors in the BsCM reaction: (1) the hydrogen bonds connecting the Glu78-Arg90-substrate cooperatively control the stability of TS relative to the ES complex and (2) the positive charge on Arg90 polarizes the substrate in the TS region to gain more electrostatic stabilization.

  4. Identifying new persistent and bioaccumulative organics among chemicals in commerce II: pharmaceuticals.

    PubMed

    Howard, Philip H; Muir, Derek C G

    2011-08-15

    The goal of this study was to identify commercial pharmaceuticals that might be persistent and bioaccumulative (P&B) and that were not being considered in current wastewater and aquatic environmental measurement programs. We developed a database of 3193 pharmaceuticals from two U.S. Food and Drug Administration (FDA) databases and some lists of top ranked or selling drugs. Of the 3193 pharmaceuticals, 275 pharmaceuticals have been found in the environment and 399 pharmaceuticals were, based upon production volumes, designated as high production volume (HPV) pharmaceuticals. All pharmaceuticals that had reported chemical structures were evaluated for potential bioaccumulation (B) or persistence (P) using quantitative structure property relationships (QSPR) or scientific judgment. Of the 275 drugs detected in the environment, 92 were rated as potentially bioaccumulative, 121 were rated as potentially persistent, and 99 were HPV pharmaceuticals. After removing the 275 pharmaceuticals previously detected in the environment, 58 HPV compounds were identified that were both P&B and 48 were identified as P only. Of the non-HPV compounds, 364 pharmaceuticals were identified that were P&B. This study has yielded some interesting and probable P&B pharmaceuticals that should be considered for further study.

  5. The physico-chemical mechanism of mediated transport. II. Osmotic and isosmotic volume flow.

    PubMed

    Massaldi, H A

    1984-09-07

    The process of volume change of cells subject to osmotic shocks or isosmotic entrance of permeant solute is formulated on the basis of the accepted structure for the plasma membrane and a physico-chemical approach similar to that recently developed. The effect of relevant parameters is discussed and theoretical equilibrium values for the variables are calculated in connection with water and permeant solute permeability determinations. Although a sorption-diffusional mechanism for solute and/or water volume flow within the membrane is assumed in both cases, the kinetics of volume change is shown to be totally different between them. In the isosmotic process a fixed relationship, given by the total solute concentration, is shown to exist between the permeant solute and volume fluxes to the cell, thereby implying a definite value for the volume fraction of water in the migration pathway, higher than 90%. The bi-phase osmotic regulatory response caused by permeant solute is simulated on the basis of an osmotic and isosmotic processes in series, showing good agreement with general behavior. Finally, an explanation to the problem of volume flow and forces in connection with a diffusional mechanism in biological and artificial membranes, is presented.

  6. Review of Catalytic Hydrogen Generation in the DWPF Chemical Processing Cell, Part II

    SciTech Connect

    Koopman, David C.; Lambert, Daniel P.; Baich, Mark A.

    2005-08-01

    The Savannah River National Laboratory is in the process of investigating factors suspected of impacting catalytic hydrogen generation in the Defense Waste Processing Facility, DWPF, Chemical Process Cell, CPC. Noble metal catalyzed hydrogen generation in simulation work constrains the allowable acid addition operating window in DWPF. This constraint potentially impacts washing strategies during sludge batch preparation. It can also influence decisions related to the addition of secondary waste streams to a sludge batch. Catalytic hydrogen generation data from 2002-2005 were reviewed. The data came from process simulations of the DWPF Sludge Receipt and Adjustment Tank, SRAT, and Slurry Mix Evaporator, SME. Most of the data was from the development work for the Sludge Batch 3 process flowsheet. This included simulant and radioactive waste testing. Preliminary Sludge Batch 4 data were also reviewed. A statistical analysis of SB3 simulant hydrogen generation data was performed. One factor considered in the statistical analysis was excess acid. Excess acid was determined experimentally as the acid added beyond that required to achieve satisfactory nitrite destruction.

  7. Episome-carried Surface Antigen K88 of Escherichia coli II. Isolation and Chemical Analysis

    PubMed Central

    Stirm, Stephan; Ørskov, Frits; Ørskov, Ida; Mansa, Bendt

    1967-01-01

    The K88 antigen was carried by episomal transfer to D282, a nonmotile Escherichia coli strain without K antigen. D520, obtained by this episomal transfer, was used for the extraction of K88 antigen. It was shown by the agar gel precipitation technique that some K88 antigen was released from D520 into suspending aqueous medium. The amount of liberated material was increased by gentle heating (60 C) or treatment in a Waring Blendor. The antigen was obtained from the extracts in a purified form by making use of its insolubility between pH 3.5 and 5.5 and of its high sedimentation rate (S020,w = 36.7S). The homogeneity of the material was demonstrated by agar gel precipitation with D520 antiserum, by analytical ultracentrifugation, and by moving-boundary electrophoresis. Chemical analysis revealed that K88 is a pure protein containing all the common amino acids with the exception of cysteine-cystine. Purified K88 selectively precipitated the K88 antibodies from D520 antiserum and was shown to be immunogenic in rabbits. Images PMID:4960185

  8. Hygroscopic and chemical properties of aerosols collected near a copper smelter: implications for public and environmental health.

    PubMed

    Sorooshian, Armin; Csavina, Janae; Shingler, Taylor; Dey, Stephen; Brechtel, Fred J; Sáez, A Eduardo; Betterton, Eric A

    2012-09-04

    Particulate matter emissions near active copper smelters and mine tailings in the southwestern United States pose a potential threat to nearby environments owing to toxic species that can be inhaled and deposited in various regions of the body depending on the composition and size of the particles, which are linked by particle hygroscopic properties. This study reports the first simultaneous measurements of size-resolved chemical and hygroscopic properties of particles next to an active copper smelter and mine tailings by the towns of Hayden and Winkelman in southern Arizona. Size-resolved particulate matter samples were examined with inductively coupled plasma mass spectrometry, ion chromatography, and a humidified tandem differential mobility analyzer. Aerosol particles collected at the measurement site are enriched in metals and metalloids (e.g., arsenic, lead, and cadmium) and water-uptake measurements of aqueous extracts of collected samples indicate that the particle diameter range of particles most enriched with these species (0.18-0.55 μm) overlaps with the most hygroscopic mode at a relative humidity of 90% (0.10-0.32 μm). These measurements have implications for public health, microphysical effects of aerosols, and regional impacts owing to the transport and deposition of contaminated aerosol particles.

  9. Desorption electrospray ionization-mass spectrometric analysis of low vapor pressure chemical particulates collected from a surface.

    PubMed

    Ewing, K J; Gibson, D; Sanghera, J; Miklos, F

    2015-01-01

    The collection of a low vapor pressure chemical simulant triethyl phosphate sorbed onto silica gel (TEP/SG) from a surface with subsequent analysis of the TEP/SG particulates using desorption electrospray ionization-mass spectrometry (DESI-MS) is described. Collection of TEP/SG particulates on a surface was accomplished using a sticky screen sampler composed of a stainless steel screen coated with partially polymerized polydimethylsiloxane (PDMS). DESI-MS analysis of TEP/SG particulates containing different percentages of TEP sorbed onto silica gel enabled the generation of response curves for the TEP ions m/z 155 and m/z 127. Using the response curves the calculation of the mass of TEP in a 25 wt% sample of TEP/SG was calculated, results show that the calculated mass of TEP was 14% different from the actual mass of TEP in the sample using the m/z 127 TEP ion response curve. Detection limits for the TEP vapor and TEP/SG particulates were calculated to be 4 μg and 6 particles, respectively.

  10. The Chemical Properties of Milky Way and M31 Globular Clusters. II. Stellar Population Model Predictions

    NASA Astrophysics Data System (ADS)

    Beasley, Michael A.; Brodie, Jean P.; Strader, Jay; Forbes, Duncan A.; Proctor, Robert N.; Barmby, Pauline; Huchra, John P.

    2005-03-01

    We derive ages, metallicities, and abundance ratios ([α/Fe]) from the integrated spectra of 23 globular clusters in M31 by employing multivariate fits to two different stellar population models. We also perform a parallel analysis on 21 Galactic globular clusters as a consistency check and in order to facilitate a differential analysis. Our analysis shows that the M31 globular clusters separate into three distinct components in age and metallicity; we identify an old, metal-poor group (seven clusters), an old, metal-rich group (10 clusters), and an intermediate-age (3-6 Gyr), intermediate-metallicity ([Z/H]~-1) group (six clusters). This third group is not identified in the Galactic globular cluster sample. We also see evidence that the old, metal-rich Galactic globular clusters are 1-2 Gyr older than their counterparts in M31. The majority of globular clusters in both samples appear to be enhanced in α-elements, but the degree of enhancement is rather model-dependent. The intermediate-age globular clusters appear to be the most enhanced, with [α/Fe]~0.4. These clusters are clearly depressed in CN with respect to the models and the bulk of the M31 and Milky Way sample. Compared with the bulge of M31, M32, and NGC 205, these clusters most resemble the stellar populations in NGC 205 in terms of age, metallicity, and CN abundance. We infer horizontal branch morphologies for the M31 clusters using the Rose Ca II index and demonstrate that blue horizontal branches are not leading to erroneous age estimates in our analysis. We discuss and reject as unlikely the hypothesis that these objects are in fact foreground stars contaminating the optical catalogs. The intermediate-age clusters have generally higher velocities than the bulk of the M31 cluster population. Spatially, three of these clusters are projected onto the bulge region, and the remaining three are distributed at large radii. We discuss these objects within the context of the build-up of the M31 halo and

  11. Martian Surface Composition From Multiple Datasets, Part II: Chemical Analysis of Global Mineral Distributions from MGS-TES

    NASA Astrophysics Data System (ADS)

    Hamilton, V. E.; Rogers, D.

    2010-12-01

    Koeppen and Hamilton [2008, JGR-Planets] produced global mineral maps of Mars from Thermal Emission Spectrometer (TES) data using a library of mineral and amorphous phase spectra and a linear least squares fitting algorithm. Here we will use known or estimated bulk chemistries of the phases in the Koeppen and Hamilton [2008] spectral library, along with each phase's modeled abundance in the TES data from that work, to calculate effective bulk chemistry for Martian dark regions at a spatial resolution of ~3x6 km. By doing this, we are able to analyze global bulk chemical variation as well as enable direct comparisons between TES data and chemical/elemental abundance maps (e.g., wt.% SiO2) produced using data collected by the Gamma Ray Spectrometer. A second chemical analysis also makes use of the Koeppen and Hamilton [2008] global mineral maps and focuses on the spatial variations in solid solution chemistry among feldspars, pyroxenes, high silica phases (e.g., silica, phyllosilicates, zeolites), and sulfates. Koeppen and Hamilton [2008] demonstrated that there is a range of Mg-Fe olivine compositions on Mars and that there are distinct geographic distributions of those phases, pointing to spatial variations in geologic processes. We use the same methodology to search for correlations between geography (e.g., geologic unit, latitude), elevation, and chemical (solid solution) composition. Preliminary analyses of pyroxene chemical variation reveal that globally, low-Ca pyroxenes are dominated by the clinopyroxene pigeonite and that among orthopyroxenes, Mg-rich phases (enstatite) are virtually never identified and phases with greater proportions of Fe (bronzite and hypersthene) are identified in distinct geographic and/or geologic terrains. Only the distribution of hypersthene (the composition of pyroxene in the Martian meteorite ALH 84001) correlates with the OMEGA-mapped distribution of low-Ca pyroxene suggesting that OMEGA-based maps of high-Ca pyroxene may include

  12. A multimedia fate and chemical transport modeling system for pesticides: II. Model evaluation

    NASA Astrophysics Data System (ADS)

    Li, Rong; Scholtz, M. Trevor; Yang, Fuquan; Sloan, James J.

    2011-07-01

    Pesticides have adverse health effects and can be transported over long distances to contaminate sensitive ecosystems. To address problems caused by environmental pesticides we developed a multimedia multi-pollutant modeling system, and here we present an evaluation of the model by comparing modeled results against measurements. The modeled toxaphene air concentrations for two sites, in Louisiana (LA) and Michigan (MI), are in good agreement with measurements (average concentrations agree to within a factor of 2). Because the residue inventory showed no soil residues at these two sites, resulting in no emissions, the concentrations must be caused by transport; the good agreement between the modeled and measured concentrations suggests that the model simulates atmospheric transport accurately. Compared to the LA and MI sites, the measured air concentrations at two other sites having toxaphene soil residues leading to emissions, in Indiana and Arkansas, showed more pronounced seasonal variability (higher in warmer months); this pattern was also captured by the model. The model-predicted toxaphene concentration fraction on particles (0.5-5%) agrees well with measurement-based estimates (3% or 6%). There is also good agreement between modeled and measured dry (1:1) and wet (within a factor of less than 2) depositions in Lake Ontario. Additionally this study identified erroneous soil residue data around a site in Texas in a published US toxaphene residue inventory, which led to very low modeled air concentrations at this site. Except for the erroneous soil residue data around this site, the good agreement between the modeled and observed results implies that both the US and Mexican toxaphene soil residue inventories are reasonably good. This agreement also suggests that the modeling system is capable of simulating the important physical and chemical processes in the multimedia compartments.

  13. CSO and CARMA Observations of L1157. II. Chemical Complexity in the Shocked Outflow

    NASA Astrophysics Data System (ADS)

    Burkhardt, Andrew M.; Dollhopf, Niklaus M.; Corby, Joanna F.; Carroll, P. Brandon; Shingledecker, Christopher N.; Loomis, Ryan A.; Booth, Shawn Thomas; Blake, Geoffrey A.; Herbst, Eric; Remijan, Anthony J.; McGuire, Brett A.

    2016-08-01

    L1157, a molecular dark cloud with an embedded Class 0 protostar possessing a bipolar outflow, is an excellent source for studying shock chemistry, including grain-surface chemistry prior to shocks, and post-shock, gas-phase processing. The L1157-B1 and B2 positions experienced shocks at an estimated ˜2000 and 4000 years ago, respectively. Prior to these shock events, temperatures were too low for most complex organic molecules to undergo thermal desorption. Thus, the shocks should have liberated these molecules from the ice grain-surfaces en masse, evidenced by prior observations of SiO and multiple grain mantle species commonly associated with shocks. Grain species, such as OCS, CH3OH, and HNCO, all peak at different positions relative to species that are preferably formed in higher-velocity shocks or repeatedly shocked material, such as SiO and HCN. Here, we present high spatial resolution (˜3″) maps of CH3OH, HNCO, HCN, and HCO+ in the southern portion of the outflow containing B1 and B2, as observed with Combined Array for Research in Millimeter-Wave Astronomy. The HNCO maps are the first interferometric observations of this species in L1157. The maps show distinct differences in the chemistry within the various shocked regions in L1157B. This is further supported through constraints of the molecular abundances using the non-LTE code radex. We find that the east/west chemical differentiation in C2 may be explained by the contrast of the shock’s interaction with either cold, pristine material or warm, previously shocked gas, as seen in enhanced HCN abundances. In addition, the enhancement of the HNCO abundance toward the the older shock, B2, suggests the importance of high-temperature O-chemistry in shocked regions.

  14. Chemical and toxicological characterization of residential oil burner emissions: II. Mutagenic, tumorigenic, and potential teratogenic activity.

    PubMed Central

    Braun, A G; Busby, W F; Liber, H L; Thilly, W G

    1987-01-01

    Extracts of effluents from a modern residential oil burner have been evaluated in several toxicological assay systems. Bacterial mutagens were detected in extracts from both the particulate and vapor phase emissions. Effluents from continuous operation were an order of magnitude less mutagenic than those from cyclic (5 min on, 10 min off) operations. No difference in the yield of bacterial mutagens per gram of fuel burned was found between cyclic operation under low and moderate sooting conditions. On the basis of elution behavior from alumina it appeared that the bacterial mutagens collected from high sooting effluents were more polar than those from low sooting effluent. An extract that was mutagenic in bacteria did not induce a significant increase in mutation frequency to human lymphoblasts. No evidence of tumorigenicity was observed in a limited number of newborn mice after IP injection of effluent extract when compared to historical control data. Putative nonmutagenic teratogens were detected in effluent using an attachment inhibition assay. The level of these agents was reduced in effluents from continuous oil burner operation. PMID:3665866

  15. Impact of Lewis base on chemical reactivity and separation efficiency for hydrated fourth-row transition metal (II) complexes: an ONIOM DFT/MM study.

    PubMed

    He, Dingsheng; Ma, Ming

    2014-04-24

    In this paper, two-layer ONIOM combinations of high-level quantum mechanics (QM) and inexpensive molecular mechanics (MM) are successfully used to investigate the structural characters of metal (M, all the transition metals in the fourth period)-H2O-Lewis base (A(-)) complexes. Global and local descriptors of chemical reactivity and selectivity from conceptual density functional theory are employed to show the properties of the active complexes of M(H2O)2A2 and to study the effect of the Lewis base for the separation of transition metal ions. It is shown that chemical potential, hardness, electrophilicity, as well as the dual and multiphilic descriptors are adequate for characterizing the global and local reactivity trends of the M(H2O)2A2 complex. It is found that the reactivity is well localized at the metallic center in M(H2O)2A2 and the dual descriptor (ΔfM(r)) can also be used to characterize the directional attack of the electrophile and nucleophile except for the selectivity of the reaction. On the basis of the values of ωM and Δsk, and the sign of ΔfM(r), the selectivity of the nucleophilic reagent (R(-)) for M(II) in M(H2O)2A2 (from high to low) follows this order: Cu(II) > Ni(II) > Co(II) > Fe(II) ≫ Mn(II) > Zn(II) > Cr(II). The Lewis base (A(-)) improves chemical reactivity and selectivity because of changing the reaction path and forming an intermediate, which possesses the higher antibonding character and the larger HOMO/LUMO gap. NBO or AIMALL analysis and Frontier orbital theory results presented here provided more theoretical support for the above reactivity and selectivity studies.

  16. Cumulative physical uncertainty in modern stellar models. II. The dependence on the chemical composition

    NASA Astrophysics Data System (ADS)

    Valle, G.; Dell'Omodarme, M.; Prada Moroni, P. G.; Degl'Innocenti, S.

    2013-06-01

    Aims: We extend our previous work on the effects of the uncertainties on the main input physics for the evolution of low-mass stars. We analyse the dependence of the cumulative physical uncertainty affecting stellar tracks on the chemical composition. Methods: We calculated more than 6000 stellar tracks and isochrones, with metallicity ranging from Z = 0.0001 to 0.02, by changing the following physical inputs within their current range of uncertainty: 1H(p,νe+)2H, 14N(p,γ)15O and triple-α reaction rates, radiative and conductive opacities, neutrino energy losses, and microscopic diffusion velocities. The analysis was performed using a latin hypercube sampling design. We examine in a statistical way - for different metallicities - the dependence on the variation of the physical inputs of the turn-off (TO) luminosity, the central hydrogen exhaustion time (tH), the luminosity and the helium core mass at the red-giant branch (RGB) tip, and the zero age horizontal branch (ZAHB) luminosity in the RR Lyrae region. Results: For the stellar tracks, an increase in the metallicity from Z = 0.0001 to Z = 0.02 produces a cumulative physical uncertainty error variation in TO luminosity from 0.028 dex to 0.017 dex, while the global uncertainty on tH increases from 0.42 Gyr to 1.08 Gyr. For the RGB tip, the cumulative uncertainty on the luminosity is almost constant at 0.03 dex, whereas the one on the helium core mass decreases from 0.0055 M⊙ to 0.0035 M⊙. The dependence of the ZAHB luminosity error is not monotonic with Z, and it varies from a minimum of 0.036 dex at Z = 0.0005 to a maximum of 0.047 dex at Z = 0.0001. Regarding stellar isochrones of 12 Gyr, the cumulative physical uncertainty on the predicted TO luminosity and mass increases respectively from 0.012 dex to 0.014 dex and from 0.0136 M⊙ to 0.0186 M⊙. Consequently, from Z = 0.0001 to Z = 0.02 for ages typical of galactic globular clusters, the uncertainty on the age inferred from the TO luminosity

  17. Aerosol characterisation at the FEBUKO upwind station Goldlauter (II): Detailed organic chemical characterisation

    NASA Astrophysics Data System (ADS)

    Müller, K.; van Pinxteren, D.; Plewka, A.; Svrcina, B.; Kramberger, H.; Hofmann, D.; Bächmann, K.; Herrmann, H.

    An extensive set of gaseous and particulate organic compounds was quantified before an orographic cloud passage at the upwind site of the research region in Thüringer Wald. Samples were collected with two different time resolutions, 2 h for gaseous species and spray absorber samples and the whole cloud event duration to determine the concentrations of ketones, aldehydes, monocarboxylic acids, dicarboxylic acids (DCA), hydrocarbons, biogenic sugars and alcohols in both the gas and particle phase. The measurement of different groups of organic compounds delivered size-segregated concentrations at the upwind site of a cloud experiment. The size distribution of DCA showed a peak in the mass-rich impactor stage 3 (0.42-1.2 μm). The concentrations of DCA from the filters, the impactor foils as well as the spray absorber samples decreased with increasing C-number. The time resolved measurements revealed an increasing mixing ratio from night time to midday for carboxylic and DCA, and related carbonyl compounds. The biogenic compounds xylitol (up to 103 ng m -3), levoglucosan (up to 62 ng m -3) and pinonaldehyde (up to 34 ng m -3) were the compounds found in highest concentrations in the particle phase beside the oxalate (up to 104 ng m -3). The organic trace gases with the highest mixing ratios identified were formaldehyde (up to 1.47 ppbv), acetaldehyde (up to 0.84 ppbv) and acetone (up to 0.65 ppbv), acetic acid (up to 0.43 ppbv) and formic acid (up to 0.41 ppbv).

  18. Program for monitoring the chemical quality of ground water in Utah – Summary of data collected through 1984

    USGS Publications Warehouse

    Price, Don; Arnow, Ted

    1986-01-01

    The U.S. Geological Survey formally started a program for monitoring ground-water quality in Utah during 1957 in cooperation with the State of Utah. Most observation wells in the monitoring network are privately owned. Initially, the network consisted of fewer than 50 wells; by 1984, however, it had expanded to include more than 200 wells. Chemical analyses are available for water from some of the wells from as early as 1927, long before those wells were formally added to the network. The monitoring program was initiated to detect any changes in chemical quality that might be associated with the withdrawal of water from wells.Dissolved-solids concentrations in water samples collected from the observation wells through 1984 ranged from 92 to 19,000 milligrams per liter. An observation well in the Uinta Basin yielded the sample with the smallest dissolved-solids concentration, and another well in the Uinta Basin yielded the sample with the largest dissolved-solids concentration. There was a progressive increase in salinity of water produced by several of the observation wells in Pahvant Valley and in the Milford and Beryl-Enterprise areas. The increases in salinity occurred during 1950-84, coinciding with the decline of water levels due to pumping for irrigation. Water-quality changes related either to ground-water withdrawals or ground-water recharge also were detected in several other areas, including Curlew Valley, Cedar City Valley, Northern Utah Valley, the lower Bear River valley, and the Sevier Desert.Water produced from wells in Goshen Valley and the upper Fremont River valley had short term increases in chloride, sulfate, and dissolved-solids concentrations, indicating possible local contamination of the ground water. Also, since the late 1950's, dissolved-solids concentrations have increased in water produced by a well completed in the principal aquifer in Salt Lake Valley downgradient from areas where extensive use has been made of road salt.

  19. Detoxified Bacterial Endotoxins II. Preparation and Biological Properties of Chemically Modified Crude Endotoxins from Salmonella typhimurium1

    PubMed Central

    Martin, William J.; Marcus, Stanley

    1966-01-01

    Martin, William J. (University of Utah, Salt Lake City), and Stanley Marcus. Detoxified bacterial endotoxins. II. Preparation and biological properties of chemically modified crude endotoxins from Salmonella typhimurium. J. Bacteriol. 91:1750–1758. 1966.—Chemical modification of a crude endotoxin prepared by the Roschka-Edwards (RE) procedure from a strain of Salmonella typhimurium yielded products which were nontoxic for mice and had reduced fever effects in rabbits. A reduction in rabbit pyrogenicity of approximately 100 times was noted with a potassium periodate-treated RE preparation when compared with the parent RE preparation. Measured in a similar fashion, pyrogenicity of a potassium methylate-treated RE preparation was reduced by a factor of 10 while pyrogenicity of a boron trifluoride RE preparation was unchanged. All of these endotoxoids, including the parent RE preparation, showed little toxicity for mice. Immunogenicity was determined in mice by comparing Boivin, RE, and endotoxoid preparations with a heat-killed, phenol-preserved (HP) vaccine prepared from the same strain of S. typhimurium. Employing a 10 ld50 challenge, the protective immunogenicity of the respective vaccines was determined by active immunized mouse protection tests. Although two 100 μg immunizing doses of the Boivin, RE, and the respective endotoxoid preparations varied in mouse protection (potassium methylate RE > Boivin > RE > boron trifluoride RE > potassium periodate RE), it was evident that, with the exception of the potassium methylate preparation, the HP vaccine yielded greatest protection against the 10 ld50 challenge with S. typhimurium. Further mouse protection experiments suggested that the minimal immunogenic dose of the potassium methylate RE vaccine preparation was approximately 50 μg. These data indicated an approximate fivefold difference between the minimal pyrogenic dose (10 μg) and the minimal immunogenic dose (50 μg). These findings further suggest that

  20. The speciation of iron in desert dust collected in Gran Canaria (Canary Islands): Combined chemical, magnetic and optical analysis

    NASA Astrophysics Data System (ADS)

    Lázaro, Francisco J.; Gutiérrez, Lucía; Barrón, Vidal; Gelado, María D.

    Atmospheric dust collected on filters at a coastal site in Gran Canaria has been analysed by a combination of chemical, magnetic and optical methods with the aim of determining the iron speciation. The fraction of total iron as particulate (oxyhydr)oxides, determined by the citrate-bicarbonate-dithionite method, was 0.39 ± 0.11 (mean ± s.d.); the fraction of (oxyhydr)oxide iron in ferrimagnetic form, through analysis of the saturation magnetisation, was 0.053 ± 0.038 (mean ± s.d.); and the fraction of haematite iron with respect to the iron in haematite + goethite form, by diffuse reflectance spectroscopy measurements, was 0.47 ± 0.12 (mean ± s.d.). Consistent with these findings, low temperature in-phase and out-of-phase AC susceptibility measurements reveal also the presence of paramagnetic iron, most likely in silicates with ionic substitution, and indicate that, while magnetite or haematite particles may be present in the dust, their particle size should be very small, as the typical magnetic transitions characteristic of large crystals of these oxides are practically impossible to detect. The comparison of the Fe/Al elemental ratios with typical crustal values indicates that the great majority of captured dust iron has a non-anthropogenic origin. Although no significant correlations have been found between the analysed dust properties and the dust provenance, the obtained magnetic data corresponding to the dust collected at this site may be useful, as a middle step, in future magnetic monitoring studies of the iron biogeochemical cycle.

  1. Theoretical investigation of the magnetic exchange interactions in copper(II) oxides under chemical and physical pressures.

    PubMed

    Rocquefelte, Xavier; Schwarz, Karlheinz; Blaha, Peter

    2012-01-01

    It remains a challenge to understand the unconventional mechanisms that cause high-T(C) superconductivity in cuprate superconductors, high-T(C) multiferroicity in CuO, or low-dimensional magnetism in the spin-Peierls transition compounds such as CuGeO(3). A common feature of all these copper oxide compounds (containing Cu(2+) ions) is the presence of large magnetic superexchange interactions J. It is a general strategy to apply chemical and/or physical pressure in order to tune these exotic properties. Here we show theoretically, for the first time, the impact of physical pressure on J on CuO, for which we predict a strong enhancement of the low-dimensionality of the magnetic interactions and the spin-frustration at high-pressures. Such modifications are expected to strongly influence the multiferroic properties of CuO. We finally demonstrate that PBE0 hybrid DFT calculations provide reliable J values for a wide range of copper(II) oxides compounds, i.e. CuGeO(3), BaCu(2)Si(2)O(7), BaCu(2)Ge(2)O(7), and La(2)CuO(4).

  2. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

    PubMed

    Isobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi

    2016-01-19

    We have performed hybrid density functional theory (DFT) calculations to investigate how chemical equilibria can be described in the S3 state of the oxygen-evolving complex in photosystem II. For a chosen 340-atom model, 1 stable and 11 metastable intermediates have been identified within the range of 13 kcal mol(-1) that differ in protonation, charge, spin, and conformational states. The results imply that reversible interconversion of these intermediates gives rise to dynamic equilibria that involve processes with relocations of protons and electrons residing in the Mn4CaO5 cluster, as well as bound water ligands, with concomitant large changes in the cluster geometry. Such proton tautomerism and redox isomerism are responsible for reversible activation/deactivation processes of substrate oxygen species, through which Mn-O and O-O bonds are transiently ruptured and formed. These results may allow for a tentative interpretation of kinetic data on substrate water exchange on the order of seconds at room temperature, as measured by time-resolved mass spectrometry. The reliability of the hybrid DFT method for the multielectron redox reaction in such an intricate system is also addressed.

  3. Correlating chemical changes in subchondral bone mineral due to aging or defective type II collagen by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Dehring, Karen A.; Roessler, Blake J.; Morris, Michael D.

    2007-02-01

    We show that early indicators of osteoarthritis are observed in Raman spectroscopy by probing femur surfaces excised from mouse models of early-onset osteoarthritis. Current clinical methods to examine arthritic joints include radiological examination of the joint, but may not be capable of detecting subtle chemical changes in the bone tissue, which may provide the earliest indications of osteoarthritis. Recent research has indicated that the subchondral bone may have a more significant role in the onset of osteoarthritis than previously realized. We will report the effect of age and defective type II collagen on Raman band area ratios used to describe bone structure and function. The carbonate-to-phosphate ratio is used to assess carbonate substitution into the bone mineral and the mineral-to-matrix ratio is used to measure bone mineralization. Mineral-to-matrix ratios indicate that subchondral bone becomes less mineralized as both the wild-type and Del1 (+/-) transgenic mice age. Moreover, the mineral-to-matrix ratios show that the subchondral bone of Del1 (+/-) transgenic mice is less mineralized than that of the wild-type mice. Carbonate-to-phosphate ratios from Del1 (+/-) transgenic mice follow the same longitudinal trend as wild-type mice. The ratio is slightly higher in the transgenic mice, indicating more carbonate content in the bone mineral. Raman characterization of bone mineralization provides an invaluable insight into the process of cartilage degeneration and the relationship with subchondral bone at the ultrastructural level.

  4. Chemical analyses of coal, coal-associated rocks and coal combustion products collected for the National Coal Quality Inventory

    USGS Publications Warehouse

    Hatch, Joseph R.; Bullock, John H.; Finkelman, Robert B.

    2006-01-01

    In 1999, the USGS initiated the National Coal Quality Inventory (NaCQI) project to address a need for quality information on coals that will be mined during the next 20-30 years. At the time this project was initiated, the publicly available USGS coal quality data was based on samples primarily collected and analyzed between 1973 and 1985. The primary objective of NaCQI was to create a database containing comprehensive, accurate and accessible chemical information on the quality of mined and prepared United States coals and their combustion byproducts. This objective was to be accomplished through maintaining the existing publicly available coal quality database, expanding the database through the acquisition of new samples from priority areas, and analysis of the samples using updated coal analytical chemistry procedures. Priorities for sampling include those areas where future sources of compliance coal are federally owned. This project was a cooperative effort between the U.S. Geological Survey (USGS), State geological surveys, universities, coal burning utilities, and the coal mining industry. Funding support came from the Electric Power Research Institute (EPRI) and the U.S. Department of Energy (DOE).

  5. 77 FR 47666 - Agency Information Collection Activities: Proposed Collection; Comments Requested: Import/Export...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-09

    ...: Import/Export Declaration for List I and List II Chemicals; DEA Forms 486 and 486A ACTION: 60-Day Notice... Administration (DEA), will be submitting the following information collection request to the Office of Management... component of the Department of Justice sponsoring the collection: Form Number: DEA Forms 486 and...

  6. Photochemical Formation of Fe(II) and Peroxides in Coastal Seawater Collected around Okinawa Island, Japan - Impact of Red Soil Pollution

    NASA Astrophysics Data System (ADS)

    Okada, K.; Nakajima, H.; Higuchi, T.; Fujimura, H.; Arakaki, T.; Taira, H.

    2003-12-01

    In a study to elucidate the impacts of red soil pollution on the oxidizing power of seawater, photochemical formation of Fe(II) and peroxides was studied in seawaters collected around Okinawa Island, Japan. The northern part of Okinawa Island suffers from red soil pollution which is caused mainly by land development such as pineapple farming and the construction of recreational facilities. We studied photochemical formation of peroxides and Fe(II) in the same seawater samples because the reaction between HOOH and Fe(II) forms hydroxyl radical (OH radical), the most potent environmental oxidant. Photochemical formation of Fe(II) was fast and reached steady-state in 30 minutes of simulated sunlight illumination and the steady-state Fe(II) concentrations were about 80% of total iron concentrations. Photochemical formation of peroxides was relatively slow and formation kinetics varied, depending on the initial peroxide concentrations. Because photochemical formation of peroxides was faster and total iron concentrations in the red soil polluted seawater were higher, red soil polluted seawater is expected to have greater oxidizing power than seawater that is not polluted with red soil.

  7. Seizure modeling of Pb(II) and Cd(II) from aqueous solution by chemically modified sugarcane bagasse fly ash: isotherms, kinetics, and column study.

    PubMed

    Shah, Bhavna; Mistry, Chirag; Shah, Ajay

    2013-04-01

    Heavy metal pollution is a common environmental problem all over the world. The purpose of the research is to examine the applicability of bagasse fly ash (BFA)-an agricultural waste of sugar industry used for the synthesis of zeolitic material. The zeolitic material are used for the uptake of Pb(II) and Cd(II) heavy metal. Bagasse fly ash is used as a native material for the synthesis of zeolitic materials by conventional hydrothermal treatment without (conventional zeolitic bagasse fly ash (CZBFA)) and with electrolyte (conventional zeolitic bagasse fly ash in electrolyte media (ECZBFA)) media. Heavy metal ions Pb(II) and Cd(II) were successfully seized from aqueous media using these synthesized zeolitic materials. In this study, the zeolitic materials were well characterized by different instrumental methods such as Brunauer-Emmett-Teller, XRF, Fourier transform infrared spectroscopy, powder X-ray diffraction, and scanning electron microscopic microphotographs. The presence of analcime, phillipsite, and zeolite P in adsorbents confirms successful conversion of native BFA into zeolitic materials. Seizure modeling of Pb(II) and Cd(II) was achieved by batch sorption experiments, isotherms, and kinetic studies. These data were used to compare and evaluate the zeolitic materials as potential sorbents for the uptake of heavy metal ions from an aqueous media. The Langmuir isotherm correlation coefficient parameters best fit the equilibrium data which indicate the physical sorption. Pseudo-second-order and intra-particle diffusion model matches best which indicates that the rate of sorption was controlled by film diffusion. The column studies were performed for the practical function of sorbents, and breakthrough curves were obtained, which revealed higher sorption capacity as compared to batch method. Synthesized zeolitic material (CZBFA and ECZBFA), a low-cost sorbent, was proven as potential sorbent for the uptake of Pb(II) and Cd(II) heavy metal ions.

  8. Suggested protocol for collecting, handling and preparing peat cores and peat samples for physical, chemical, mineralogical and isotopic analyses.

    PubMed

    Givelet, Nicolas; Le Roux, Gaël; Cheburkin, Andriy; Chen, Bin; Frank, Jutta; Goodsite, Michael E; Kempter, Heike; Krachler, Michael; Noernberg, Tommy; Rausch, Nicole; Rheinberger, Stefan; Roos-Barraclough, Fiona; Sapkota, Atindra; Scholz, Christian; Shotyk, William

    2004-05-01

    For detailed reconstructions of atmospheric metal deposition using peat cores from bogs, a comprehensive protocol for working with peat cores is proposed. The first step is to locate and determine suitable sampling sites in accordance with the principal goal of the study, the period of time of interest and the precision required. Using the state of the art procedures and field equipment, peat cores are collected in such a way as to provide high quality records for paleoenvironmental study. Pertinent field observations gathered during the fieldwork are recorded in a field report. Cores are kept frozen at -18 degree C until they can be prepared in the laboratory. Frozen peat cores are precisely cut into 1 cm slices using a stainless steel band saw with stainless steel blades. The outside edges of each slice are removed using a titanium knife to avoid any possible contamination which might have occurred during the sampling and handling stage. Each slice is split, with one-half kept frozen for future studies (archived), and the other half further subdivided for physical, chemical, and mineralogical analyses. Physical parameters such as ash and water contents, the bulk density and the degree of decomposition of the peat are determined using established methods. A subsample is dried overnight at 105 degree C in a drying oven and milled in a centrifugal mill with titanium sieve. Prior to any expensive and time consuming chemical procedures and analyses, the resulting powdered samples, after manual homogenisation, are measured for more than twenty-two major and trace elements using non-destructive X-Ray fluorescence (XRF) methods. This approach provides lots of valuable geochemical data which documents the natural geochemical processes which occur in the peat profiles and their possible effect on the trace metal profiles. The development, evaluation and use of peat cores from bogs as archives of high-resolution records of atmospheric deposition of mineral dust and trace

  9. Developmental Effects of the ToxCast™ Phase I and Phase II Chemicals in Caenorhabditis elegans and Corresponding Responses in Zebrafish, Rats, and Rabbits

    PubMed Central

    Boyd, Windy A.; Smith, Marjolein V.; Co, Caroll A.; Pirone, Jason R.; Rice, Julie R.; Shockley, Keith R.; Freedman, Jonathan H.

    2015-01-01

    Background: Modern toxicology is shifting from an observational to a mechanistic science. As part of this shift, high-throughput toxicity assays are being developed using alternative, nonmammalian species to prioritize chemicals and develop prediction models of human toxicity. Methods: The nematode Caenorhabditis elegans (C. elegans) was used to screen the U.S. Environmental Protection Agency’s (EPA’s) ToxCast™ Phase I and Phase II libraries, which contain 292 and 676 chemicals, respectively, for chemicals leading to decreased larval development and growth. Chemical toxicity was evaluated using three parameters: a biologically defined effect size threshold, half-maximal activity concentration (AC50), and lowest effective concentration (LEC). Results: Across both the Phase I and Phase II libraries, 62% of the chemicals were classified as active ≤ 200 μM in the C. elegans assay. Chemical activities and potencies in C. elegans were compared with those from two zebrafish embryonic development toxicity studies and developmental toxicity data for rats and rabbits. Concordance of chemical activity was higher between C. elegans and one zebrafish assay across Phase I chemicals (79%) than with a second zebrafish assay (59%). Using C. elegans or zebrafish to predict rat or rabbit developmental toxicity resulted in balanced accuracies (the average value of the sensitivity and specificity for an assay) ranging from 45% to 53%, slightly lower than the concordance between rat and rabbit (58%). Conclusions: Here, we present an assay that quantitatively and reliably describes the effects of chemical toxicants on C. elegans growth and development. We found significant overlap in the activity of chemicals in the ToxCast™ libraries between C. elegans and zebrafish developmental screens. Incorporating C. elegans toxicological assays as part of a battery of in vitro and in vivo assays provides additional information for the development of models to predict a chemical

  10. Chemical analysis of refractory stratospheric aerosol particles collected within the arctic vortex and inside polar stratospheric clouds

    NASA Astrophysics Data System (ADS)

    Ebert, Martin; Weigel, Ralf; Kandler, Konrad; Günther, Gebhard; Molleker, Sergej; Grooß, Jens-Uwe; Vogel, Bärbel; Weinbruch, Stephan; Borrmann, Stephan

    2016-07-01

    Stratospheric aerosol particles with diameters larger than about 10 nm were collected within the arctic vortex during two polar flight campaigns: RECONCILE in winter 2010 and ESSenCe in winter 2011. Impactors were installed on board the aircraft M-55 Geophysica, which was operated from Kiruna, Sweden. Flights were performed at a height of up to 21 km and some of the particle samples were taken within distinct polar stratospheric clouds (PSCs). The chemical composition, size and morphology of refractory particles were analyzed by scanning electron microscopy and energy-dispersive X-ray microanalysis. During ESSenCe no refractory particles with diameters above 500 nm were sampled. In total 116 small silicate, Fe-rich, Pb-rich and aluminum oxide spheres were found. In contrast to ESSenCe in early winter, during the late-winter RECONCILE mission the air masses were subsiding inside the Arctic winter vortex from the upper stratosphere and mesosphere, thus initializing a transport of refractory aerosol particles into the lower stratosphere. During RECONCILE, 759 refractory particles with diameters above 500 nm were found consisting of silicates, silicate / carbon mixtures, Fe-rich particles, Ca-rich particles and complex metal mixtures. In the size range below 500 nm the presence of soot was also proven. While the data base is still sparse, the general tendency of a lower abundance of refractory particles during PSC events compared to non-PSC situations was observed. The detection of large refractory particles in the stratosphere, as well as the experimental finding that these particles were not observed in the particle samples (upper size limit ˜ 5 µm) taken during PSC events, strengthens the hypothesis that such particles are present in the lower polar stratosphere in late winter and have provided a surface for heterogeneous nucleation during PSC formation.

  11. The GLAS editing procedures for the FGGE level II-B data collected during SOP-1 and 2

    NASA Technical Reports Server (NTRS)

    Baker, W.; Edelmann, D.; Carus, H.

    1981-01-01

    The modifications made to the FGGE Level II-b data are discussed and the FORTRAN program developed to perform the modifications is described. It is suggested that the edited database is the most accurate one available for FGGE SOP-1 and 2.

  12. A novel cellulose-manganese oxide hybrid material by in situ soft chemical synthesis and its application for the removal of Pb(II) from water.

    PubMed

    Maliyekkal, Shihabudheen M; Lisha, Kinattukara P; Pradeep, T

    2010-09-15

    We report an in situ soft chemical synthesis of a novel hybrid material, cellulose-nanoscale-manganese oxide composite (C-NMOC), and its application for Pb(II) removal from aqueous solutions. For comparison, detailed Pb(II) adsorption studies were also performed with nanoscale-manganese oxide powder (NMO), prepared through a similar route. Various spectroscopic and microscopic techniques were used to characterize the as-synthesized materials. X-ray photoelectron spectroscopic (XPS) measurements confirmed the existence of Mn(IV) phase in NMO whereas C-NMOC showed largely the Mn(III) phase. The existence and uniform distribution of manganese oxide in cellulose fiber materials was confirmed by SEM and EDAX analyses. The adsorption studies reveal that the Pb(II) uptake onto C-NMOC is a fast process and >90% of the uptake occurred within the first 10 min contact time. The Sips isotherm predicted the equilibrium data well and the maximum Pb(II) uptake capacity of C-NMOC (4.64% Mn loading) was estimated to be 80.1 mg g(-1). The Pb(II) adsorption capacity of C-NMOC (per gram of Mn present) was several times higher than commercial manganese oxide (beta-MnO2) and at least twice larger than NMO. The experimental evidence reveals that physisorption plays a dominant role in Pb(II) adsorption by both NMO and C-NMOC.

  13. I. Multi-scale dynamics of mantle plumes and II. Compressible thermo-chemical convection and the stability of mantle superplumes

    NASA Astrophysics Data System (ADS)

    Tan, Eh

    The dynamic interaction of mantle plumes with subducted slabs and plate-scale flow is studied in Part I. We found that plumes preferentially develop on the edge of slabs and that a substantial amount of hot mantle can be trapped beneath slabs over long periods of time, leading to "mega-plume" formation. We used the solver-coupling technique to study the deflection of plume conduits and compare our result with the parameterized approach. The stability of mantle superplumes in compressible thermo-chemical convection is studied in Part II. The depth-dependent chemical density profile, caused by composition-dependent compressibility, is the preferred mechanism to stabilize the superplumes.

  14. Preconcentration and determination of mercury(II) at a chemically modified electrode containing 3-(2-thioimidazolyl)propyl silica gel.

    PubMed

    Dias Filho, Newton L; do Carmo, Devaney R; Caetano, Laércio; Rosa, André H

    2005-11-01

    A mercury-sensitive chemically modified graphite paste electrode was constructed by incorporating modified silica gel into a conventional graphite paste electrode. The functional group attached to the (3-chloropropyl) silica gel surface was 2-mercaptoimidazole, giving a new product denoted by 3-(2-thioimidazolyl)propyl silica gel, which is able to complex mercury ions. Mercury was chemically adsorbed on the modified graphite paste electrode containing 3-(2-thioimidazolyl)propyl silica (TIPSG GPE) by immersion in a Hg(II) solution, and the resultant surface was characterized by cyclic and differential pulse anodic stripping voltammetry. One cathodic peak at 0.1 V and other anodic peak at 0.34 V were observed on scanning the potential from -0.1 to 0.8 V (0.01 M KNO3; v = 2.0 mV s(-1) vs. Ag/AgCl). The anodic peak at 0.34 V show an excellent sensitivity for Hg(II) ions in the presence of several foreign ions. A calibration graph covering the concentration range from 0.02 to 2 mg L(-1) was obtained. The detection limit was estimated to be 5 microg L(-1). The precision for six determinations of 0.05 and 0.26 mg L(-1) Hg(II) was 3.0 and 2.5% (relative standard deviation), respectively. The method can be used to determine the concentration of mercury(II) in natural waters contaminated by this metal.

  15. Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol

    NASA Astrophysics Data System (ADS)

    Zienkiewicz-Machnik, Małgorzata; Masternak, Joanna; Kazimierczuk, Katarzyna; Barszcz, Barbara

    2016-12-01

    Two novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an almost perfect octahedral geometry (a chromophore of {MN2O4} type). The coordination sphere of Mn(II) is completed by two molecules of water, whereas, in polynuclear complex 2, Cu(II) atoms are linked along the a crystallographic direction by bridging sulfate ligands in a μ2-κ2 binding mode to form chains. The intermolecular interactions in 1 and 2 have been interpreted in view of the 3D Hirshfeld surface analysis and associated 2D fingerprint plots. Furthermore, the complexes have been tested with ABTSrad + assay in order to assess their antioxidant activity. In addition, the IC50 values calculated for 1 and 2 revealed that the complexes show a higher antioxidant activity than corresponding ligand.

  16. Odor and odorous chemical emissions from animal buildings: part 1 - project overview, collection methods, and quality control

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Livestock facilities have historically generated public concerns due to their emissions of odorous air and various chemical pollutants. Odor emission factors and identification of principal odorous chemicals are needed to better understand the problem. Applications of odor emission factors include i...

  17. Angiotensin II type 2 receptor regulates ROMK-like K+ channel activity in the renal cortical collecting duct during high dietary K+ adaptation

    PubMed Central

    Liao, Yi; Zavilowitz, Beth; Ren, Jin; Liu, Wen; Chan, Pokman; Rohatgi, Rajeev; Estilo, Genevieve; Jackson, Edwin K.; Wang, Wen-Hui; Satlin, Lisa M.

    2014-01-01

    The kidney adjusts K+ excretion to match intake in part by regulation of the activity of apical K+ secretory channels, including renal outer medullary K+ (ROMK)-like K+ channels, in the cortical collecting duct (CCD). ANG II inhibits ROMK channels via the ANG II type 1 receptor (AT1R) during dietary K+ restriction. Because AT1Rs and ANG II type 2 receptors (AT2Rs) generally function in an antagonistic manner, we sought to characterize the regulation of ROMK channels by the AT2R. Patch-clamp experiments revealed that ANG II increased ROMK channel activity in CCDs isolated from high-K+ (HK)-fed but not normal K+ (NK)-fed rats. This response was blocked by PD-123319, an AT2R antagonist, but not by losartan, an AT1R antagonist, and was mimicked by the AT2R agonist CGP-42112. Nitric oxide (NO) synthase is present in CCD cells that express ROMK channels. Blockade of NO synthase with N-nitro-l-arginine methyl ester and free NO with 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide potassium salt completely abolished ANG II-stimulated ROMK channel activity. NO enhances the synthesis of cGMP, which inhibits phosphodiesterases (PDEs) that normally degrade cAMP; cAMP increases ROMK channel activity. Pretreatment of CCDs with IBMX, a broad-spectrum PDE inhibitor, or cilostamide, a PDE3 inhibitor, abolished the stimulatory effect of ANG II on ROMK channels. Furthermore, PKA inhibitor peptide, but not an activator of the exchange protein directly activated by cAMP (Epac), also prevented the stimulatory effect of ANG II. We conclude that ANG II acts at the AT2R to stimulate ROMK channel activity in CCDs from HK-fed rats, a response opposite to that mediated by the AT1R in dietary K+-restricted animals, via a NO/cGMP pathway linked to a cAMP-PKA pathway. PMID:25100281

  18. Angiotensin II type 2 receptor regulates ROMK-like K⁺ channel activity in the renal cortical collecting duct during high dietary K⁺ adaptation.

    PubMed

    Wei, Yuan; Liao, Yi; Zavilowitz, Beth; Ren, Jin; Liu, Wen; Chan, Pokman; Rohatgi, Rajeev; Estilo, Genevieve; Jackson, Edwin K; Wang, Wen-Hui; Satlin, Lisa M

    2014-10-01

    The kidney adjusts K⁺ excretion to match intake in part by regulation of the activity of apical K⁺ secretory channels, including renal outer medullary K⁺ (ROMK)-like K⁺ channels, in the cortical collecting duct (CCD). ANG II inhibits ROMK channels via the ANG II type 1 receptor (AT1R) during dietary K⁺ restriction. Because AT1Rs and ANG II type 2 receptors (AT2Rs) generally function in an antagonistic manner, we sought to characterize the regulation of ROMK channels by the AT2R. Patch-clamp experiments revealed that ANG II increased ROMK channel activity in CCDs isolated from high-K⁺ (HK)-fed but not normal K⁺ (NK)-fed rats. This response was blocked by PD-123319, an AT2R antagonist, but not by losartan, an AT1R antagonist, and was mimicked by the AT2R agonist CGP-42112. Nitric oxide (NO) synthase is present in CCD cells that express ROMK channels. Blockade of NO synthase with N-nitro-l-arginine methyl ester and free NO with 2-(4-carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide potassium salt completely abolished ANG II-stimulated ROMK channel activity. NO enhances the synthesis of cGMP, which inhibits phosphodiesterases (PDEs) that normally degrade cAMP; cAMP increases ROMK channel activity. Pretreatment of CCDs with IBMX, a broad-spectrum PDE inhibitor, or cilostamide, a PDE3 inhibitor, abolished the stimulatory effect of ANG II on ROMK channels. Furthermore, PKA inhibitor peptide, but not an activator of the exchange protein directly activated by cAMP (Epac), also prevented the stimulatory effect of ANG II. We conclude that ANG II acts at the AT2R to stimulate ROMK channel activity in CCDs from HK-fed rats, a response opposite to that mediated by the AT1R in dietary K⁺-restricted animals, via a NO/cGMP pathway linked to a cAMP-PKA pathway.

  19. Manganese (II) induces chemical hypoxia by inhibiting HIF-prolyl hydroxylase: Implication in manganese-induced pulmonary inflammation

    SciTech Connect

    Han, Jeongoh; Lee, Jong-Suk; Choi, Daekyu; Lee, Youna; Hong, Sungchae; Choi, Jungyun; Han, Songyi; Ko, Yujin; Kim, Jung-Ae; Mi Kim, Young; Jung, Yunjin

    2009-03-15

    Manganese (II), a transition metal, causes pulmonary inflammation upon environmental or occupational inhalation in excess. We investigated a potential molecular mechanism underlying manganese-induced pulmonary inflammation. Manganese (II) delayed HIF-1{alpha} protein disappearance, which occurred by inhibiting HIF-prolyl hydroxylase (HPH), the key enzyme for HIF-1{alpha} hydroxylation and subsequent von Hippel-Lindau(VHL)-dependent HIF-1{alpha} degradation. HPH inhibition by manganese (II) was neutralized significantly by elevated dose of iron. Consistent with this, the induction of cellular HIF-1{alpha} protein by manganese (II) was abolished by pretreatment with iron. Manganese (II) induced the HIF-1 target gene involved in pulmonary inflammation, vascular endothelial growth factor (VEGF), in lung carcinoma cell lines. The induction of VEGF was dependent on HIF-1. Manganese-induced VEGF promoted tube formation of HUVEC. Taken together, these data suggest that HIF-1 may be a potential mediator of manganese-induced pulmonary inflammation.

  20. Chemical and isotopic data collected from groundwater, surface-water, and atmospheric precipitation sites in Upper Kittitas County, Washington, 2010-12

    USGS Publications Warehouse

    Hinkle, Stephen R.; Ely, D. Matthew

    2013-01-01

    As part of a multidisciplinary U.S. Geological Survey study of water resources in Upper Kittitas County, Washington, chemical and isotopic data were collected from groundwater, surface-water, and atmospheric precipitation sites from 2010 to 2012. These data are documented here so that interested parties can quickly and easily find those chemical and isotopic data related to this study. The locations of the samples are shown on an interactive map of the study area. This report is dynamic; additional data will be added to it as they become available.

  1. Design, synthesis, characterisation and chemical reactivity of mixed-ligand platinum(II) oxadiazoline complexes with potential cytotoxic properties.

    PubMed

    Wagner, Gabriele; Marchant, Anthony; Sayer, James

    2010-09-07

    A series of mixed ligand platinum(II) oxadiazoline complexes bearing 7-nitro-1,3,5-triazaadamantane (7-NO(2)TAA) as a labile and reactive nitrogen ligand has been synthesised from easily accessible starting materials. [2+3] cycloaddition of nitrones R(1)R(2)C-N(+)(Me)O(-) to only one of the nitrile ligands in trans-[PtX(2)(PhCN)(2)] (X = Cl, Br) results in the selective formation of mono-oxadiazoline complexes trans-[PtX(2)(PhCN){N=C(Ph)-O-N(Me)-CR(1)R(2)}] from which the remaining nitrile can be replaced by 7-NO(2)TAA. The resulting complexes trans-[PtX(2)(7-NO(2)TAA) {N=C(Ph)-O-N(Me)-CR(1)R(2)}] and their precursors were characterised by elemental analysis, IR and multinuclear NMR spectroscopy.The suitability of the target complexes as anticancer agents was extrapolated from their general chemical reactivity. They are stable in DMSO, but react with thiols and undergo aquation of a chloro ligand. In the absence of a competing ligand, the coordinated 7-NO(2)TAA ligand slowly hydrolyses in an aqueous medium under release of formaldehyde, and this could induce bioactivity independent of the one typically found with platinum compounds. With nitrogen heterocycles such as pyridine a slow exchange of the 7-NO(2)TAA ligand occurs. A combined DFT/AIM study confirms the reaction observed in the experiment and predicts that other nitrogen heterocycles such as DNA nucleobases should react in the same way. Moreover, the 7-NO(2)TAA should be even more labile in an aqueous medium where protonation of the remaining amines can occur. A PM6 molecular modelling study suggests that the PtCl(oxadiazoline) fragment formed after release of one chloro and the labile 7-NO(2)TAA ligand fits well into the DNA groove and is able to form d(GpG) intrastrand crosslinks similar to the ones observed with cisplatin.

  2. Chemical and spectroscopic characterizations, ESI-QTOF mass spectrometric measurements and DFT studies of new complexes of palladium(II) with tryptamine and mefenamic acid

    NASA Astrophysics Data System (ADS)

    Carvalho, Marcos A.; Arruda, Eduardo G. R.; Profirio, Daniel M.; Gomes, Alexandre F.; Gozzo, Fábio C.; Formiga, André L. B.; Corbi, Pedro P.

    2015-11-01

    New palladium(II) complexes with tryptamine (Pd-tra) and mefenamic acid (Pd-mef) were prepared and characterized by chemical and spectroscopic methods. Elemental, ESI-QTOF mass spectrometric and thermogravimetric analyses of the compounds confirm the composition [PdCl2(tra)2] for Pd-tra and [Pd(mef)2(bipy)] for Pd-mef. Infrared data indicate the coordination of tryptamine to Pd(II) by the nitrogen atom of the amino group, while for mefenamic acid coordination occurs by the oxygen atom of carboxylate group in a monodentate form. The 1H, 13C and {15N,1H} NMR spectroscopic data confirm the nitrogen coordination of the NH2 group of trypatmine to Pd(II) in the Pd-tra complex and also the oxygen coordination of the carboxylate group of mefenamic acid to Pd(II) in the Pd-mef complex. Density functional theory (DFT) studies were applied to determine the difference in energy between the geometric isomers (cis/trans) of Pd-tra and to optimize the structure of the Pd-mef complex. Raman spectroscopic measurements reinforce the nitrogen coordination of tryptamine to Pd(II) in the Pd-tra complex and confirms the presence of the cis-[PdCl2(tra)2] isomer in the solid state. The complexes are insoluble in water.

  3. Profiling of the Tox21 Chemical Collection for Mitochondrial Function: I. Compounds that Decrease Mitochondrial Membrane Potential

    EPA Science Inventory

    Mitochondrial dysfunction has been implicated in the pathogenesis of a variety of disorders including cancer, diabetes, and neurodegenerative and cardiovascular diseases. Understanding how different environmental chemicals and drug-like molecules impact mitochondrial function rep...

  4. Chemical composition of samples collected from waste rock dumps and other mining-related features at selected phosphate mines in southeastern Idaho, western Wyoming, and northern Utah

    USGS Publications Warehouse

    Moyle, Phillip R.; Causey, J. Douglas

    2001-01-01

    This report provides chemical analyses for 31 samples collected from various phosphate mine sites in southeastern Idaho (25), northern Utah (2), and western Wyoming (4). The sampling effort was undertaken as a reconnaissance and does not constitute a characterization of mine wastes. Twenty-five samples were collected from waste rock dumps, 2 from stockpiles, and 1 each from slag, tailings, mill shale, and an outcrop. All samples were analyzed for a suite of major, minor, and trace elements. Although the analytical data set for the 31 samples is too small for detailed statistical analysis, a summary of general observations is made.

  5. Chemical comparison and acute toxicity of water accommodated fraction (WAF) of source and field collected Macondo oils from the Deepwater Horizon spill.

    PubMed

    Faksness, Liv-Guri; Altin, Dag; Nordtug, Trond; Daling, Per S; Hansen, Bjørn Henrik

    2015-02-15

    Two Source oils and five field collected oil residues from the Deepwater Horizon incident were chemically characterized. Water accommodated fractions (WAFs) of the Source oils and two of the field-weathered oils were prepared to evaluate the impact of natural weathering on the chemical composition and the acute toxicity of the WAFs. Toxicity test species representing different tropic levels were used (the primary producer Skeletonema costatum (algae) and the herbivorous copepod Acartia tonsa). The results suggest that the potential for acute toxicity is higher in WAFs from non-weathered oils than WAFs from the field weathered oils. The Source oils contained a large fraction of soluble and bioavailable components (such as BTEX (benzene, toluene, ethyl benzene, xylenes) and naphthalene), whereas in the surface collected oils these components were depleted by dissolution into the water column as the oil rose to the surface and by evaporative loss after reaching the sea surface.

  6. Collection of chemical-specific toxicological and pharmacokinetic data to improve risk assessments based on epidemiology: Example of Mn

    EPA Science Inventory

    Data limitations led to the application of default uncertainty factors in prior risk assessments for Mn. These limitations were instrumental in the EPA generation of an alternative tier II test rule under section 211 (b) of the Clean Air Act, (fuels and fuel additives) regarding ...

  7. Chemical composition of the essential oil of Moluccella spinosa L. (Lamiaceae) collected wild in Sicily and its activity on microorganisms affecting historical textiles.

    PubMed

    Casiglia, Simona; Jemia, Mariem Ben; Riccobono, Luana; Bruno, Maurizio; Scandolera, Elia; Senatore, Felice

    2015-01-01

    In this study the chemical composition of the essential oil from aerial parts of Moluccella spinosa L. collected in Sicily was evaluated by GC and GC-MS. The main components of M. spinosa L. were α-pinene (26.6%), caryophyllene oxide (16.8%) and β-caryophyllene (8.6%). A comparison with other studied oils of genus Moluccella is made. Antibacterial and antifungal activities against some microorganisms infesting historical textiles were also determined.

  8. Physico-chemical studies and CO adsorption on zeolite-encapsulated Mn II, Mn III-hydrazone complexes

    NASA Astrophysics Data System (ADS)

    Ahmed, Ayman H.

    2007-08-01

    Complexes of Mn(II) and Mn(III) with N 2O 3 hydrazone ligand derived from salicylaldehyde and benzenesulphonylhydrazide have been encapsulated in zeolite Y- supercages by a diffusion method. The synthesized new materials have been characterized by combination of elemental analysis, FT-IR, UV-vis., magnetic measurements, XRD, thermal analysis (TG, DTG and DTA), as well as surface area measurements and nitrogen adsorption studies. Investigation of the stereochemistry of these incorporated chelates pointed out that, Mn(II) complex is tetrahedral with involvement of zeolite oxygen in coordination meanwhile Mn(III) complex has octahedral configuration without contribution of the lattice oxygen. The intrazeolitic hydrazone complexes are thermally stable up to 1000 °C without decomposition. Catalytic activity towards CO adsorption for these zeolite encapsulated complexes has been investigated and compared with Mn II-Y using in situ FT-IR spectroscopy. The results revealed that, Mn II(SBSH)/Y and Mn III(SBSH)/Y give an elementary peak near 1728 cm -1 indicating a selectivity to form sbnd COOH species while Mn II-Y catalyst gives a broad band in the region of 1765-1560 cm -1 assigned to different ( sbnd COOH) and carbonates species. On the other hand, the in situ FT-IR data indicate that Mn II(SBSH)/Y and Mn III(SBSH)/Y can be used as reactive catalysts in water gas shift reaction (WGSR).

  9. Improving the productivity of a multidimensional chromatographic preparative system by collecting pure chemicals after each of three chromatographic dimensions.

    PubMed

    Sciarrone, Danilo; Pantò, Sebastiano; Donato, Paola; Mondello, Luigi

    2016-12-02

    The enhanced sample collection capability of a heart-cutting three-dimensional GC-prep system is reported. In its original configuration, a highly pure component can be usually collected after the last (3D) column outlet by means of a dedicated preparative station. The latter is located after the last chromatographic column, and this poses the requirement for multiple heart cuts even for those components showing satisfactory degree of purity after the first (or second) separation dimension. The feasibility to collect pure components after each chromatographic dimension is here described, employing a three-dimension MDGC system equipped with high-temperature valves, located inside the first and second GC ovens, with the aim to improve the productivity of the collection procedure. In addition to a commercial preparative collector located at the 3D outlet, two laboratory-made collection systems were applied in the first and second dimension, reached by the effluent to be collected trough a high-temperature valve switching the heart-cut fraction between either the detector (FID), or the collector. Highly pure sesquiterpene components were collected, namely: patchouli alcohol after the first column [poly(5% diphenyl/95% dimethylsiloxane)], α-bulnesene after a second column coated with high molecular weight polyethylene glycol, and α-guaiene after an ionic-liquid based column (SLB-IL60), used as the third dimension. Purity levels ranging from 85 to 95% were achieved with an average collection recovery of 90% (n=5). The following average amounts were collected per run: 160μg for α-guaiene, 295μg for α-bulnesene, and 496μg for patchouli alcohol.

  10. Water-quality data-collection activities in Colorado and Ohio; Phase II, Evaluation of 1984 field and laboratory quality-assurance practices

    USGS Publications Warehouse

    Childress, Carolyn J. Oblinger; Chaney, Thomas H.; Myers, Donna; Norris, J. Michael; Hren, Janet

    1987-01-01

    Serious questions have been raised by Congress about the usefulness of water-quality data for addressing issues of regional and national scope and, especially, for characterizing the current quality of the Nation's streams and ground water. In response, the U.S. Geological Survey has undertaken a pilot study in Colorado and Ohio to (1) determine the characteristics of current (1984) water-quality data-collection activities of Federal, regional, State, and local agencies, and academic institutions; and (2) determine how well the data from these activities, collected for various purposes and using different procedures, can be used to improve our ability to answer major broad-scope questions, such as:A. What are (or were) natural or near-natural water-quality conditions?B. What are existing water-quality conditions?C. How has water quality changed, and how do the changes relate to human activities?Colorado and Ohio were chosen for the pilot study largely because they represent regions with different types of waterquality concerns and programs. The study has been divided into three phases, the objectives of which are: Phase I--Inventory water-quality data-collection programs, including costs, and identify those programs that met a set of broad criteria for producing data that are potentially appropriate for water-quality assessments of regional and national scope. Phase II--Evaluate the quality assurance of field and laboratory procedures used in producing the data from programs that met the broad criteria of Phase I. Phase III--Compile the qualifying data and evaluate the adequacy of this data base for addressing selected water-quality questions of regional and national scope.Water-quality data are collected by a large number of organizations for diverse purposes ranging from meeting statutory requirements to research on water chemistry. Combining these individual data bases is an appealing and potentially cost-effective way to attempt to develop a data base adequate

  11. Novel biosorbent with high adsorption capacity prepared by chemical modification of white pine (Pinus durangensis) sawdust. Adsorption of Pb(II) from aqueous solutions.

    PubMed

    Salazar-Rabago, J J; Leyva-Ramos, R

    2016-03-15

    The natural sawdust (NS) from white pine (Pinus durangensis) was chemically modified by a hydrothermal procedure using citric, malonic and tartaric acids. The adsorption capacity of modified sawdust (MS) towards Pb(II) was considerably enhanced due to the introduction of carboxylic groups on the surface of MS during the modification, and the adsorption capacity was almost linearly dependent on the concentration of carboxylic sites. The NS surface was acidic, and the MS surface became more acidic after the modification. At T = 25 °C and pH = 5, the maximum adsorption capacity of the optimal MS towards Pb(II) was 304 mg/g, which is exceptionally high compared to NS and other MS reported previously. The adsorption capacity of MS was considerably reduced from 304 to 154 mg/g by decreasing the solution pH from 5 to 3 due to electrostatic interactions. The adsorption of Pb(II) on MS was reversible at pH = 2, but not at pH = 5. The contribution percentage of ion exchange to the overall adsorption capacity ranged from 70 to 99% and 10-66% at the initial pH of 3 and 5, respectively. Hence, the adsorption of Pb(II) on MS was mainly due to ion exchange at pH = 3 and to both ion exchange and electrostatic attraction at pH = 5.

  12. Range and strength of pins collectively interacting with the flux-line lattice in type-II superconductors

    NASA Astrophysics Data System (ADS)

    Brandt, E. H.

    1986-09-01

    Within the theory of weak collective pinning a random pin ensemble is completely characterized by its ``strength'' W and ``range'' rp. We give, for the first time, a definition of rp and calculate W and rp for a very general case. For point pins we find W~b at b<~0.3 (b is reduced induction), and rp=0.195a (a is flux-line spacing) except for b<<1 or low temperatures where rp~=radius of the flux-line core. For extended pins rp=0.195a always holds but W(b) depends on the type and size of the pins.

  13. The chemical abundances of the stellar populations in the Leo I and II dSph galaxies

    NASA Astrophysics Data System (ADS)

    Bosler, Tammy L.; Smecker-Hane, Tammy A.; Stetson, Peter B.

    2007-06-01

    We have obtained calcium abundances and radial velocities for 102 red giant branch (RGB) stars in the Leo I dwarf spheroidal galaxy (dSph) and 74 RGB stars in the Leo II dSph using the low-resolution spectrograph (LRIS) on the Keck I 10-m telescope. We report on the calcium abundances [Ca/H] derived from the strengths of the CaII triplet absorption lines at 8498, 8542 and 8662 Å in the stellar spectra using a new empirical CaII triplet calibration to [Ca/H]. The two galaxies have different average [Ca/H] values of -1.34 +/- 0.02 for Leo I and -1.65 +/- 0.02 for Leo II with intrinsic abundance dispersions of 1.2 and 1.0 dex, respectively. The typical random and total errors in derived abundances are 0.10 and 0.17 dex per star. For comparison to the existing literature, we also converted our CaII measurements to [Fe/H] on the scale of Carretta and Gratton (1997) though we discuss why this may not be the best determinant of metallicity; Leo I has a mean [Fe/H] = -1.34 and Leo II has a mean [Fe/H] = -1.59. The metallicity distribution function of Leo I is approximately Gaussian in shape with an excess at the metal-rich end, while that of Leo II shows an abrupt cut-off at the metal-rich end. The lower mean metallicity of Leo II is consistent with the fact that it has a lower luminosity, hence lower the total mass than Leo I; thus, the evolution of Leo II may have been affected more by mass lost in galactic winds. Our direct and independent measurement of the metallicity distributions in these dSph will allow a more accurate star-formation histories to be derived from future analysis of their colour-magnitude diagrams(CMDs). Data presented herein were obtained at the W.M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation. E

  14. A ternary classification using machine learning methods of distinct estrogen receptor activities within a large collection of environmental chemicals.

    PubMed

    Zhang, Quan; Yan, Lu; Wu, Yan; Ji, Li; Chen, Yuanchen; Zhao, Meirong; Dong, Xiaowu

    2017-02-15

    Endocrine-disrupting chemicals (EDCs), which can threaten ecological safety and be harmful to human beings, have been cause for wide concern. There is a high demand for efficient methodologies for evaluating potential EDCs in the environment. Herein an evaluation platform was developed using novel and statistically robust ternary models via different machine learning models (i.e., linear discriminant analysis, classification and regression tree, and support vector machines). The platform is aimed at effectively classifying chemicals with agonistic, antagonistic, or no estrogen receptor (ER) activities. A total of 440 chemicals from the literature were selected to derive and optimize the three-class model. One hundred and nine new chemicals appeared on the 2014 EPA list for EDC screening, which were used to assess the predictive performances by comparing the E-screen results with the predicted results of the classification models. The best model was obtained using support vector machines (SVM) which recognized agonists and antagonists with accuracies of 76.6% and 75.0%, respectively, on the test set (with an overall predictive accuracy of 75.2%), and achieved a 10-fold cross-validation (CV) of 73.4%. The external predicted accuracy validated by the E-screen assay was 87.5%, which demonstrated the application value for a virtual alert for EDCs with ER agonistic or antagonistic activities. It was demonstrated that the ternary computational model could be used as a faster and less expensive method to identify EDCs that act through nuclear receptors, and to classify these chemicals into different mechanism groups.

  15. Evaluation of a hollow fiber supported liquid membrane device as a chemical surrogate for the measurements of zinc (II) bioavailability using two microalgae strains as biological references.

    PubMed

    Rodríguez-Morales, Erik A; Rodríguez de San Miguel, Eduardo; de Gyves, Josefina

    2017-03-01

    The environmental bioavailability of zinc (II), i.e., the uptake of the element by an organism, was determined using two microalgae species, Scenedesmus acutus and Pseudokirchneriella subcapitata, and estimated using hollow fiber supported liquid membrane (HF-SLM) device as the chemical surrogate. Several experimental conditions were studied including the presence of organic matter, inorganic anions and concomitant cations and pH. The results show strong positive correlation coefficients between the responses given by the HF-SLM and the microalgae species (r = 0.900 for S. acutus and r = 0.876 for P. subcapitata) in multivariate environments (changes in pH, calcium, humic and citrate concentrations). The maximum amount of zinc (II) retained by the HF-SLM (4.7 × 10(-8) mol/cm(2)) was higher than those for P. subcapitata and S. acutus (9.4 × 10(-11) mol/cm(2) and 6.2 × 10(-11) mol/cm(2), respectively). The variation in pH (pH 5.5-9) was the variable with the greatest effect on zinc internalization in all systems, increasing approximately 2.5 times for P. subcapitata and 5.5 times for S. acutus respect to pH = 5.5, while the presence of humic acids did not affect the response. The species' concentration analysis of the experimental design at pH = 5.5 indicated that the amount of internalized zinc (II) by the HF-SLM and both microalgae species is strongly dependent on the free zinc concentration (r = 0.910 for the HF-SLM, r = 0.922 for S. acutus and r = 0.954 for P. subcapitata); however, at pH = 9.0, the amount of internalized zinc (II) is strongly dependent on the sum of free zinc and labile species (r = 0.912 for the HF-SLM, r = 0.947 for S. acutus and r = 0.900 for P. subcapitata). The presence of inorganic ligands (chloride, sulfate, phosphate, carbonate, and nitrate) and metal ions (cobalt (II), copper (II), nickel (II), chromium (VI), lead (II) and cadmium (II)) produced different behaviors both in the chemical surrogate and the

  16. Chemical trends of stability and band alignment of lattice-matched II-VI/III-V semiconductor interfaces

    NASA Astrophysics Data System (ADS)

    Deng, Hui-Xiong; Luo, Jun-Wei; Wei, Su-Huai

    2015-02-01

    Using the first-principles density functional theory method, we systematically investigate the structural and electronic properties of heterovalent interfaces of the lattice-matched II-VI/III-V semiconductors, i.e., ZnTe/GaSb, ZnSe/GaAs, ZnS/GaP, and ZnO/GaN. We find that, independent of the orientations, the heterovalent superlattices with period n =6 are energetically more favorable to form nonpolar interfaces. For the [001] interface, the stable nonpolar interfaces are formed by mixing 50% group-III with 50% group-II atoms or by mixing 50% group-V with 50% group-VI atoms; for the [111] nonpolar interfaces, the mixings are 25% group-III (II) and 75% group-II (III) atoms or 25% group-V (VI) and 75% group-VI (V) atoms. For all the nonpolar interfaces, the [110] interface has the lowest interfacial energy because it has the minimum number of II-V or III-VI "wrong bonds" per unit interfacial area. The interfacial energy increases when the atomic number of the elements decreases, except for the ZnO/GaN system. The band alignments between the II-VI and III-V compounds are drastically different depending on whether they have mixed-cation or mixed-anion interfaces, but the averaged values are nearly independent of the orientations. Similarly, other than ZnO/GaN, the valence-band offsets also increase as the atomic number of the elements decreases. The abnormal trends in interfacial energy and band alignment for ZnO/GaN are primarily attributed to the very short bond lengths in this system. The underlying physics behind these trends are explained.

  17. Signal and binding. II. Converting physico-chemical responses to macromolecule-ligand interactions into thermodynamic binding isotherms.

    PubMed

    Bujalowski, Wlodzimierz; Jezewska, Maria J; Bujalowski, Paul J

    2017-03-01

    Physico-chemical titration techniques are the most commonly used methods in characterizing molecular interactions. These methods are mainly based on spectroscopic, calorimetric, hydrodynamic, etc., measurements. However, truly quantitative physico-chemical methods are absolutely based on the determination of the relationship between the measured signal and the total average degree of binding in order to obtain meaningful interaction parameters. The relationship between the observed physico-chemical signal of whatever nature and the degree of binding must be determined and not assumed, based on some ad hoc intuitive relationship/model, leading to determination of the true binding isotherm. The quantitative methods reviewed and discussed here allow an experimenter to rigorously determine the degree of binding and the free ligand concentration, i.e., they lead to the construction of the thermodynamic binding isotherm in a model-independent fashion from physico-chemical titration curves.

  18. In Vitro-In Vivo Extrapolation of Quantitative Hepatic Biotransformation Data for Fish: II. Modeled Effects on Chemical Bioaccumulation

    EPA Science Inventory

    The goals of this study were to evaluate the potential for measured in vitro rates of metabolism in fish to impact chemical bioaccumulation, and establish a basis for making comparisons among the two modeling approaches.

  19. Validation of DSMC results for chemically nonequilibrium air flows against measurements of the electron number density in RAM-C II flight experiment

    SciTech Connect

    Shevyrin, Alexander A.; Vashchenkov, Pavel V.; Bondar, Yevgeniy A.; Ivanov, Mikhail S.

    2014-12-09

    An ionized flow around the RAM C-II vehicle in the range of altitudes from 73 to 81 km is studied by the Direct Simulation Monte Carlo (DSMC) method with three models of chemical reactions. It is demonstrated that vibration favoring in reactions of dissociation of neutral molecules affects significantly the predicted values of plasma density in the shock layer, and good agreement between the results of experiments and DSMC computations can be achieved in terms of the plasma density as a function of the flight altitude.

  20. Spectroscopy of highly luminescent 1,3,5-triazapentadiene complexes of platinum(II) in solution and in the adsorbed and solid states and quantum-chemical interpretation

    NASA Astrophysics Data System (ADS)

    Lyalin, G. N.; Litke, S. V.; Gushchin, P. V.; Maslov, V. G.

    2012-02-01

    We have measured the absorption, luminescence, and luminescence excitation spectra, as well as the excited-state lifetimes and luminescence quantum yields, of 1,3,5-triazapentadiene complexes of platinum(II) in a solution, in the solid state, in an adsorbed state on a SiO2 surface, and in a polystyrene matrix at room temperature and at 77 K. We also have performed quantum-chemical calculations of the equilibrium geometry of the ground and excited states of the complexes and of the nature and structure of molecular orbitals.

  1. (Collection of North Pacific Ocean surface seawater samples for chemical analysis): Foreign trip report, January 26--February 27, 1988

    SciTech Connect

    Goddard, J.G.

    1988-03-04

    This trip was a continuation of the sampling program undertaken during 1984--1985 to study the seasonal and regional variability of CO/sub 2/ chemistry in high latitude deep water formation areas of the North Pacific. The work is conducted by Columbia University (Dr. Taro Takahashi, Principal Investigator) for the Department of Energy's Energy Systems Program managed by Oak Ridge National Laboratory. Aboard the PRESIDENT ARTHUR, surface seawater samples were collected at forty-one stations along the route from Oakland, California, to Keeling, Taiwan, via Guam. On the return trip, samples were collected from thirty-seven stations during transit from Keelung to Los Angeles, California.

  2. Fractionally distilled SRC-I, SRC-II, EDS, H-Coal and ITSL direct coal liquefaction process materials: a comparative summary of chemical analysis and biological testing

    SciTech Connect

    Wright, C.W.; Later, D.W.; Dauble, D.D.; Wilson, B.W.

    1985-07-01

    This document reports and compares the results compiled from chemical analyses and biological testing of coal liquefaction process materials which were fractionally distilled, after production, into various comparable boiling-point range cuts. Comparative analyses were performed on solvent refined coal (SRC)-I, SRC-II, H-Coal, EDS an integrated two-stage liquefaction (ITSL) distillate materials. Mutagenicity and carcinogenicity assays were conducted in conjunction with chromatographic and mass spectrometric analyses to provide detailed, comparative, chemical and biological assessments. Where possible, results obtained from the distillate cuts are compared to those from coal liquefaction materials with limited boiling ranges. Work reported here was conducted by investigators in the Biology and Chemistry Department at the Pacific Northwest Laboratory (PNL), Richland, WA. 38 refs., 16 figs., 27 tabs.

  3. Quantum-chemical, NMR, FT IR, and ESI MS studies of complexes of colchicine with Zn(II).

    PubMed

    Jankowski, Wojciech; Kurek, Joanna; Barczyński, Piotr; Hoffmann, Marcin

    2017-04-01

    Colchicine is a tropolone alkaloid from Colchicinum autumnale. It shows antifibrotic, antimitotic, and anti-inflammatory activities, and is used to treat gout and Mediterranean fever. In this work, complexes of colchicine with zinc(II) nitrate were synthesized and investigated using DFT, (1)H and (13)C NMR, FT IR, and ESI MS. The counterpoise-corrected and uncorrected interaction energies of these complexes were calculated. We also calculated their (1)H, (13)C NMR, and IR spectra and compared them with the corresponding experimentally obtained data. According to the ESI MS mass spectra, colchicine forms stable complexes with zinc(II) nitrate that have various stoichiometries: 2:1, 1:1:1, and 2:1:1 with respect to colchichine, Zn(II), and nitrate ion. All of the complexes were investigated using the quantum theory of atoms in molecules (QTAIM). The calculated and the measured spectra showed differences before and after the complexation process. Calculated electron densities and bond critical points indicated the presence of bonds between the ligands and the central cation in the investigated complexes that satisfied the quantum theory of atoms in molecules. Graphical Abstract DFT, NMR, FT IR, ESI MS, QTAIM and puckering studies of complexes of colchicine with Zn(II).

  4. Organic Chemical Concentrations and Reproductive Biomarkers in Common Carp (Cyprinus carpio) Collected from Two Areas in Lake Mead, Nevada, May 1999-May 2000

    USGS Publications Warehouse

    Goodbred, Steven L.; Leiker, Thomas J.; Patiño, Reynaldo; Jenkins, Jill A.; Denslow, Nancy D.; Orsak, Erik; Rosen, Michael R.

    2007-01-01

    The U.S. Geological Survey, in cooperation with the U.S. Fish and Wildlife Service, National Park Service, Bureau of Reclamation, and Nevada Department of Wildlife, collected and assessed data to determine the general health and reproductive status of common carp (Cyprinus carpio) at two study areas in Lake Mead, Nevada, during May 1999-May 2000. These data will form the basis of interpretations and provide a comparison for continuing studies on the health of the ecosystem in Lake Mead. One study area, Las Vegas Bay, is in the western part of Lake Mead. Las Vegas Bay receives inflows from Las Vegas Wash, which is predominantly tertiary-treated wastewater effluent, and to a lesser extent stormwater runoff from Las Vegas, Henderson, and other nearby communities, and from ground water underlying Las Vegas Valley. The other study area, Overton Arm, is in the northern extent of Lake Mead. Overton Arm receives inflow from the Virgin and Muddy Rivers, which historically are not influenced by wastewater effluent. Both sexes of common carp were collected bimonthly for 12 months using boat-mounted electrofishing gear (a direct electric current is used to temporarily immobilize fish for capture) to determine their health and reproductive status and any relation between these factors and environmental contaminants. This report presents fish tissue chemistry, organic chemical compound concentrations, and biomarker data for 83 male common carp collected from Las Vegas Bay, similar organic chemistry results for 15 male common carp, and similar biomarker measures for 80 male common carp collected from Overton Arm. Tissue chemistry results also are presented for 16 female common carp and biomarker measures for 79 female common carp collected from Las Vegas Bay, and tissue chemistry results for 15 female common carp and biomarker measures for 81 female common carp collected from Overton Arm. Thirty-three organic chemical compounds plus total concentrations for four groups of

  5. Results of toxicity tests and chemical analyses conducted on sediments collected from the TNX Outfall Delta Operable Unit, July 1999

    SciTech Connect

    Specht, W.L.

    2000-02-11

    In order to provide unit specific toxicity data that will be used to address critical uncertainty in the ecological risk assessment (ERA) for the TNX Outfall Delta Operable Unit (TNXOD OU), sediments were collected from eight locations in the Inner Swamp portion of the operable unit and two unit specific background locations. These samples were analyzed for total mercury, total uranium, and sediment toxicity.

  6. Rapid adsorption of toxic Pb(II) ions from aqueous solution using multiwall carbon nanotubes synthesized by microwave chemical vapor deposition technique.

    PubMed

    Mubarak, Nabisab Mujawar; Sahu, Jaya Narayan; Abdullah, Ezzat Chan; Jayakumar, Natesan Subramanian

    2016-07-01

    Multiwall carbon nanotubes (MWCNTs) were synthesized using a tubular microwave chemical vapor deposition technique, using acetylene and hydrogen as the precursor gases and ferrocene as catalyst. The novel MWCNT samples were tested for their performance in terms of Pb(II) binding. The synthesized MWCNT samples were characterized using Fourier Transform Infrared (FT-IR), Brunauer, Emmett and Teller (BET), Field Emission Scanning Electron Microscopy (FESEM) analysis, and the adsorption of Pb(II) was studied as a function of pH, initial Pb(II) concentration, MWCNT dosage, agitation speed, and adsorption time, and process parameters were optimized. The adsorption data followed both Freundlich and Langmuir isotherms. On the basis of the Langmuir model, Qmax was calculated to be 104.2mg/g for the microwave-synthesized MWCNTs. In order to investigate the dynamic behavior of MWCNTs as an adsorbent, the kinetic data were modeled using pseudo first-order and pseudo second-order equations. Different thermodynamic parameters, viz., ∆H(0), ∆S(0) and ∆G(0) were evaluated and it was found that the adsorption was feasible, spontaneous and endothermic in nature. The statistical analysis revealed that the optimum conditions for the highest removal (99.9%) of Pb(II) are at pH5, MWCNT dosage 0.1g, agitation speed 160r/min and time of 22.5min with the initial concentration of 10mg/L. Our results proved that microwave-synthesized MWCNTs can be used as an effective Pb(II) adsorbent due to their high adsorption capacity as well as the short adsorption time needed to achieve equilibrium.

  7. Chemical modifications of the vasoconstrictor peptide angiotensin II by nitrogen oxides (NO, HNO2, HOONO)--evaluation by mass spectrometry.

    PubMed

    Ducrocq, C; Dendane, M; Laprévote, O; Serani, L; Das, B C; Bouchemal-Chibani, N; Doan, B T; Gillet, B; Karim, A; Carayon, A; Payen, D

    1998-04-01

    Nitric oxide (NO) and angiotensin II are natural regulators of blood pressure. Under aerobic conditions, NO is transformed into its higher oxides (N2O4, NO2, NO/NO2 or N2O3) and oxoperoxonitrate (currently named peroxynitrite) by coupling with superoxide. Previous studies have shown that these reactive nitrogen species should be involved in vivo in the transformation of cysteine and tyrosine into the corresponding nitrosothiol and 3-nitrotyrosine. In the present study, attention has been focused on the relative reactivities of HNO2, peroxynitrite, and NO in the presence of dioxygen, towards the arginine and tyrosine residues of the peptide angiotensin II. Nitration of the tyrosine residue is clearly the main reaction with peroxynitrite. By contrast, besides 20% of nitration of the tyrosine residue, NO in the presence of dioxygen leads to nitrosation reactions with the arginine residue similar to those observed with HNO2 at pH 5, possibly through the intermediate N2O3 reactive species. Angiotensin II is converted for the most part to peptides having lost either a terminal amine function or the whole guanido group, leading respectively to citrulline-containing angiotensin II or to a diene derivative. Identification established mainly by tandem mass spectrometry of peptidic by-products allows us to propose a cascade of nitrosations of all the amine functions of the arginine residue. Further in vivo studies show that transformations of the arginine residue in angiotensin II do not alter its vasoconstrictive properties, whereas nitration of the tyrosine residue totally inhibits them.

  8. Variations in physical, chemical and biological properties in relation to sludge dewaterability under Fe (II) - Oxone conditioning.

    PubMed

    Xiao, Keke; Chen, Yun; Jiang, Xie; Yang, Qin; Seow, Wan Yi; Zhu, Wenyu; Zhou, Yan

    2017-02-01

    The mechanism of Fe (II) - oxone conditioning to improve sludge dewaterability was investigated in this study. Five different types of sludge were tested, including raw sludge (Group 1: mixed primary and secondary sludge, waste activated sludge and anaerobic digested sludge) and pretreated sludge with prior solubilisation (Group 2: ultrasonic or thermal pretreated sludge). After Fe (II) - oxone conditioning, the concentrations of dissolved organic carbon, protein and polysaccharide of soluble extracellular polymeric substances (SB EPS) increased for Group 1, but decreased for Group 2. For all types of sludge investigated, the related organic compounds of loosely bound (LB) and tightly bound (TB) EPS decreased with Fe (II) - oxone conditioning, and increased sludge filterability showed strong and positive correlation with the removal of low molecular weight protein and neutrals in LB EPS. Fe (II) - oxone was very effective in disintegrating cell membrane and caused potential cell lysis, as indicated by increased percentage of damaged microbial cells. From this study, the mechanism of Fe (II) - oxone conditioning was proposed and can be divided into two steps: (1) Oxidation step - sulfate radicals degraded organic compounds in LB and TB EPS in sludge and transformed bound water to free water that was trapped in TB and LB EPS; It also damaged cells membrane and may help to release intracellular water content. Sludge flocs were broken into smaller particles; (2) Coagulation step - Fe (III), generated from the oxidation step can act as a coagulant to agglomerate smaller particles into larger ones and reduce the repulsive electrostatic interactions. Combined effects from above two steps can greatly improve sludge filterability.

  9. Report on NCI symposium: comparison of mechanisms of carcinogenesis by radiation and chemical agents. II. Cellular and animal models

    SciTech Connect

    Fry, R.J.M.

    1984-01-01

    The point at which the common final pathway for induction of cancer by chemical carcinogens and ionizing radiation has not been identified. Although common molecular targets are suggested by recent findings about the role of oncogenes, the mechanism by which the deposition of radiation energy and the formation of adducts or other DNA lesions induced by chemicals affects the changes in the relevant targets may be quite different. The damage to DNA that plays no part in the transformation events, but that influences the stability of the genome, and therefore, the probability of subsequent changes that influence tumorigenesis may be more readily induced by some agents than others. Similarly, the degree of cytotoxic effects that disrupt tissue integrity and increase the probability of expression of initiated cells may be dependent on the type of carcinogen. Also, evidence was presented that repair of the initial lesions could be demonstrated after exposure to low-LET radiation but not after exposure to chemical carcinogens.

  10. Results of chemical and stable isotopic analyses of water samples collected in the Patagonia Mountains, southern Arizona

    USGS Publications Warehouse

    Wanty, Richard B.; Shanks, Wayne C.; Lamothe, Paul; Meier, A.L.; Lichte, Fred; Briggs, Paul H.; Berger, Byron R.

    2001-01-01

    Water samples were collected in the Patagonia Mountains in February, 1997. Most of the samples were collected from portals of abandoned mines, or from stream drainages immediately downstream from abandoned mines. Most of the samples have low pH ( 1000 mg/L). Anion composition of the water samples is dominated by sulfate, while cation compositions range from calcium-dominated to mixed calcium-magnesium or calcium-sodium-dominated waters. Metals such as iron, manganese, copper, zinc, and aluminum contribute a significant portion (>10%) of the cation content to the water samples. Because of the low pH?s, protons contribute up to several percent of the cation character of the waters in some of the samples. The data are presented in tabular and graphical formats, with descriptions of data quality and brief descriptions of results.

  11. Comparison of the chemical composition of Valeriana parviflora essential oils collected in the Venezuelan Andes in two different seasons.

    PubMed

    Fernández, Sammy; Rondón, María; Rojas, Janne; Morales, Antonio; Rojas-Fermin, Luis

    2015-04-01

    The essential oils obtained by hydrodistillation of the aerial parts of Valerianaparviflora (Trevir) BM Vadillo, an endemic species of the Venezuelan Andes, collected from the same location in two different seasons (dry and rainy) of the year, were analyzed by GC/MS. The essential oil obtained during the dry season showed linalool (11.9%), eugenol (8.9%), p-menth-l-en-9-al (8.7%) and α-terpineol (7.7%) as main components, while the oil obtained from the rainy season collection showed o-xylol (16.2%), 3-methyl isovaleric acid (10.6%) and geranial (9.5%) as major compounds. Some of the differences in the composition of these oils might be due to the climatic conditions at the time of harvesting.

  12. Chemical synthesis of methyl 6'-alpha-maltosyl-alpha-maltotrioside and its use for investigation of the action of starch synthase II.

    PubMed

    Damager, Iben; Olsen, Carl Erik; Blennow, Andreas; Denyer, Kay; Møller, Birger Lindberg; Motawia, Mohammed Saddik

    2003-01-20

    The branched pentasaccharide methyl 6'-alpha-maltosyl-alpha-maltotrioside was chemically synthesised and investigated as a primer for particulate starch synthase II (SSII) using starch granules prepared from the low-amylose pea mutant lam as the enzyme source. For chemical synthesis, the trichloroacetimidate activation method was used to synthesise methyl O-(2,3,4,6-tetra-O-benzyl-alpha-D-glucopyranosyl)-(1-->4)-O-(2,3,6-tri-O-benzyl-alpha-D-glucopyranosyl)-(1-->6)-O-[(2,3,4,6-tetra-O-benzyl-alpha-D-glucopyranosyl-(1-->4)]-O-(2,3-di-O-benzyl-alpha-D-glucopyranosyl)-(1-->4)-2,3,6-tri-O-benzyl-alpha-D-glucopyranoside, which was then debenzylated to provide the desired branched pentasaccharide methyl 6'-alpha-maltosyl-alpha-maltotrioside as documented by 1H and 13C NMR spectroscopy. Using a large excess of the maltoside, the pentasaccharide was tested as a substrate for starch synthase II (SSII). Both of the non-reducing ends of methyl 6'-alpha-maltosyl-alpha-maltotrioside were extended equally resulting in two hexasaccharide products in nearly equal amounts. Thus, SSII catalyses an equimolar and non-processive elongation reaction of this substrate. Accordingly, the presence of the alpha-1,6 linkages does not dictate a specific structure of the pentasaccharide in which only one of the two non-reducing ends are available for extension.

  13. Chemical Characterization of Individual Particles and Residuals of Cloud Droplets and Ice Crystals Collected On Board Research Aircraft in the ISDAC 2008 Study

    SciTech Connect

    Hiranuma, Naruki; Brooks, Sarah D.; Moffet, Ryan C.; Glen, Andrew; Laskin, Alexander; Gilles, Marry K.; Liu, Peter; MacDonald, A. M.; Strapp, J. Walter; McFarquhar, Greg

    2013-06-24

    Although it has been shown that size of atmospheric particles has a direct correlation with their ability to act as cloud droplet and ice nuclei, the influence of composition of freshly emitted and aged particles in nucleation processes is poorly understood. In this work we combine data from field measurements of ice nucleation with chemical imaging of the sampled particles to link aerosol composition with ice nucleation ability. Field measurements and sampling were conducted during the Indirect and Semidirect Aerosols Campaign (ISDAC) over Barrow, Alaska, in the springtime of 2008. In-situ ice nucleation measurements were conducted using a Continuous Flow Diffusion Chamber (CFDC). Measured number concentrations of ice nuclei (IN) varied from frequent values of 0.01 per liter to more than 10 per liter. Residuals of airborne droplets and ice crystals were collected through a counterflow virtual impactor (CVI). The compositions of individual atmospheric particles and the residuals were studied using Computer Controlled Scanning Electron Microscopy with Energy Dispersive X-ray analysis (CCSEM/EDX) and Scanning Transmission X-ray Microscopy coupled with Near Edge X-ray Absorption Fine Structure spectroscopy (STXM/NEXAFS). Chemical analysis of cloud particle residuals collected during an episode of high ice nucleation suggests that both size and composition may influence aerosol's ability to act as IN. The STXM/NEXAFS chemical composition maps of individual residuals have characteristic structures of either inorganic or black carbon cores coated by organic materials. In a separate flight, particle samples from a biomass burning plume were collected. Although it has previously been suggested that episodes of biomass burning contribute to increased numbers of highly effective ice nuclei, in this episode we observed that only a small fraction were effective ice nuclei. Most of the particles from the biomass plume episode were smaller in size and were composed of

  14. Highly sensitive sensing of zinc(II) by development and characterization of a PVC-based fluorescent chemical sensor.

    PubMed

    Aksuner, Nur; Henden, Emur; Yenigul, Berrin; Yilmaz, Ibrahim; Cukurovali, Alaaddin

    2011-03-01

    A sensor membrane with excellent performance based on 1-methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane has been developed for the determination of zinc(II) ions. The sensing membrane is capable of determining zinc(II) with an outstanding high selectivity over a dynamic range between 8.0×10(-8) and 1.6×10(-4) mol L(-1) with a limit of detection of 2.5×10(-8) mol L(-1) (1.6 μg L(-1)). It can be easily and completely regenerated by using 0.1 mol L(-1) EDTA solution. The optical sensor developed here was found to be stable, cost effective, easy to prepare, and has unique selectivity towards Zn(2+) ion with respect to common metal ions. The proposed sensor was then applied for the determination of zinc in tap water and hair samples with satisfactory results.

  15. 78 FR 36580 - Agency Information Collection Activities; Proposed Collection; Comments Requested: Import/Export...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-18

    ...: Import/Export Declaration for List I and List II Chemicals; DEA Forms 486 and 486A ACTION: 30-Day Notice. The Department of Justice (DOJ), Drug Enforcement Administration (DEA) will be submitting the... Department sponsoring the collection: Form number: DEA Forms 486 and 486A. Component: Office of...

  16. Chemical composition of five wild edible mushrooms collected from Southwest China and their antihyperglycemic and antioxidant activity.

    PubMed

    Liu, Yun-Tao; Sun, Jun; Luo, Ze-Yu; Rao, Sheng-Qi; Su, Yu-Jie; Xu, Rong-Rong; Yang, Yan-Jun

    2012-05-01

    Evaluation of the chemical composition and antihyperglycemic and antioxidant activity of five wild edible mushrooms (Clitocybe maxima, Catathelasma ventricosum, Stropharia rugoso-annulata, Craterellus cornucopioides and Laccaria amethystea) from Southwest China. The chemical composition assay includes proximate analysis (moisture, ash, crude protein, crude fat, total carbohydrates and total energy), bioactive compounds analysis (total phenolic, flavonoid, ascorbic acid, ergosterol, tocopherol), fatty acid analysis, amino acid analysis, phenolic compounds analysis and mineral analysis of these mushrooms. Furthermore, assays of α-glucosidase inhibitory and α-amylase inhibitory activity were used for evaluating antihyperglycemic activity of the mushrooms, and assays of reducing power, chelating effect on ferrous ions, scavenging effect on hydroxyl free radicals and 1,1-Diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activity were used for evaluating antioxidant activity of the mushrooms. Based on the results, ethanolic and aqueous extract of these mushroom all showed antihyperglycemic and antioxidant potential. In particular, the aqueous extract of C. ventricosum revealed the highest α-glucosidase inhibitory activity (EC50 value 2.74 μg/mL), DPPH radical scavenging activity (EC50 value 2.86 mg/mL) and reducing power (EC50 value 0.96 mg/mL), while the aqueous extract of L. amethystea showed the highest α-amylase inhibitory activity (EC50 value 4.37 μg/mL) and metal chelating activity (EC50 value 2.13 mg/mL).

  17. Chemical Products in the Home, Workshop and Garden. Proceed with Caution; Consumer Safety in the Home, II.

    ERIC Educational Resources Information Center

    Saskatchewan Consumer and Commercial Affairs, Regina.

    The average home has chemical products to clean floors, kill insects, clean ovens, thin paint, remove grease, and perform countless other chores. Many consumers remain unaware of the dangers these products bring into the home. This booklet provides information on the safe use, storage, and disposal of these products. The compounds found in…

  18. Extraction and physico-Chemical studies of Diastase-Like Enzyme from piper betel petioles: Part II

    PubMed Central

    Sarma, G. V. S. Rama; Dutta, Sadhan Kumar

    1998-01-01

    Crude enzyme extract obtained from the petioles of the plant piper betel- Bengal variety as been evaluated for various physico-chemical studs such as estimation of protein content, thin layer chromatography, optical activity and tests for the presence of thiol groups, disulphide and peptide linkages and the results are discussed. PMID:22556852

  19. Biological profiling of the ToxCast Phase II Chemical Library in Primary Human Cell Co-Culture Systems

    EPA Science Inventory

    The U.S. EPA’s ToxCast research project was developed to address the need for high-throughput testing of chemicals and a pathway-based approach to hazard screening. Phase I of ToxCast tested over 300 unique compounds (mostly pesticides and antimicrobials). With the addition of Ph...

  20. Chemical Defense Collective Protection Technology. Volume 2. Effects of Airlock Airflow Pattern, Clothing, and Exposure Concentration on Vapor Transport

    DTIC Science & Technology

    1987-04-01

    Exposure Concentra’tion on Vapor Transport James P. Conklo, Ph.D. U Roberto E. Miranda , B.S. 0 Janeile Thomas, B.S. M Joseph R. Fischer, Jr., M.S. Roger W...collective protection facil- ities and their associated contaminant control areas. REFERENCES 1. Conkle, J. P., R. E. Miranda , J. R. Fischer, Jr., R...one or more tubes of Vycor brand porous ("Thirsty") glass, with 40-R pore diameter, extend through Cajon Ultra-torr S-4UT1-4 fittings, which have

  1. Physical and Chemical Data from Eolian Sediment Collected Along a Transect from the Mojave Desert to the Colorado Plateau

    USGS Publications Warehouse

    Goldstein, Harland L.; Reynolds, Richard L.; Reheis, Marith C.; Yount, James C.; Lamothe, Paul J.

    2007-01-01

    This report presents data and describes the methodology for magnetic, geochemical, and textural measurements of sediment and bedrock samples collected along a transect across the Southwestern United States (fig. 1). The results presented here support a study that examines compositional variations of mineral dust deposited during the past few centuries in isolated natural traps spanning a region from the Mojave Desert of southern California to the central Colorado Plateau (Goldstein and others, in press; fig. 1). In particular, the study addresses the spatial and temporal variations in dust composition in the context of landscape geochemistry over a large area of the southwestern United States.

  2. Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

    SciTech Connect

    Alves, Vinicius M.; Muratov, Eugene; Fourches, Denis; Strickland, Judy; Kleinstreuer, Nicole; Tropsha, Alexander

    2015-04-15

    Skin permeability is widely considered to be mechanistically implicated in chemically-induced skin sensitization. Although many chemicals have been identified as skin sensitizers, there have been very few reports analyzing the relationships between molecular structure and skin permeability of sensitizers and non-sensitizers. The goals of this study were to: (i) compile, curate, and integrate the largest publicly available dataset of chemicals studied for their skin permeability; (ii) develop and rigorously validate QSAR models to predict skin permeability; and (iii) explore the complex relationships between skin sensitization and skin permeability. Based on the largest publicly available dataset compiled in this study, we found no overall correlation between skin permeability and skin sensitization. In addition, cross-species correlation coefficient between human and rodent permeability data was found to be as low as R{sup 2} = 0.44. Human skin permeability models based on the random forest method have been developed and validated using OECD-compliant QSAR modeling workflow. Their external accuracy was high (Q{sup 2}{sub ext} = 0.73 for 63% of external compounds inside the applicability domain). The extended analysis using both experimentally-measured and QSAR-imputed data still confirmed the absence of any overall concordance between skin permeability and skin sensitization. This observation suggests that chemical modifications that affect skin permeability should not be presumed a priori to modulate the sensitization potential of chemicals. The models reported herein as well as those developed in the companion paper on skin sensitization suggest that it may be possible to rationally design compounds with the desired high skin permeability but low sensitization potential. - Highlights: • It was compiled the largest publicly-available skin permeability dataset. • Predictive QSAR models were developed for skin permeability. • No concordance between skin

  3. Omega-3 fatty acid supplementation decreases DNA damage in brain of rats subjected to a chemically induced chronic model of Tyrosinemia type II.

    PubMed

    Carvalho-Silva, Milena; Gomes, Lara M; Scaini, Giselli; Rebelo, Joyce; Damiani, Adriani P; Pereira, Maiara; Andrade, Vanessa M; Gava, Fernanda F; Valvassori, Samira S; Schuck, Patricia F; Ferreira, Gustavo C; Streck, Emilio L

    2017-03-18

    Tyrosinemia type II is an inborn error of metabolism caused by a mutation in a gene encoding the enzyme tyrosine aminotransferase leading to an accumulation of tyrosine in the body, and is associated with neurologic and development difficulties in numerous patients. Because the accumulation of tyrosine promotes oxidative stress and DNA damage, the main aim of this study was to investigate the possible antioxidant and neuroprotective effects of omega-3 treatment in a chemically-induced model of Tyrosinemia type II in hippocampus, striatum and cerebral cortex of rats. Our results showed chronic administration of L-tyrosine increased the frequency and the index of DNA damage, as well as the 8-hydroxy-2'-deoxyguanosine (8-OHdG) levels in the hippocampus, striatum and cerebral cortex. Moreover, omega-3 fatty acid treatment totally prevented increased DNA damage in the striatum and hippocampus, and partially prevented in the cerebral cortex, whereas the increase in 8-OHdG levels was totally prevented by omega-3 fatty acid treatment in hippocampus, striatum and cerebral cortex. In conclusion, the present study demonstrated that the main accumulating metabolite in Tyrosinemia type II induce DNA damage in hippocampus, striatum and cerebral cortex, possibly mediated by free radical production, and the supplementation with omega-3 fatty acids was able to prevent this damage, suggesting that could be involved in the prevention of oxidative damage to DNA in this disease. Thus, omega-3 fatty acids supplementation to Tyrosinemia type II patients may represent a new therapeutic approach and a possible adjuvant to the curren t treatment of this disease.

  4. Chemical and physical passivation of type II strained-layer superlattice devices by means of thiolated self-assembled monolayers and polymer encapsulates

    NASA Astrophysics Data System (ADS)

    Henry, Nathan C.; Knorr, Daniel B.; Williams, Kristen S.; Baril, Neil; Nallon, Eric; Lenhart, Joseph L.; Andzelm, Jan W.; Pellegrino, Joseph; Tidrow, Meimei; Cleveland, Erin; Bandara, Sumith

    2015-05-01

    The efficacy of solution deposition of thiolated self-assembled monolayers (SAMs) has been explored for the purpose of passivating III-V type II superlattice (T2SL) photodetectors, more specifically a p-type heterojunction device. Sulfur passivation has previously been achieved on T2SL devices. However, degradation over time, temperature sensitivity and inconsistent reproducibility necessitate a physical encapsulate that can chemically bond to the chemical passivant. Thus, this research investigates two passivation methods, surface passivation with a thiol monolayer and passivation with a polymer encapsulant with a view toward future combination of these techniques. Analysis of the physical and chemical condition of the surface prior to deposition assisted in the development of ideal processes for optimized film quality. Successful deposition was facilitated by in situ oxide removal. Various commercially available functional (cysteamine) and non-functional (alkane) thiolated monolayers were investigated. Dark current was reduced by 3 orders of magnitude and achieved negligible surface leakage at low bias levels. The lowest dark current result, 7.69 × 10-6 A/cm2 at 50 mV, was achieved through passivation with cysteamine.

  5. Radial metallicity gradients in spiral galaxies from H II regions and planetary nebulae: probing galactic chemical evolution

    NASA Astrophysics Data System (ADS)

    Stanghellini, Letizia

    2015-08-01

    Radial metallicity gradients, typically observed in spiral galaxies, are excellent constraints for chemical evolution models. The contemporary studies of the two stellar populations, whose progenitors have formed at different times, yield to the chemical and time constraining of the models. In this context, planetary nebula and HII region analysis proved to be ideal two-epochs test populations. We present an assortment of galaxies whose oxygen abundances have been determined both with weak- and strong-line methods, and whose radial metallicity gradients and their evolution in time have disclosed very interesting correlations with the galaxy characteristics. New results from our Gemini/GMOS observations, and a review of the best literature data, set the stage for a better understanding of spiral galaxy evolution.

  6. History of the Chemical Warfare Service in World War II. Biological Warfare Research in the United States, Volume 2

    DTIC Science & Technology

    1947-11-01

    you irill undertake the appointment of an appropriate committee to survey all phases of this matter. Tour organisation- already has.before it a... phase of the matter, I trust that appropriate i~ •<-* integration of these efforts can be arranged. "t j-. <. 7 C < v % A month later, on...Bacteriological Warfare Service, C7S. In CD 222(2^ ...correlate and accumulate information and data on biological phases of chemical warfare

  7. Multidimensional Chemical Modeling of Young Stellar Objects. II. Irradiated Outflow Walls in a High-Mass Star-Forming Region

    NASA Astrophysics Data System (ADS)

    Bruderer, S.; Benz, A. O.; Doty, S. D.; van Dishoeck, E. F.; Bourke, T. L.

    2009-07-01

    Observations of the high-mass star-forming region AFGL 2591 reveal a large abundance of CO+, a molecule known to be enhanced by far-ultraviolet (FUV) and X-ray irradiation. In chemical models assuming a spherically symmetric envelope, the volume of gas irradiated by protostellar FUV radiation is very small due to the high extinction by dust. The abundance of CO+ is thus underpredicted by orders of magnitude. In a more realistic model, FUV photons can escape through an outflow region and irradiate gas at the border to the envelope. Thus, we introduce the first two-dimensional axisymmetric chemical model of the envelope of a high-mass star-forming region to explain the CO+ observations as a prototypical FUV tracer. The model assumes an axisymmetric power-law density structure with a cavity due to the outflow. The local FUV flux is calculated by a Monte Carlo radiative transfer code taking scattering on dust into account. A grid of precalculated chemical abundances, introduced in the first part of this series of papers, is used to quickly interpolate chemical abundances. This approach allows us to calculate the temperature structure of the FUV-heated outflow walls self-consistently with the chemistry. Synthetic maps of the line flux are calculated using a raytracer code. Single-dish and interferometric observations are simulated and the model results are compared to published and new JCMT and Submillimeter Array (SMA) observations. The two-dimensional model of AFGL 2591 is able to reproduce the JCMT single-dish observations and also explains the nondetection by the SMA. We conclude that the observed CO+ line flux and its narrow width can be interpreted by emission from the warm and dense outflow walls irradiated by protostellar FUV radiation.

  8. Chemical characterization of individual particles and residuals of cloud droplets and ice crystals collected on board research aircraft in the ISDAC 2008 study

    NASA Astrophysics Data System (ADS)

    Hiranuma, N.; Brooks, S. D.; Moffet, R. C.; Glen, A.; Laskin, A.; Gilles, M. K.; Liu, P.; MacDonald, A. M.; Strapp, J. W.; McFarquhar, G. M.

    2013-06-01

    Ambient particles and the dry residuals of mixed-phase cloud droplets and ice crystals were collected during the Indirect and Semi-Direct Aerosol Campaign (ISDAC) near Barrow, Alaska, in spring of 2008. The collected particles were analyzed using Computer Controlled Scanning Electron Microscopy with Energy Dispersive X-ray analysis and Scanning Transmission X-ray Microscopy coupled with Near Edge X-ray Absorption Fine Structure spectroscopy to identify physico-chemical properties that differentiate cloud-nucleating particles from the total aerosol population. A wide range of individually mixed components was identified in the ambient particles and residuals including organic carbon compounds, inorganics, carbonates, and black carbon. Our results show that cloud droplet residuals differ from the ambient particles in both size and composition, suggesting that both properties may impact the cloud-nucleating ability of aerosols in mixed-phase clouds. The percentage of residual particles which contained carbonates (47%) was almost four times higher than those in ambient samples. Residual populations were also enhanced in sea salt and black carbon and reduced in organic compounds relative to the ambient particles. Further, our measurements suggest that chemical processing of aerosols may improve their cloud-nucleating ability. Comparison of results for various time periods within ISDAC suggests that the number and composition of cloud-nucleating particles over Alaska can be influenced by episodic events bringing aerosols from both the local vicinity and as far away as Siberia.

  9. Chemical analyses of soil samples collected from the Sandia National Laboratories/NM, Tonopah Test Range environs, 1994-2005.

    SciTech Connect

    Deola, Regina Anne; Oldewage, Hans D.; Herrera, Heidi M.; Miller, Mark Laverne

    2006-05-01

    From 1994 through 2005, the Environmental Management Department of Sandia National Laboratories (SNL) at the Tonopah Test Range (TTR), NV, has collected soil samples at numerous locations on-site, on the perimeter, and off-site for the purpose of determining potential impacts to the environs from operations at TTR. These samples were submitted to an analytical laboratory of metal-in-soil analyses. Intercomparisons of these results were then made to determine if there was any statistical difference between on-site, perimeter, and off-site samples, or if there were increasing or decreasing trends which indicated that further investigation may be warranted. This work provided the SNL Environmental Management Department with a sound baseline data reference against which to compare future operational impacts. In addition, it demonstrates the commitment that the Laboratories have to go beyond mere compliance to achieve excellence in its operations. This data is presented in graphical format with narrative commentaries on particular items of interest.

  10. Chemicals of emerging concern in water and bottom sediment in Great Lakes areas of concern, 2010 to 2011-Collection methods, analyses methods, quality assurance, and data

    USGS Publications Warehouse

    Lee, Kathy E.; Langer, Susan K.; Menheer, Michael A.; Foreman, William T.; Furlong, Edward T.; Smith, Steven G.

    2012-01-01

    The U.S. Geological Survey (USGS) cooperated with the U.S. Environmental Protection Agency and the U.S. Fish and Wildlife Service on a study to identify the occurrence of chemicals of emerging concern (CECs) in water and bottom-sediment samples collected during 2010–11 at sites in seven areas of concern (AOCs) throughout the Great Lakes. Study sites include tributaries to the Great Lakes in AOCs located near Duluth, Minn.; Green Bay, Wis.; Roches­ter, N.Y.; Detroit, Mich.; Toledo, Ohio; Milwaukee, Wis.; and Ashtabula, Ohio. This report documents the collection meth­ods, analyses methods, quality-assurance data and analyses, and provides the data for this study. Water and bottom-sediment samples were analyzed at the USGS National Water Quality Laboratory in Denver, Colo., for a broad suite of CECs. During this study, 135 environmental and 23 field dupli­cate samples of surface water and wastewater effluent, 10 field blank water samples, and 11 field spike water samples were collected and analyzed. Sixty-one of the 69 wastewater indicator chemicals (laboratory method 4433) analyzed were detected at concentrations ranging from 0.002 to 11.2 micrograms per liter. Twenty-eight of the 48 pharmaceuticals (research method 8244) analyzed were detected at concentrations ranging from 0.0029 to 22.0 micro­grams per liter. Ten of the 20 steroid hormones and sterols analyzed (research method 4434) were detected at concentrations ranging from 0.16 to 10,000 nanograms per liter. During this study, 75 environmental, 13 field duplicate samples, and 9 field spike samples of bottom sediment were collected and analyzed for a wide variety of CECs. Forty-seven of the 57 wastewater indicator chemicals (laboratory method 5433) analyzed were detected at concentrations ranging from 0.921 to 25,800 nanograms per gram. Seventeen of the 20 steroid hormones and sterols (research method 6434) analyzed were detected at concentrations ranging from 0.006 to 8,921 nanograms per gram. Twelve of

  11. Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules

    NASA Astrophysics Data System (ADS)

    Ishikawa, Atsushi; Nakai, Hiromi

    2015-03-01

    The harmonic solvation model (HSM), which was recently developed for evaluating condensed-phase thermodynamics by quantum chemical calculations (Nakai and Ishikawa, 2014), was applied to formation and combustion reactions of simple organic molecules. The conventional ideal gas model (IGM) considerably overestimated the entropies of the liquid molecules. The HSM could significantly improve this overestimation; mean absolute deviations for the Gibbs energies of the formation and combustion reactions were (49.6, 26.7) for the IGM and (9.7, 5.4) for the HSM in kJ/mol.

  12. Chemical and biological properties of diesel exhaust particles collected during selected segments of a simulated driving cycle.

    PubMed

    Bechtold, W E; Dutcher, J S; Mokler, B V; Lopez, J A; Wolf, I; Li, A P; Henderson, T R; McClellan, R O

    1984-06-01

    Particle emissions, percentage of organic extractable materials, and mutagenicities of extracts from a diesel engine operating on a test stand have been determined for the full Federal Test Procedure driving cycle and several individual segments thereof. Particle samples were collected using a computer controlled high volume sampler. Extracts of the exhaust particles were screened for the potent mutagens nitropyrene/nitrofluoranthenes by mass spectrometry/mass spectrometry (MS/MS). Results indicate that a long acceleration from 0-55 mph produced approximately seven times more particles per second than the full cycle. Also, the 0- to 55-mph acceleration and a subsequent 55-mph cruise produced significantly higher amounts of mutagens than other segments or the full FTP cycle. A direct correlation of both NOx levels and temperature with mutagenicity was noted (r = 0.89 and r = 0.89). The specific activities of the extracts showed decreases or remained unchanged when assayed in TA-98 NR or TA-98 1,8 DNP6, nitroreductase deficient strains of TA-98. Three extracts were found to have high levels of nitropyrenes/nitrofluoranthenes, and two of the three had high specific activities in TA-98.

  13. Chemical analyses of soil samples collected from the Sandia National Laboratories, New Mexico environs, 1993-2005.

    SciTech Connect

    Deola, Regina Anne; Oldewage, Hans D.; Herrera, Heidi; Miller, Mark Laverne

    2006-03-01

    From 1993 through 2005, the Environmental Management Department of Sandia National Laboratories in Albuquerque, New Mexico (SNL/NM), has collected soil and sediment samples at numerous locations on-site, on the perimeter, and off-site for the purpose of determining potential impacts to the environs from operations at the Laboratories. These samples were submitted to an analytical laboratory for metal-in-soil analyses. Intercomparisons of these results were then made to determine if there was any statistical difference between on-site, perimeter, and off-site samples, or if there were year-to-year increasing or decreasing trends which indicated that further investigation may be warranted. This work provided the SNL Environmental Management Department with a sound baseline data reference against which to assess potential current operational impacts or to compare future operational impacts. In addition, it demonstrates the commitment that the Laboratories have to go beyond mere compliance to achieve excellence in its operations. This data is presented in graphical format with narrative commentaries on particular items of interest.

  14. Chemical composition of matrix-embedded ternary II-VI nanocrystals derived from first- and second-order Raman spectra

    NASA Astrophysics Data System (ADS)

    Azhniuk, Yu. M.; Hutych, Yu. I.; Lopushansky, V. V.; Prymak, M. V.; Gomonnai, A. V.; Zahn, D. R. T.

    2016-12-01

    A one- and multiphonon Raman scattering study is performed for an extensive set of CdS1-xSex, Cd1-yZnyS, Cd1-yZnySe, and CdSe1-xTex nanocrystals to investigate the applicability of first- and second-order Raman spectra for the determination of the matrix-embedded ternary nanocrystal composition. For one-mode ternary systems both the LO and 2LO phonon frequencies in the Raman spectra are shown to be a good measure of the nanocrystal composition. For two-mode systems, the approaches based on the difference of the LO phonon frequencies (first-order Raman spectra) or double LO overtone and combination tone frequencies (second-order Raman spectra) as well as on the LO phonon band intensity ratios are analysed. The weak electron-phonon coupling in the II-VI nanocrystals and the polaron constant values for the nanocrystal sublattices are discussed.

  15. Induced mutagenesis of plasmid and chromosomal genes inserted into the plasmid DNA. II. Mutagenic action of chemical factors

    SciTech Connect

    Esipova, V.V.; Vedunova, S.L.; Kriviskii, A.S.

    1986-02-01

    Following the study of the mutagenic action of UV and ..gamma..-radiation on plasmid DNA in vitro, they investigated the induction of mutations under the influence of chemical mutagens on the same DNA of plasmid RSF2124, determining the synthesis of colicine E1 and resistance to ampicillin. The inactivating action of the mutagen was assessed from the yield of transformants resistant to the antibiotic and the mutagenic effect from the loss by colonies of transformants that were capable of releasing colicine into the external medium. In these experiments they mainly used chemical compounds whose mutagenic effect if well known in other systems (transforming and transfecting DNA, microbial viruses). As a result all mutagens tested for their activity were divided into four groups: first group, those exceeding the level of mutagenesis by more than 100-fold above the spontaneous background (hydroxylamine, O-methylhydroxylamine); second group, those exceeding it by a factor of 10 (UV radiation (lambda = 254 nm), W-mutagenesis, ionizing radiation, nitrous acid, mitomycin C); third group, those exceeding it by a factor of <10 (indirect UV mutagenesis, nitrous acid, ..beta..-chloroethyldiethylamine hydrochloride, nitrosoguanidine); fourth group, no mutagenic effect (acridine orange, ethyl methane sulfonate, sodium azide, 0-..beta..-diethylaminoethylhydroxylamine).

  16. Quantum-Chemical Study of the Discrimination against dNTP in the Nucleotide Addition Reaction in the Active Site of RNA Polymerase II.

    PubMed

    Roßbach, Sven; Ochsenfeld, Christian

    2017-04-11

    Eukaryotic RNA polymerase II catalyzes the transcription of DNA into mRNA very efficiently and with an extremely low error rate with regard to matching base and sugar moiety. Despite its importance, little is known about how it discriminates against 2'-deoxy NTPs during the chemical reaction. To investigate the differences in the addition reactions of ATP and dATP, we used FF-MD and QM/MM calculations within a nudged elastic band approach, which allowed us to find the energetically accessible reaction coordinates. By converging the QM size, we found that 800 QM atoms are necessary to properly describe the active site. We show how the absence of a single hydrogen bond between the enzyme and the NTP 2'-OH group leads to an increase of the reaction barrier by 16 kcal/mol and therefore conclude that Arg446 is the key residue in the discrimination process.

  17. Oxocentered Cu(II) lead selenite honeycomb lattices hosting Cu(I)Cl2 groups obtained by chemical vapor transport reactions.

    PubMed

    Kovrugin, Vadim M; Colmont, Marie; Siidra, Oleg I; Mentré, Olivier; Al-Shuray, Alexander; Gurzhiy, Vladislav V; Krivovichev, Sergey V

    2015-06-11

    Chemical vapor transport (CVT) reactions were used to prepare three modular mixed-valent Cu(I)-Cu(II) compounds, (Pb2Cu(2+)9O4)(SeO3)4(Cu(+)Cl(2))Cl5 (1), (PbCu(2+)5O2)(SeO3)2(Cu(+)Cl2)Cl3 (2), and (Pb(x)Cu(2+)(6-x)O2)(SeO3)2(Cu(+)Cl2)K(1-x)Cl(4-x) (x = 0.20) (3). In their crystal structures chains of anion-centered (OCu(2+)4) and (OCu(2+)3Pb) tetrahedra form honeycomb-like double layers with cavities occupied by linear [Cu(+)Cl2](-) groups.

  18. Physical and chemical variations within the W3 star-forming region. II. The 345 GHz spectral line survey.

    NASA Astrophysics Data System (ADS)

    Helmich, F. P.; van Dishoeck, E. F.

    1997-08-01

    Results are presented of the 345 GHz spectral survey toward three sources in the W3 Giant Molecular Cloud: W3 IRS4, W3 IRS5 and W3(H_2O). Nearly 90% of the atmospheric window between 334 and 365 GHz has been scanned using the James Clerk Maxwell Telescope down to a noise level of ~80 mK per resolution element. These observations are complemented by a large amount of data in the 230 GHz atmospheric window. From this data set physical conditions and beam-averaged column densities are derived for more than 14 chemically different species (over 24 different isotopes). The physical parameters derived in Paper I (\\cite[Helmich et al. 1994]{ref36}) are confirmed by the analysis of the excitation of other species, although there is evidence that the silicon- and sulfur-bearing molecules exist in a somewhat denser and warmer environment. The densities are high, >= 10^6 cm^{-3}, in the three sources and the kinetic temperatures for the bulk of the gas range from 55 K for IRS4 to 220 K for W3(H_2O). The chemical differences between the three sources are very striking: silicon- and sulfur-bearing molecules such as SiO and SO_2 are prominent toward IRS5, whereas organic molecules like CH_3OH, CH_3OCH_3 and CH_3OCHO are at least an order of magnitude more abundant toward W3(H_2O). Vibrationally excited molecules are also detected toward this source. Only simple molecules are found toward IRS4. The data provide constraints on the amount of deuterium fractionation and the ionization fraction in the observed regions as well. These chemical characteristics are discussed in the context of an evolutionary sequence, in which IRS5 is the youngest, W3(H_2O) somewhat older and IRS4, although still enigmatic, the oldest. The James Clerk Maxwell Telescope is operated by the The Joint Astronomy Centre on behalf of the Particle Physics and Astronomy Research Council of the United Kingdom, the Netherlands Organisation for Scientific Research, and the National Research Council of Canada

  19. Modification of wheat starch with succinic acid/acetanhydride and azelaic acid/acetanhydride mixtures. II. Chemical and physical properties.

    PubMed

    Ačkar, Durđica; Subarić, Drago; Babić, Jurislav; Miličević, Borislav; Jozinović, Antun

    2014-08-01

    The aim of this research was to investigate the influence of modification with succinic acid/acetanhydride and azelaic acid/acetanhydride mixtures on chemical and physical properties of wheat starch. Starch was isolated from two wheat varieties and modified with mixtures of succinic acid and acetanhydride and azelaic acid and acetanhydride in 4, 6 and 8% (w/w). Total starch content, resistant starch content, degree of modification, changes in FT-IR spectra, colour, gel texture and freeze-thaw stability were determined. Results showed that resistant starch content increased by both investigated modifications, and degree of modification increased proportionally to amount of reagents used. FT-IR analysis of modified starches showed peak around 1,740 cm(-1), characteristic for carbonyl group of ester. Total colour difference caused by modifications was detectable by trained people. Adhesiveness significantly increased, while freeze-thaw stability decreased by both investigated modifications.

  20. Field-collected permethrin-resistant Aedes aegypti from central Thailand contain point mutations in the domain IIS6 of the sodium channel gene (KDR).

    PubMed

    Srisawat, Raweewan; Komalamisra, Narumon; Apiwathnasorn, Chamnarn; Paeporn, Pungasem; Roytrakul, Sittiruk; Rongsriyam, Yupha; Eshita, Yuki

    2012-11-01

    One of the mechanisms responsible for pyrethroid resistance in mosquitoes is mutations in domain IIS6 of voltage-gated sodium channel gene (kdr). Aedes aegypti larvae were collected from the central provinces of Thailand (Bangkok, Prachin Buri and Ratchaburi) and colonized until they became adults. Partial fragment of kdr of permethrin-resistant mosquitoes were amplified by RT-PCR and sequenced. Among the four nucleotide mutations detected, two mutations resulted in two amino acid substitutions, S(TCC) 989 P(CCC) and V(GTA)1016 G(GGA). Among 94 permethrin-resistant mosquitoes, the SS genotype (SS/VV) was found to predominate (n = 74), followed by SR (SP/VG) (n = 15) and RR (PP/ GG) genotypes (n = 5), with the resistant allele frequency ranging from 0.03 to 0.17. As pyrethroid insecticides are currently being advocated for use in Thailand, investigations of pyrethroid resistance in other regions of the country are needed to prevent potential cross-resistance among different types of insecticides.

  1. Quantum chemical analysis explains hemagglutinin peptide-MHC Class II molecule HLA-DRbeta1*0101 interactions.

    PubMed

    Cárdenas, Constanza; Villaveces, José Luis; Bohórquez, Hugo; Llanos, Eugenio; Suárez, Carlos; Obregón, Mateo; Patarroyo, Manuel Elkin

    2004-10-29

    We present a new method to explore interactions between peptides and major histocompatibility complex (MHC) molecules using the resultant vector of the three principal multipole terms of the electrostatic field expansion. Being that molecular interactions are driven by electrostatic interactions, we applied quantum chemistry methods to better understand variations in the electrostatic field of the MHC Class II HLA-DRbeta1*0101-HA complex. Multipole terms were studied, finding strong alterations of the field in Pocket 1 of this MHC molecule, and weak variations in other pockets, with Pocket 1>Pocket 4>Pocket 9 approximately Pocket 7>Pocket 6. Variations produced by "ideal" amino acids and by other occupying amino acids were compared. Two types of interactions were found in all pockets: a strong unspecific one (global interaction) and a weak specific interaction (differential interaction). Interactions in Pocket 1, the dominant pocket for this allele, are driven mainly by the quadrupole term, confirming the idea that aromatic rings are important in these interactions. Multipolar analysis is in agreement with experimental results, suggesting quantum chemistry methods as an adequate methodology to understand these interactions.

  2. A forgotten collection: the Libyan ethnobotanical exhibits (1912-14) by A. Trotter at the Museum O. Comes at the University Federico II in Naples, Italy

    PubMed Central

    2012-01-01

    Background The Ethnobotanical Collection from the Libyan territories of the botanist Alessandro Trotter is included in the Oratio Comes Botanical Museum at the Faculty of Agraria at the University Federico II in Naples. Trotter explored different territories of Libya, mainly Tripolitania, between 1912-1924, collecting plant specimens and the drugs most frequently sold in the markets. The Libyan herbarium currently includes over 2300 sheets of mounted and accessioned plants. The drugs, mostly acquired by Trotter from Tripolitanian markets, were identified and packed in 87 paper sheets or boxes. Trotter added ethnobotanical information for each species when available. Methods A database of the herbarium species and the drugs has been carried out, after a taxonomic update. Nomenclature has been revised according to the African flowering plants database and the World Checklist of selected plant families, and a comparison with currently available ethnopharmacological data from North African has been attempted. Results In this study, ethnopharmacological data related to about 80 species of flowering plants and to 4 lichens are presented. The plants are mainly from Mediterranean or Sub-Saharan habitats and belong to 37 different families; Lamiaceae was the most cited family, with 10 accessions. Generally, the aerial parts of the plants are the most frequently used (28 species), followed by leaves (15 species), flowers and seeds (9 species), fruits (7 species) and hypogean organs (roots, rhizomes, tubers: 5 species). Plants were generally processed in very simple ways: infusion or decoction of the plants were prepared and orally administered or used for topical applications. A wide range of conditions was treated, ranging from mental disorders to skin affections. All the organs of human body are considered, but the pathologies of gastro-intestinal tract, respiratory system and those related to traumatic accidents were the most frequently mentioned. The comparison with the

  3. Single particle chemical composition, state of mixing and shape of fresh and aged Saharan dust in Morocco and at Cape Verde Islands during SAMUM I and II

    NASA Astrophysics Data System (ADS)

    Kandler, Konrad; Emmel, Carmen; Ebert, Martin; Lieke, Kirsten; Müller-Ebert, Dörthe; Schütz, Lothar; Weinbruch, Stephan

    2010-05-01

    The Saharan Mineral Dust Experiment (SAMUM) is focussed to the understanding of the radiative effects of mineral dust. During the SAMUM 2006 field campaign at Tinfou, southern Morocco, chemical and mineralogical properties of fresh desert aerosol was measured. The winter campaign of Saharan Mineral Dust Experiment II in 2008 was based in Praia, Island of Santiago, Cape Verde. This second field campaign was dedicated to the investigation of transported Saharan Mineral Dust. Ground-based and airborne measurements were performed in the winter season, where mineral dust from the Western Sahara and biomass burning aerosol from the Sahel region occurred. Samples were collected with a miniature impactor system, a sedimentation trap, a free-wing impactor, and a filter sampler. Beryllium discs as well as carbon coated nickel discs, carbon foils, and nuclepore and fiber filters were used as sampling substrates. The size-resolved particle aspect ratio and the chemical composition are determined by scanning electron microscopy and energy-dispersive X-ray microanalysis of single particles. Mineralogical bulk composition is determined by X-ray diffraction analysis. In Morocco, three size regimes are identified in the aerosol: Smaller than 500 nm in diameter, the aerosol consists of sulfates and mineral dust. Larger than 500 nm up to 50 µm, mineral dust dominates, consisting mainly of silicates, and - to a lesser extent - carbonates and quartz. Larger than 50 µm, approximately half of the particles consist of quartz. Time series of the elemental composition show a moderate temporal variability of the major compounds. Calcium-dominated particles are enhanced during advection from a prominent dust source in Northern Africa (Chott El Djerid and surroundings). More detailed results are found in Kandler et al. (2009) At Praia, Cape Verde, the boundary layer aerosol consists of a superposition of mineral dust, marine aerosol and ammonium sulfate, soot, and other sulfates as well as

  4. Microwave Plasma-Activated Chemical Vapor Deposition of Nitrogen-Doped Diamond. II: CH4/N2/H2 Plasmas

    PubMed Central

    2016-01-01

    We report a combined experimental and modeling study of microwave-activated dilute CH4/N2/H2 plasmas, as used for chemical vapor deposition (CVD) of diamond, under very similar conditions to previous studies of CH4/H2, CH4/H2/Ar, and N2/H2 gas mixtures. Using cavity ring-down spectroscopy, absolute column densities of CH(X, v = 0), CN(X, v = 0), and NH(X, v = 0) radicals in the hot plasma have been determined as functions of height, z, source gas mixing ratio, total gas pressure, p, and input power, P. Optical emission spectroscopy has been used to investigate, with respect to the same variables, the relative number densities of electronically excited species, namely, H atoms, CH, C2, CN, and NH radicals and triplet N2 molecules. The measurements have been reproduced and rationalized from first-principles by 2-D (r, z) coupled kinetic and transport modeling, and comparison between experiment and simulation has afforded a detailed understanding of C/N/H plasma-chemical reactivity and variations with process conditions and with location within the reactor. The experimentally validated simulations have been extended to much lower N2 input fractions and higher microwave powers than were probed experimentally, providing predictions for the gas-phase chemistry adjacent to the diamond surface and its variation across a wide range of conditions employed in practical diamond-growing CVD processes. The strongly bound N2 molecule is very resistant to dissociation at the input MW powers and pressures prevailing in typical diamond CVD reactors, but its chemical reactivity is boosted through energy pooling in its lowest-lying (metastable) triplet state and subsequent reactions with H atoms. For a CH4 input mole fraction of 4%, with N2 present at 1–6000 ppm, at pressure p = 150 Torr, and with applied microwave power P = 1.5 kW, the near-substrate gas-phase N atom concentration, [N]ns, scales linearly with the N2 input mole fraction and exceeds the concentrations [NH]ns, [NH2]ns

  5. On ammonia binding to the oxygen-evolving complex of photosystem II: a quantum chemical study.

    PubMed

    Schraut, Johannes; Kaupp, Martin

    2014-06-10

    A recent EPR study (M. Perrez Navarro et al., Proc. Natl. Acad. Sci. 2013, 110, 15561) provided evidence that ammonia binding to the oxygen-evolving complex (OEC) of photosystem II in its S2 state takes place at a terminal-water binding position (W1) on the "dangler" manganese center MnA. This contradicted earlier interpretations of (14)N electron-spin-echo envelope modulation (ESEEM) and extended X-ray absorption fine-structure (EXAFS) data, which were taken to indicate replacement of a bridging oxo ligand by an NH2 unit. Here we have used systematic broken-symmetry density functional theory calculations on large (ca. 200 atom) model clusters of an extensive variety of substitution patterns and core geometries to examine these contradictory pieces of evidence. Computed relative energies clearly favor the terminal substitution pattern over bridging-ligand arrangements (by about 20-30 kcal mol(-1)) and support W1 as the preferred binding site. Computed (14)N EPR nuclear-quadrupole coupling tensors confirm previous assumptions that the appreciable asymmetry may be accounted for by strong, asymmetric hydrogen bonding to the bound terminal NH3 ligand (mainly by Asp61). Indeed, bridging NH2 substitution would lead to exaggerated asymmetries. Although our computed structures confirm that the reported elongation of an Mn-Mn distance by about 0.15 Å inferred from EXAFS experiments may only be reproduced by bridging NH2 substitution, it seems possible that the underlying EXAFS data were skewed by problems due to radiation damage. Overall, the present data clearly support the suggested terminal NH3 coordination at the W1 site. The finding is significant for the proposed mechanistic scenarios of OEC catalysis, as this is not a water substrate site, and effects of this ammonia binding on catalysis thus must be due to more indirect influences on the likely substrate binding site at the O5 bridging-oxygen position.

  6. Size-resolved Chemical Composition of Cloud and Rain Water Collected during the Puerto Rico African Dust and Clouds Study (PRADACS) Campaign

    NASA Astrophysics Data System (ADS)

    Torres, E.; Valle Diaz, C. J.; Zurcher, F.; Lee, T.; Collett, J. L.; Fitzgerald, E.; Cuadra, L.; Prather, K. A.; Mayol-Bracero, O. L.

    2011-12-01

    The underlying physico-chemical processes of dust-aerosol interactions are poorly understood; even less understood is how aging impacts cloud properties and climate as the particles travel from Africa to the Caribbean region. Caribbean landmasses have tropical montane cloud forests (TMCFs) that are tightly coupled to the atmospheric hydrologic cycle. Small-scale shifts in temperature and precipitation could have serious ecological consequences. Therefore, this makes TMCFs an interesting ecosystem to see the effects African Dust (AD) might have on cloud formation and precipitation. As part of the Puerto Rico African Dust and Clouds Study (PRADACS) cloud and rain water samples for subsequent chemical analysis were collected at Pico del Este (PE) station in Luquillo, PR (1051 masl) during summer 2011. At PE, two cloud collectors (i.e., single stage (Aluminum version) and 2-stage (Teflon version) Caltech Active Strand Cloudwater Collector (CASCC)), and a rainwater collector were operated. Measurements such as the liquid water content (LWC), pH, conductivity., and composition of single particles using an aerosol time of flight mass spectrometer (ATOFMS) were performed. Preliminary results showed that days with the influence of African dust (AD), had LWC values that ranged from 300 to 500 mg/m3, pH values up to 5.7,, and conductivity up to 180 μS/cm. The ATOFMS showed titanium and iron ions, suggesting the presence of AD as well as, occasionally, sulfate and nitrate ions suggesting the influence of anthropogenic pollution. Results on the chemical composition and the physical properties of cloud, rainwater, and aerosol for the inorganic as well as the organic fraction and how these properties change for the different air masses observed will also be presented.

  7. The Chemical Abundances of Stars in the Halo (CASH) Project. II. New Extremely Metal-poor Stars

    NASA Astrophysics Data System (ADS)

    Krugler, Julie A.; Frebel, A.; Roederer, I. U.; Sneden, C.; Shetrone, M.; Beers, T.; Christlieb, N.

    2011-01-01

    We present new abundance results from the Chemical Abundances of Stars in the Halo (CASH) project. The 500 CASH spectra were observed using the Hobby-Eberly Telescope in "snapshot" mode and are analyzed using an automated stellar parameter and abundance pipeline called CASHCODE. For the 20 most metal-poor stars of the CASH sample we have obtained high resolution spectra using the Magellan Telescope in order to test the uncertainties and systematic errors associated with the snapshot quality (i.e., R 15,000 and S/N 65) HET spectra and to calibrate the newly developed CASHCODE by making a detailed comparison between the stellar parameters and abundances determined from the high resolution and snapshot spectra. We find that the CASHCODE stellar parameters (effective temperature, surface gravity, metallicity, and microturbulence) agree well with the results of the manual analysis of the high resolution spectra. We present the abundances of three newly discovered stars with [Fe/H] < -3.5. For the entire pilot sample, we find typical halo abundance ratios with alpha-enhancement and Fe-peak depletion and a range of n-capture elements. The full CASH sample will be used to derive statistically robust abundance trends and frequencies (e.g. carbon and n-capture), as well as placing constraints on nucleosynthetic processes that occurred in the early universe.

  8. Optimizing the physical-chemical properties of carbon nanotubes (CNT) and graphene nanoplatelets (GNP) on Cu(II) adsorption.

    PubMed

    Rosenzweig, Shirley; Sorial, George A; Sahle-Demessie, Endalkachew; McAvoy, Drew C

    2014-08-30

    Systematic experiments of copper adsorption on 10 different commercially available nanomaterials were studied for the influence of physical-chemical properties and their interactions. Design of experiment and response surface methodology was used to develop a polynomial model to predict maximum copper adsorption (initial concentration, Co=10mg/L) per mass of nanomaterial, qe, using multivariable regression and maximum R-square criterion. The best subsets of properties to predict qe in order of significant contribution to the model were: bulk density, ID, mesopore volume, tube length, pore size, zeta-charge, specific surface area and OD. The highest experimental qe observed was for an alcohol-functionalized MWCNT (16.7mg/g) with relative high bulk density (0.48g/cm(3)), ID (2-5nm), 10-30μm long and OD<8nm. Graphene nanoplatelets (GNP) showed poor adsorptive capacity associated to stacked-nanoplatelets, but good colloidal stability due to high functionalized surface. Good adsorption results for pristine SWCNT indicated that tubes with small diameter were more associated with good adsorption than functionalized surface. XPS and ICP analysis explored surface chemistry and purity, but pHpzc and zeta-charge were ultimately applied to indicate the degree of functionalization. Optimum CNT were identified in the scatter plot, but actual manufacturing processes introduced size and shape variations which interfered with final property results.

  9. DNA interstrand cross-links of an antitumor trinuclear platinum(II) complex: thermodynamic analysis and chemical probing.

    PubMed

    Malina, Jaroslav; Farrell, Nicholas P; Brabec, Viktor

    2011-06-06

    The trinuclear platinum compound [{trans-PtCl(NH(3))(2)}(2)(μ-trans-Pt(NH(3))(2){NH(2)(CH(2))(6)NH(2)}(2))](4+) (BBR3464) belongs to the polynuclear class of platinum-based anticancer agents. These agents form in DNA long-range (Pt,Pt) interstrand cross-links, whose role in the antitumor effects of BBR3464 predominates. Our results show for the first time that the interstrand cross-links formed by BBR3464 between two guanine bases in opposite strands separated by two base pairs (1,4-interstrand cross-links) exist as two distinct conformers, which are not interconvertible, not only if these cross-links are formed in the 5'-5', but also in the less-usual 3'-3' direction. Analysis of the conformers by differential scanning calorimetry, chemical probes of DNA conformation, and minor groove binder Hoechst 33258 demonstrate that each of the four conformers affects DNA in a distinctly different way and adopts a different conformation. The results also support the thesis that the molecule of antitumor BBR3464 when forming DNA interstrand cross-links may adopt different global structures, including different configurations of the linker chain of BBR3464 in the minor groove of DNA. Our findings suggest that the multiple DNA interstrand cross-links available to BBR3464 may all contribute substantially to its cytotoxicity.

  10. The Most Metal-poor Stars. II. Chemical Abundances of 190 Metal-poor Stars Including 10 New Stars with [Fe/H] <= -3.5

    NASA Astrophysics Data System (ADS)

    Yong, David; Norris, John E.; Bessell, M. S.; Christlieb, N.; Asplund, M.; Beers, Timothy C.; Barklem, P. S.; Frebel, Anna; Ryan, S. G.

    2013-01-01

    We present a homogeneous chemical abundance analysis of 16 elements in 190 metal-poor Galactic halo stars (38 program and 152 literature objects). The sample includes 171 stars with [Fe/H] <= -2.5, of which 86 are extremely metal poor, [Fe/H] <= -3.0. Our program stars include 10 new objects with [Fe/H] <= -3.5. We identify a sample of "normal" metal-poor stars and measure the trends between [X/Fe] and [Fe/H], as well as the dispersion about the mean trend for this sample. Using this mean trend, we identify objects that are chemically peculiar relative to "normal" stars at the same metallicity. These chemically unusual stars include CEMP-no objects, one star with high [Si/Fe], another with high [Ba/Sr], and one with unusually low [X/Fe] for all elements heavier than Na. The Sr and Ba abundances indicate that there may be two nucleosynthetic processes at lowest metallicity that are distinct from the main r-process. Finally, for many elements, we find a significant trend between [X/Fe] versus T eff, which likely reflects non-LTE and/or three-dimensional effects. Such trends demonstrate that care must be exercised when using abundance measurements in metal-poor stars to constrain chemical evolution and/or nucleosynthesis predictions. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere, Chile (proposal 281.D-5015).

  11. Water and Sediment Chemical Data and Data Summary for Samples Collected in 1999 and 2001 in the Goodpaster River Basin, Big Delta B-2 Quadrangle, Alaska

    USGS Publications Warehouse

    Wang, Bronwen; Gough, Larry; Wanty, Richard; Vohden, Jim; Crock, Jim; Day, Warren

    2006-01-01

    We report the chemical analysis for water and sediment collected from the Big Delta B-2 quadrangle. These data are part of a study located in the Big Delta B-2 quadrangle that focused on the integration of geology and bedrock geochemistry on with the biogeochemistry of water, sediments, soil, and vegetation. The discovery of the Pogo lode gold deposit in the northwest corner of the quadrangle was the impetus for this study. The study objectives were to create a geologic map, evaluate the bedrock geochemical influence on the geochemical signature of the surficial environment, and define landscape-level predevelopment geochemical baselines. Important to baseline development is an evaluation of what, if any, geochemical difference exists between the mineralized and non-mineralized areas within a watershed or between mineralized and non-mineralized watersheds. The analytic results for the bedrock, soils, and vegetation are reported elsewhere. Presented here, with minimal interpretation, is the analytic data for the water and sediment samples collected in the summers of 1999 and 2001, and a summary statistics of these analyses.

  12. The Chemical Abundances of Stars in the Halo (CASH) Project. II. A Sample of 14 Extremely Metal-poor Stars

    NASA Astrophysics Data System (ADS)

    Hollek, Julie K.; Frebel, Anna; Roederer, Ian U.; Sneden, Christopher; Shetrone, Matthew; Beers, Timothy C.; Kang, Sung-ju; Thom, Christopher

    2011-11-01

    We present a comprehensive abundance analysis of 20 elements for 16 new low-metallicity stars from the Chemical Abundances of Stars in the Halo (CASH) project. The abundances have been derived from both Hobby-Eberly Telescope High Resolution Spectrograph snapshot spectra (R ~15, 000) and corresponding high-resolution (R ~35, 000) Magellan Inamori Kyocera Echelle spectra. The stars span a metallicity range from [Fe/H] from -2.9 to -3.9, including four new stars with [Fe/H] < -3.7. We find four stars to be carbon-enhanced metal-poor (CEMP) stars, confirming the trend of increasing [C/Fe] abundance ratios with decreasing metallicity. Two of these objects can be classified as CEMP-no stars, adding to the growing number of these objects at [Fe/H]< - 3. We also find four neutron-capture-enhanced stars in the sample, one of which has [Eu/Fe] of 0.8 with clear r-process signatures. These pilot sample stars are the most metal-poor ([Fe/H] <~ -3.0) of the brightest stars included in CASH and are used to calibrate a newly developed, automated stellar parameter and abundance determination pipeline. This code will be used for the entire ~500 star CASH snapshot sample. We find that the pipeline results are statistically identical for snapshot spectra when compared to a traditional, manual analysis from a high-resolution spectrum. Based on observations obtained with the Hobby-Eberly Telescope, which is a joint project of the University of Texas at Austin, the Pennsylvania State University, Stanford University, Ludwig-Maximilians-Universität München, and Georg-August-Universität Göttingen. Based on observations gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  13. Chemical constituents and free radical scavenging activity of corn pollen collected from Apis mellifera hives compared to floral corn pollen at Nan, Thailand

    PubMed Central

    2012-01-01

    Background Bee pollen is composed of floral pollen mixed with nectar and bee secretion that is collected by foraging honey (Apis sp.) and stingless bees. It is rich in nutrients, such as sugars, proteins, lipids, vitamins and flavonoids, and has been ascribed antiproliferative, anti-allergenic, anti-angiogenic and free radical scavenging activities. This research aimed at a preliminary investigation of the chemical constituents and free radical scavenging activity in A. mellifera bee pollen. Methods Bee pollen was directly collected from A. mellifera colonies in Nan province, Thailand, in June, 2010, whilst floral corn (Zea mays L.) pollen was collected from the nearby corn fields. The pollen was then sequentially extracted with methanol, dichloromethane (DCM) and hexane, and each crude extract was tested for free radical scavenging activity using the DPPH assay, evaluating the percentage scavenging activity and the effective concentration at 50% (EC50). The most active crude fraction from the bee pollen was then further enriched for bioactive components by silica gel 60 quick and adsorption or Sephadex LH-20 size exclusion chromatography. The purity of all fractions in each step was observed by thin layer chromatography and the bioactivity assessed by the DPPH assay. The chemical structures of the most active fractions were analyzed by nuclear magnetic resonance. Results The crude DCM extract of both the bee corn pollen and floral corn pollen provided the highest active free radical scavenging activity of the three solvent extracts, but it was significantly (over 28-fold) higher in the bee corn pollen (EC50 = 7.42 ± 0.12 μg/ml), than the floral corn pollen (EC50 = 212 ± 13.6% μg/ml). After fractionation to homogeneity, the phenolic hydroquinone and the flavone 7-O-R-apigenin were found as the minor and major bioactive compounds, respectively. Bee corn pollen contained a reasonably diverse array of nutritional components, including biotin (56.7 μg/100

  14. Modification of carbon screen-printed electrodes by adsorption of chemically synthesized Bi nanoparticles for the voltammetric stripping detection of Zn(II), Cd(II) and Pb(II).

    PubMed

    Rico, Ma Angeles Granado; Olivares-Marín, Mara; Gil, Eduardo Pinilla

    2009-12-15

    A simple procedure for the chemical synthesis of bismuth nanoparticles and subsequent adsorption on commercial screen-printed carbon electrodes offer reliable quantitation of trace zinc, cadmium and lead by anodic stripping square-wave voltammetry in nondeareated water samples. The influence of two hydrodynamic configurations (convective cell and flow cell) and the effect of various experimental variables upon the stripping signals at the bismuth-coated sensor are explored. The square-wave peak current signal is linear over the low ng mL(-1) range (120 s deposition), with detections limits ranging from 0.9 to 4.9 ng mL(-1) and good precision. Applicability to waste water certified reference material and drinking water samples is demonstrated. The attractive behaviour of the new disposable Bi nanoparticles modified carbon strip electrodes, coupled with the negligible toxicity of bismuth, hold great promise for decentralized heavy metal testing in environmental and industrial effluents waters.

  15. Origin of central abundances in the hot intra-cluster medium. II. Chemical enrichment and supernova yield models

    NASA Astrophysics Data System (ADS)

    Mernier, F.; de Plaa, J.; Pinto, C.; Kaastra, J. S.; Kosec, P.; Zhang, Y.-Y.; Mao, J.; Werner, N.; Pols, O. R.; Vink, J.

    2016-11-01

    The hot intra-cluster medium (ICM) is rich in metals, which are synthesised by supernovae (SNe) and accumulate over time into the deep gravitational potential well of clusters of galaxies. Since most of the elements visible in X-rays are formed by type Ia (SNIa) and/or core-collapse (SNcc) supernovae, measuring their abundances gives us direct information on the nucleosynthesis products of billions of SNe since the epoch of the star formation peak (z 2-3). In this study, we compare the most accurate average X/Fe abundance ratios (compiled in a previous work from XMM-Newton EPIC and RGS observations of 44 galaxy clusters, groups, and ellipticals), representative of the chemical enrichment in the nearby ICM, to various SNIa and SNcc nucleosynthesis models found in the literature. The use of a SNcc model combined to any favoured standard SNIa model (deflagration or delayed-detonation) fails to reproduce our abundance pattern. In particular, the Ca/Fe and Ni/Fe ratios are significantly underestimated by the models. We show that the Ca/Fe ratio can be reproduced better, either by taking a SNIa delayed-detonation model that matches the observations of the Tycho supernova remnant, or by adding a contribution from the "Ca-rich gap transient" SNe, whose material should easily mix into the hot ICM. On the other hand, the Ni/Fe ratio can be reproduced better by assuming that both deflagration and delayed-detonation SNIa contribute in similar proportions to the ICM enrichment. In either case, the fraction of SNIa over the total number of SNe (SNIa+SNcc) contributing to the ICM enrichment ranges within 29-45%. This fraction is found to be systematically higher than the corresponding SNIa/(SNIa+SNcc) fraction contributing to the enrichment of the proto-solar environnement (15-25%). We also discuss and quantify two useful constraints on both SNIa (i.e. the initial metallicity on SNIa progenitors and the fraction of low-mass stars that result in SNIa) and SNcc (i.e. the effect of

  16. Chemical weathering of a soil chronosequence on granitoid alluvium: II. Mineralogic and isotopic constraints on the behavior of strontium

    USGS Publications Warehouse

    Bullen, T.; White, A.; Blum, A.; Harden, J.; Schulz, M.

    1997-01-01

    Strontium isotopes to identify sources of base cations in catchment waters and biomass, both preferential leaching of Sr from minerals during incipient soil development and changing Sr exchange efficiency must be considered along with chemical contributions due to mineral dissolution. Copyright ?? 1997 Elsevier Science Ltd.

  17. STUDIES ON THE PHYSICAL AND CHEMICAL PROPERTIES OF THE VIRUS OF FOOT-AND-MOUTH DISEASE : II. CATAPHORESIS AND FILTRATION.

    PubMed

    Olitsky, P K; Boëz, L

    1927-03-31

    Cataphoresis experiments show that the virus of foot-and-mouth disease carries, under ordinary conditions, an electropositive charge. Its isoelectric range is at the high point of pH = about 8. Although cultivable bacteria are, as a rule, electronegative, yet certain protozoa, such as trypanosomes and spirochetes are also electropositive. In respect to charge, then, the virus is different from ordinary bacteria, but there is nothing in this finding to indicate an inanimate character of the incitant. A knowledge of the charge, however, aids in the interpretation of certain filtration phenomena, and indirectly in delimiting the size of the virus. In addition, it serves to explain its remarkable resistance to certain chemicals-a subject to be dealt with in the next paper of this series. Finally, cataphoresis indicates the possible separation of the virus from protein particles. Filtration experiments were made with different types of filters: Seitz, Berkefeld V and N, and Chamberland, of practically all sizes, collodion membranes, and Bechhold's ultrafilter. The results confirm the electropositive charge of the virus, as well as the minuteness of its size. Filtration was effected through the Seitz, Berkefeld, and Chamberland filters. In regard to the latter, the active agent passed through the L 11 only when its charge was shifted to negative: under ordinary conditions, carrying an electropositive charge, it failed to traverse this more dense wall, and was completely adsorbed in the oppositely charged barrier. Filtrations through electronegative collodion membranes, prepared in different ways and of varying thicknesses, resulted, as a rule, in failure, unless the thinnest and most permeable membranes were employed. But in these, the complication of microscopic holes was to be considered. Hence this method was regarded as impracticable. Success, however, was obtained with Bechhold's ultrafilter membranes of the most permeable type, and with these it was possible to

  18. Long-term observation of water-soluble chemical components and acid-digested metals in the total suspended particles collected at Okinawa, Japan

    NASA Astrophysics Data System (ADS)

    Handa, D.; Okada, K.; Kuroki, Y.; Nakama, Y.; Nakajima, H.; Somada, Y.; Ijyu, M.; Azechi, S.; Oshiro, Y.; Nakaema, F.; Miyagi, Y.; Arakaki, T.; Tanahara, A.

    2011-12-01

    The economic growth and population increase in recent Asia have been increasing air pollution. Emission rate of air pollutants from Asia, in particular oxides of nitrogen, surpassed those from North America and Europe and should continue to exceed them for decades. Okinawa Island is situated approximately 1500 km south of Tokyo, Japan, 2000 km southeast of Beijing, China, and 1000 km south of South Korea. Its location is ideal in observing East Asia's air quality because maritime air mass prevails during summer, while continental air mass dominates during fall, winter, and spring. The maritime air mass data can be seen as background clean air and can be compared with continental air masses which have been affected by anthropogenic activities. We collected total suspended particles (TSP) on quartz filters by using a high volume air sampler at the Cape Hedo Atmosphere and Aerosol Monitoring Station (CHAAMS), Okinawa, Japan during August 2005 and August 2010. Sampling duration was one week for each sample. We determined the concentrations of water-soluble anions, cations, water-soluble organic carbon (WSOC) and acid-digested metals in TSP samples using ion chromatography, atomic absorption spectrometry, total organic carbon analyzer and Inductively Coupled Plasma Mass spectrometry (ICP-MS), respectively. Seasonal variation of water-soluble chemical components and acid-digested metals showed that the concentrations were the lowest in summer, higher in fall and winter, and the highest in spring. When air mass came from Asian continent, the concentrations of water-soluble chemical components and acid-digested metals were much higher compared to the other directions, suggesting long-range transport of air pollutants from Asian continent. Also, when the air mass came from Asian continent (75-100% dominant), the mean concentrations of non-sea salt sulfate and nitrate increased ca. 1.8 times and ca. 3.7 times, respectively between 2005 and 2010, and the ratio of nitrate to

  19. Chemical genomic screening of a Saccharomyces cerevisiae genomewide mutant collection reveals genes required for defense against four antimicrobial peptides derived from proteins found in human saliva.

    PubMed

    Lis, Maciej; Bhatt, Sanjay; Schoenly, Nathan E; Lee, Anna Y; Nislow, Corey; Bobek, Libuse A

    2013-02-01

    To compare the effects of four antimicrobial peptides (MUC7 12-mer, histatin 12-mer, cathelicidin KR20, and a peptide containing lactoferricin amino acids 1 to 11) on the yeast Saccharomyces cerevisiae, we employed a genomewide fitness screen of combined collections of mutants with homozygous deletions of nonessential genes and heterozygous deletions of essential genes. When an arbitrary fitness score cutoffs of 1 (indicating a fitness defect, or hypersensitivity) and -1 (indicating a fitness gain, or resistance) was used, 425 of the 5,902 mutants tested exhibited altered fitness when treated with at least one peptide. Functional analysis of the 425 strains revealed enrichment among the identified deletions in gene groups associated with the Gene Ontology (GO) terms "ribosomal subunit," "ribosome biogenesis," "protein glycosylation," "vacuolar transport," "Golgi vesicle transport," "negative regulation of transcription," and others. Fitness profiles of all four tested peptides were highly similar, particularly among mutant strains exhibiting the greatest fitness defects. The latter group included deletions in several genes involved in induction of the RIM101 signaling pathway, including several components of the ESCRT sorting machinery. The RIM101 signaling regulates response of yeasts to alkaline and neutral pH and high salts, and our data indicate that this pathway also plays a prominent role in regulating protective measures against all four tested peptides. In summary, the results of the chemical genomic screens of S. cerevisiae mutant collection suggest that the four antimicrobial peptides, despite their differences in structure and physical properties, share many interactions with S. cerevisiae cells and consequently a high degree of similarity between their modes of action.

  20. Phenotype-driven chemical screening in zebrafish for compounds that inhibit collective cell migration identifies multiple pathways potentially involved in metastatic invasion.

    PubMed

    Gallardo, Viviana E; Varshney, Gaurav K; Lee, Minnkyong; Bupp, Sujata; Xu, Lisha; Shinn, Paul; Crawford, Nigel P; Inglese, James; Burgess, Shawn M

    2015-06-01

    In the last decade, high-throughput chemical screening has become the dominant approach for discovering novel compounds with therapeutic properties. Automated screening using in vitro or cultured cell assays have yielded thousands of candidate drugs for a variety of biological targets, but these approaches have not resulted in an increase in drug discovery despite major increases in expenditures. In contrast, phenotype-driven screens have shown a much stronger success rate, which is why we developed an in vivo assay using transgenic zebrafish with a GFP-marked migrating posterior lateral line primordium (PLLp) to identify compounds that influence collective cell migration. We then conducted a high-throughput screen using a compound library of 2160 annotated bioactive synthetic compounds and 800 natural products to identify molecules that block normal PLLp migration. We identified 165 compounds that interfere with primordium migration without overt toxicity in vivo. Selected compounds were confirmed in their migration-blocking activity by using additional assays for cell migration. We then proved the screen to be successful in identifying anti-metastatic compounds active in vivo by performing orthotopic tumor implantation assays in mice. We demonstrated that the Src inhibitor SU6656, identified in our screen, can be used to suppress the metastatic capacity of a highly aggressive mammary tumor cell line. Finally, we used CRISPR/Cas9-targeted mutagenesis in zebrafish to genetically validate predicted targets of compounds. This approach demonstrates that the migrating PLLp in zebrafish can be used for large-scale, high-throughput screening for compounds that inhibit collective cell migration and, potentially, anti-metastatic compounds.

  1. Strain-balanced InAs/GaSb type-II superlattice structures and photodiodes grown on InAs substrates by metalorganic chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Huang, Yong; Ryou, Jae-Hyun; Dupuis, Russell D.; Zuo, Daniel; Kesler, Benjamin; Chuang, Shun-Lien; Hu, Hefei; Kim, Kyou-Hyun; Ting Lu, Yen; Hsieh, K. C.; Zuo, Jian-Min

    2011-07-01

    We propose and demonstrate strain-balanced InAs/GaSb type-II superlattices (T2SLs) grown on InAs substrates employing GaAs-like interfacial (IF) layers by metalorganic chemical vapor deposition (MOCVD) for effective strain management, simplified growth scheme, improved materials crystalline quality, and reduced substrate absorption. The in-plane compressive strain from the GaSb layers in the T2SLs on the InAs was completely balanced by the GaAs-like IF layers formed by controlled precursor carry-over and anion exchange effects, avoiding the use of complicated IF layers and precursor switching schemes that were used for the MOCVD growth of T2SLs on GaSb. An infrared (IR) p-i-n photodiode structure with 320-period InAs/GaSb T2SLs on InAs was grown and the fabricated devices show improved performance characteristics with a peak responsivity of ˜1.9 A/W and a detectivity of ˜6.78 × 109 Jones at 8 μm at 78 K. In addition, the InAs buffer layer and substrate show a lower IR absorption coefficient than GaSb substrates in most of the mid- and long-IR spectral range.

  2. Synthesis, structural, physico-chemical and biological properties of new palladium(II) complexes with 2,6-dimethyl-4-nitropyridine.

    PubMed

    Kuduk-Jaworska, Janina; Puszko, Aniela; Kubiak, Maria; Pełczyńska, Marzena

    2004-08-01

    This paper describes the synthesis and properties of two new palladium(II) complexes with 2,6-dimethyl-4-nitro-pyridine (dmnp): mononuclear [Pd(dmnp)2Cl2] and dinuclear [Pd2(dmnp)2Cl4]. Complexes were characterized on the basis of chemical and chromatographic analyses, MS and conductometric measurements, as well as by IR and NMR (1H and 13C) spectral studies. The crystal structures of ligand and mononuclear complex, trans-dichlorobis(2,6-dimethyl-4-nitro-pyridine)palladium(II), were determined by three-dimensional X-ray methods. The crystals of both compounds are monoclinic, space groups P21/c with a=19.075(4), b=5.419(1), c=15.045(3) A and beta=108.15(3)degrees for (dmnp), and a=7.544(2), b=14.509(3), c=8.032(2) A and beta=90.32(3)degrees for [Pd(dmnp)2Cl2]. In the (dmnp) there are two crystallographically independent molecules in the unit cell. The nitro groups and methyl C atoms are coplanar with the ring plane. The hydrogen bond of the type C-H...O links the molecules into pairs around center of symmetry. These dimers are held together by contacts of the van der Waals type. In the crystal structure of [Pd(dmnp)2Cl2] the Pd atom lies on an inversion center and is four-coordinated by two pyridine N atoms and by two Cl atoms in trans positions. The coordination geometry is square-planar, with Pd-N and Pd-Cl distances of 2.033(2) and 2.311(1) A, respectively. The two pyridine rings are mutually parallel, but they are twisted from the PdN2Cl2 coordination plane by about 88.5degrees. The preliminary assessments of anti-tumor properties of both complexes and ligand were evaluated as in vitro anti-proliferative activity in four human cancer cell lines: SW707 (adenocarcinoma of the rectum), T47D (breast cancer), HCV (bladder cancer) and A549 (non-small cell lung carcinoma). The [Pd(dmnp)2Cl2] exhibits strong cytotoxic activity against all cell lines whereas the free ligand and dinuclear [Pd2(dmnp)2Cl4] are only moderate active.

  3. Environmental chemical data for perishable sediments and soils collected in New Orleans, Louisiana, and along the Louisiana Delta following Hurricanes Katrina and Rita, 2005

    USGS Publications Warehouse

    Witt, Emitt C.; Shi, Honglan; Karstensen, Krista A.; Wang, Jianmin; Adams, Craig D.

    2008-01-01

    In October 2005, nearly one month after Hurricanes Katrina and Rita, a team of scientists from the U.S. Geological Survey and the Missouri University of Science and Technology deployed to southern Louisiana to collect perishable environmental data resulting from the impacts of these storms. Perishable samples collected for this investigation are subject to destruction or ruin by removal, mixing, or natural decay; therefore, collection is time-critical following the depositional event. A total of 238 samples of sediment, soil, and vegetation were collected to characterize chemical quality. For this analysis, 157 of the 238 samples were used to characterize trace element, iron, total organic carbon, pesticide, and polychlorinated biphenyl concentrations of deposited sediment and associated shallow soils. In decreasing order, the largest variability in trace element concentration was detected for lead, vanadium, chromium, copper, arsenic, cadmium, and mercury. Lead was determined to be the trace element of most concern because of the large concentrations present in the samples ranging from 4.50 to 551 milligrams per kilogram (mg/kg). Sequential extraction analysis of lead indicate that 39.1 percent of the total lead concentration in post-hurricane sediment is associated with the iron-manganese oxide fraction. This fraction is considered extremely mobile under reducing environmental conditions, thereby making lead a potential health hazard. The presence of lead in post-hurricane sediments likely is from redistribution of pre-hurricane contaminated soils and sediments from Lake Pontchartrain and the flood control canals of New Orleans. Arsenic concentrations ranged from 0.84 to 49.1 mg/kg. Although Arsenic concentrations generally were small and consistent with other research results, all samples exceeded the U.S. Environmental Protection Agency’s Human Health Medium-Specific Screening Level of 0.39 mg/kg. Mercury concentrations ranged from 0.02 to 1.30 mg

  4. Effects of molybdenum oxide molecular doping on the chemical structure of poly(3,4-ethylenedioxythiophene):poly(stylenesulfonate) and on carrier collection efficiency of silicon/poly(3,4-ethylenedioxythiophene):poly(stylenesulfonate) heterojunction solar cells

    NASA Astrophysics Data System (ADS)

    Liu, Q.; Khatri, I.; Ishikawa, R.; Ueno, K.; Shirai, H.

    2013-05-01

    The effects of MoO3 molecular doping in poly(3,4-ethylenedioxythiophene):poly(stylenesulfonate) (PEDOT:PSS) on the chemical structure and, in turn, on the carrier collection efficiency of c-Si/PEDOT:PSS heterojunction solar cells are demonstrated. Scanning electron microscopy revealed that the hydrophilic PSS polymer chain was intercalated into the interlayer van der Waals gap of MoO3 flake sheets, which modified the chemical structure of PEDOT:PSS. MoO3 exhibited intense photoluminescence in the 350-550 nm region, which enhanced the carrier collection efficiency of c-Si/PEDOT:PSS heterojunction solar cells with no significant changes. These findings suggest that the intense photoluminescence of MoO3 and its light wavelength conversion contribute to the increased carrier collection efficiency.

  5. Establishment of the U.S. castor (Ricinus communis L.) core collection using seed chemical composition analysis and genotyping with EST-SSR markers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Natural genetic variation exists in the plant germplasm collections. Normally the germplasm collection for a specific species encompasses many accessions. Due to its large number of accessions, the entire collection is hard to handle and can’t be easily utilized. To facilitate the end-users (such as...

  6. Binary Classification of a Large Collection of Environmental Chemicals from Estrogen Receptor Assays by Quantitative Structure-Activity Relationship and Machine Learning Methods

    EPA Science Inventory

    ABSTRACT: There are thousands of environmental chemicals subject to regulatory decisions for endocrine disrupting potential. A promising approach to manage this large universe of untested chemicals is to use a prioritization filter that combines in vitro assays with in silico QSA...

  7. THE SPLASH SURVEY: INTERNAL KINEMATICS, CHEMICAL ABUNDANCES, AND MASSES OF THE ANDROMEDA I, II, III, VII, X, AND XIV DWARF SPHEROIDAL GALAXIES {sup ,}

    SciTech Connect

    Kalirai, Jason S.; Beaton, Rachael L.; Majewski, Steven R.; Ostheimer, James C.; Patterson, Richard J.; Geha, Marla C.; Gilbert, Karoline M.; Guhathakurta, Puragra; Kirby, Evan N.

    2010-03-10

    We present new Keck/DEIMOS spectroscopic observations of hundreds of individual stars along the sightline to the first three of the Andromeda (M31) dwarf spheroidal (dSph) galaxies to be discovered, And I, II, and III, and combine them with recent spectroscopic studies by our team of three additional M31 dSphs, And VII, X, and XIV, as a part of the SPLASH Survey (Spectroscopic and Photometric Landscape of Andromeda's Stellar Halo). Member stars of each dSph are isolated from foreground Milky Way dwarf stars and M31 field contamination using a variety of photometric and spectroscopic diagnostics. Our final spectroscopic sample of member stars in each dSph, for which we measure accurate radial velocities with a median uncertainty (random plus systematic errors) of 4-5 km s{sup -1}, includes 80 red giants in And I, 95 in And II, 43 in And III, 18 in And VII, 22 in And X, and 38 in And XIV. The sample of confirmed members in the six dSphs is used to derive each system's mean radial velocity, intrinsic central velocity dispersion, mean abundance, abundance spread, and dynamical mass. This combined data set presents us with a unique opportunity to perform the first systematic comparison of the global properties (e.g., metallicities, sizes, and dark matter masses) of one-third of Andromeda's total known dSph population with Milky Way counterparts of the same luminosity. Our overall comparisons indicate that the family of dSphs in these two hosts have both similarities and differences. For example, we find that the luminosity-metallicity relation is very similar between L {approx} 10{sup 5} and 10{sup 7} L{sub sun}, suggesting that the chemical evolution histories of each group of dSphs are similar. The lowest luminosity M31 dSphs appear to deviate from the relation, possibly suggesting tidal stripping. Previous observations have noted that the sizes of M31's brightest dSphs are systematically larger than Milky Way satellites of similar luminosity. At lower luminosities

  8. Mixed ligand μ-phenoxo-bridged dinuclear copper(II) complexes with diimine co-ligands: efficient chemical nuclease and protease activities and cytotoxicity.

    PubMed

    Loganathan, Rangasamy; Ramakrishnan, Sethu; Suresh, Eringathodi; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar

    2014-04-28

    The water soluble mixed ligand copper(II) complexes of the type [Cu(sal)(diimine)(ClO4)]21-5, where sal is salicylaldehyde and diimine is 2,2'-bipyridine (bpy, 1), 1,10-phenanthroline (phen, 2), 5,6-dimethyl-1,10-phenanthroline (5,6-dmp, 3), 3,4,7,8-tetramethyl-1,10-phenanthroline (3,4,7,8-tmp, 4) or dipyrido[3,2-d:2',3'-f]quinoxaline (dpq, 5), and [Cu(sal)(phen)(NO3)]2 (2a) have been successfully isolated and characterized by elemental analysis and other spectral techniques. The DNA binding and cleavage properties of 1-5 have been explored by using various physical and biochemical methods. The coordination geometry around copper(II) in the X-ray structures of 1, 2, 2a and 4 is described as an elongated octahedron. The UV-Vis and EPR spectral and ESI-MS studies reveal that in solution the dinuclear complexes dissociate into essentially mononuclear [Cu(sal)(diimine)]+ species with square-based geometry. The absorption spectral titrations and competitive DNA binding studies reveal that the intrinsic DNA binding affinity of the complexes depends upon the diimine co-ligand and is of the order of dpq (5) > 3,4,7,8-tmp (4) > 5,6-dmp (3) > phen (2) > bpy (1). The complexes 2 and 5 are involved in a partial intercalative interaction with DNA base pairs, while 3 and 4 are involved in a hydrophobic interaction with DNA and 1 is involved in an electrostatic interaction with DNA, which is supported by viscosity studies. Interestingly, only 3 and 4 are selective in exhibiting a positive induced CD band (ICD) upon binding to DNA suggesting that they induce a B to A conformational change in DNA. All the complexes exhibit an oxidative DNA cleavage ability, which varies as 5 > 4 > 3 > 2 > 1. While 4 and 5 are unique in displaying prominent double-strand DNA cleavage even in the absence of an activator, 2 and 3 display only single-strand DNA cleavage. Interestingly, all the complexes exhibit oxidative double-strand DNA cleavage in the presence of ascorbic acid, with 4 and 5 showing

  9. Historical estimates of external gamma exposure and collective external gamma exposure from testing at the Nevada Test Site. I. Test series through HARDTACK II, 1958

    SciTech Connect

    Anspaugh, L.R.; Church, B.W.

    1986-07-01

    In 1959, the Test Manager's Committee to Establish Fallout Doses calculated estimated external gamma exposure at populated locations based upon measurements of external gamma-exposure rate. Using these calculations and estimates of population, we have tabulated the collective estimated external gamma exposures for communities within established fallout patterns. The total collective estimated external gamma exposure is 85,000 person-R. The greatest collective exposures occurred in three general areas: Saint George, UT; Ely, NV; and Las Vegas, NV. Three events, HARRY (19 May 1953), BEE (22 March 1955), and SMOKY (31 August 1957), accounted for more than half the total collective estimated external gamma exposure. The bases of the calculational models for external gamma exposure of infinite exposure, estimated exposure, and 1-yr effective biological exposure are explained.

  10. Historical estimates of external gamma exposure and collective external gamma exposure from testing at the Nevada Test Site. I. Test series through HARDTACK II, 1958

    SciTech Connect

    Anspaugh, L.R.; Church, B.W.

    1985-12-01

    In 1959, the Test Manager's Committee to Establish Fallout Doses calculated estimated external gamma exposure at populated locations based upon measurements of external gamma-exposure rate. Using these calculations and estimates of population, we have tabulated the collective estimated external gamma exposures for communities within established fallout patterns. The total collective estimated external gamma exposure is 85,000 person-R. The greatest collective exposures occurred in three general areas: Saint George, Utah; Ely, Nevada; and Las Vegas, Nevada. Three events, HARRY (May 19, 1953), BEE (March 22, 1955), and SMOKY (August 31, 1957), accounted for over half of the total collective estimated external gamma exposure. The bases of the calculational models for external gamma exposure of ''infinite exposure,'' ''estimated exposure,'' and ''one year effective biological exposure'' are explained. 4 figs., 7 tabs.

  11. A Residual Life Indicator (RLI) for Physical Adsorption Capacity of Nuclear, Biological, and Chemical Filters. Part 3. A Novel RLI Design for Collective Protection Demonstrated Using Breakthough and Chemical Pulse Data

    DTIC Science & Technology

    2008-11-01

    chemical. The air mixing chamber supplies humidified air to the test beds, and has a volume of 4.5 L. The dew point hygrometer samples the humidified air... Hygrometer * Mass Flow Controller Key ɠ>- Solenoid Valve ɠ>- Bed Selection Valve for Chemical —» — Thermocouple Figure 3.1 RLI Pulse Apparatus P

  12. Structure of the oxygen-evolving complex of photosystem II: information on the S(2) state through quantum chemical calculation of its magnetic properties.

    PubMed

    Pantazis, Dimitrios A; Orio, Maylis; Petrenko, Taras; Zein, Samir; Lubitz, Wolfgang; Messinger, Johannes; Neese, Frank

    2009-08-21

    Twelve structural models for the S(2) state of the oxygen-evolving complex (OEC) of photosystem II are evaluated in terms of their magnetic properties. The set includes ten models based on the 'fused twist' core topology derived by polarized EXAFS spectra and two related models proposed in recent mechanistic investigations. Optimized geometries and spin population analyses suggest that Mn(iii), which is most often identified with the manganese ion at site D, is always associated with a penta-coordinate environment, unless a chloride is directly ligated to the metal. Exchange coupling constants were determined by broken-symmetry density functional theory calculations and the complete spectrum of magnetic sublevels was obtained by direct diagonalization of the Heisenberg Hamiltonian. Seven models display a doublet ground state and are considered spectroscopic models for the ground state corresponding to the multiline signal (MLS) of the S(2) state of the OEC, whereas the remaining five models display a sextet ground state and could be related to the g = 4.1 signal of the S(2) state. It is found that the sign of the exchange coupling constant between the Mn centres at positions A and B of the cluster is directly related to the ground state multiplicity, implying that interconversion between the doublet and sextet can be induced by only small structural perturbations. The recently proposed quantum chemical method for the calculation of (55)Mn hyperfine coupling constants is subsequently applied to the S(2) MLS state models and the quantities that enter into the individual steps of the procedure (site-spin expectation values, intrinsic site isotropic hyperfine parameters and projected (55)Mn isotropic hyperfine constants) are analyzed and discussed in detail with respect to the structural and electronic features of each model. The current approach performs promisingly. It reacts sensitively to structural distortions and hence may be able to distinguish between different

  13. A Relativistic Quantum-Chemical Analysis of the trans Influence on (1)H NMR Hydride Shifts in Square-Planar Platinum(II) Complexes.

    PubMed

    Greif, Anja H; Hrobárik, Peter; Hrobáriková, Veronika; Arbuznikov, Alexei V; Autschbach, Jochen; Kaupp, Martin

    2015-08-03

    Empirical correlations between characteristic (1)H NMR shifts in Pt(II) hydrides with trans ligand influence series, Pt-H distances, and (195)Pt shifts are analyzed at various levels of including relativistic effects into density-functional calculations. A close examination of the trans ligand effects on hydride NMR shifts is shown to be dominated by spin-orbit shielding σ(SO). A rather complete understanding of the trends has been obtained by detailed molecular orbital (MO)-by-MO and localized MO analyses of the paramagnetic and spin-orbit (SO) contributions to the chemical shifts, noting that it is the perpendicular shift-tensor components that determine the trend of the (1)H hydride shifts. In contrast to previous assumptions, the change of the Pt-H distance in given complexes does not allow correlations between hydride shifts and metal-hydrogen bond length to be understood. Instead, variations in the polarization of metal 5d orbitals by the trans ligand affects the SO (and partly paramagnetic) shift contributions, as well as the Pt-H distances and the covalency of the metal-hydrogen bond (quantified, e.g., by natural atomic charges and delocalization indices from quantum theory atoms-in-molecules), resulting in a reasonable correlation of these structural/electronic quantities with hydride σ(SO) shieldings. Our analysis also shows that specific σ(p)- and σ(SO)-active MOs are not equally important across the entire series. This explains some outliers in the correlation for limited ranges of trans-influence ligands. Additionally, SO effects from heavy-halide ligands may further complicate trends, indicating some limitations of the simple one-parameter correlations. Strikingly, σ-donating/π-accepting ligands with a very strong trans influence are shown to invert the sign of the usually shielding σ(SO) contribution to the (1)H shifts, by a substantial reduction of the metal 5d orbital involvement in Pt-H bonding, and by involvement of metal 6p-type orbitals

  14. Ultrafast Dynamics of Chemical Reactions.

    DTIC Science & Technology

    2007-11-02

    Michael R. Berman 11 SUPPLEMENTARY NOTES 12a D!STRIBUTION AVAILABILITY STATEMENT 12b. DISTRIBUTION CODE 13 Ap’-,T,,,ACT `’,Ii "•--200words) The research and...Caltech), Professor K. Wilson (UC, San Diego), and Professor J. Polanyi (Toronto). 3 6. Publications (1995/1996) Books Collected Works (up to 1994...1995) Direct Observation of The Transition State J. C. Polanyi and A. H. Zewail Accounts of Chemical Research (Holy-Grail Special Issue), 28,119 (1995

  15. Inplementation of an automated signal processing approach for the analysis of chemical spectral signatures collected from FT-IR mounted in an aircraft

    SciTech Connect

    Kroutil, Robert T

    2008-01-01

    The automated detection of chemical spectral signatures using a passive infrared Fourier Transform Infrared (FT-IR) Spectrometer mounted in an aircraft is a difficult challenge due to the small total infrared energy contribution of a particular chemical species compared to the background signature. The detection of spectral signatures is complicated by the fact that a large, widely varying infrared background is present that is coupled with the presence of a number of chemical interferents in the atmosphere. This paper describes a mathematical technique that has been demonstrated to automatically detect specific chemical species in an automated processing environment. The data analysis methodology has been demonstrated to be effective using data of low spectral resolution at low aircraft altitudes. An overview of the implementation and basic concepts of the approach are presented.

  16. "Self-activating" chemical nuclease: ferrocenyl cyclen Cu(II) complexes act as efficient DNA cleavage reagents in the absence of reductant.

    PubMed

    Li, Kun; Zhou, Li-Hong; Zhang, Ji; Chen, Shan-Yong; Zhang, Zhong-Wei; Zhang, Jing-Jing; Lin, Hong-Hui; Yu, Xiao-Qi

    2009-04-01

    The interactions of cyclen Cu(II) complexes functionalized by ferrocenyl group with plasmid DNA indicated that these complexes have high cleavage efficiency via an oxidative mechanism in the absence of any reductant or oxidant.

  17. Chemical reduction of U(VI) by Fe(II) at the solid-water interface using natural and synthetic Fe(III) oxides.

    PubMed

    Jeon, Byong-Hun; Dempsey, Brian A; Burgos, William D; Barnett, Mark O; Roden, Eric E

    2005-08-01

    Abiotic reduction of 0.1 mM U(VI) by Fe(II) in the presence of synthetic iron oxides (biogenic magnetite, goethite, and hematite) and natural Fe(III) oxide-containing solids was investigated in pH 6.8 artificial groundwater containing 10 mM NaHCO3. In most experiments, more than 95% of added U(VI) was sorbed to solids. U(VI) was rapidly and extensively (> or = 80%) reduced in the presence of synthetic Fe(III) oxides and highly Fe(II) oxide-enriched (18-35 wt % Fe) Atlantic coastal plain sediments. In contrast, long-term (20-60 d) U(VI) reduction was less than 30% in suspensions of six other natural solids with relatively low Fe(III) oxide content (1-5 wt % Fe). Fe(II) sorption site density was severalfold lower on these natural solids (0.2-1.1 Fe(II) nm(-2)) compared tothe synthetic Fe(lII) oxides (1.6-3.2 Fe(II) nm(-2)), which may explain the poor U(VI) reduction in the natural solid-containing systems. Addition of the reduced form of the electron shuttling compound anthrahydroquinone-2,6-disulfonate (AH2DS; final concentration 2.5 mM) to the natural solid suspensions enhanced the rate and extent of U(VI) reduction, suggesting that AH2DS reduced U(VI) at surface sites where reaction of U(VI) with sorbed Fe(II) was limited. This study demonstrates that abiotic, Fe(II)-driven U(VI) reduction is likely to be less efficient in natural soils and sediments than would be inferred from studies with synthetic Fe(III) oxides.

  18. Indirect-Collective Referencing (ICR) in the Elite Journal Literature of Physics. II. A Literature Science Study on the Level of Communications.

    ERIC Educational Resources Information Center

    Szava-Kovats, Endre

    2002-01-01

    Continues previous research on indirect-collective referencing (ICR) in physics literature, focusing on the level of communications and specific degree of documentedness of a communication. Explains ICR as a special kind of scientific referencing, mentioning references that are not indexed and hence not included in the Science Citation Index. (LRW)

  19. Subject Indexing and Citation Indexing--Part I: Clustering Structure in the Cystic Fibrosis Document Collection [and] Part II: An Evaluation and Comparison.

    ERIC Educational Resources Information Center

    Shaw, W. M., Jr.

    1990-01-01

    These two articles discuss clustering structure in the Cystic Fibrosis Document Collection, which is derived from the National Library of Medicine's MEDLINE file. The exhaustivity of four subject representations and two citation representations is examined, and descriptor-weight thresholds and similarity thresholds are used to compute…

  20. High-Frequency (13)C and (29)Si NMR Chemical Shifts in Diamagnetic Low-Valence Compounds of Tl(I) and Pb(II): Decisive Role of Relativistic Effects.

    PubMed

    Vícha, Jan; Marek, Radek; Straka, Michal

    2016-02-15

    The (13)C and (29)Si NMR signals of ligand atoms directly bonded to Tl(I) or Pb(II) heavy-element centers are predicted to resonate at very high frequencies, up to 400 ppm for (13)C and over 1000 ppm for (29)Si, outside the typical experimental NMR chemical-shift ranges for a given type of nuclei. The large (13)C and (29)Si NMR chemical shifts are ascribed to sizable relativistic spin-orbit effects, which can amount to more than 200 ppm for (13)C and more than 1000 ppm for (29)Si, values unexpected for diamagnetic compounds of the main group elements. The origin of the vast spin-orbit contributions to the (13)C and (29)Si NMR shifts is traced to the highly efficient 6p → 6p* metal-based orbital magnetic couplings and related to the 6p orbital-based bonding together with the low-energy gaps between the occupied and virtual orbital subspaces in the subvalent Tl(I) and Pb(II) compounds. New NMR spectral regions for these compounds are suggested based on the fully relativistic density functional theory calculations in the Dirac-Coulomb framework carefully calibrated on the experimentally known NMR data for Tl(I) and Pb(II) complexes.

  1. Xenobiotic metabolism capacities of human skin in comparison with a 3D-epidermis model and keratinocyte-based cell culture as in vitro alternatives for chemical testing: phase II enzymes.

    PubMed

    Götz, Christine; Pfeiffer, Roland; Tigges, Julia; Ruwiedel, Karsten; Hübenthal, Ulrike; Merk, Hans F; Krutmann, Jean; Edwards, Robert J; Abel, Josef; Pease, Camilla; Goebel, Carsten; Hewitt, Nicola; Fritsche, Ellen

    2012-05-01

    The 7th Amendment to the EU Cosmetics Directive prohibits the use of animals in cosmetic testing for certain endpoints, such as genotoxicity. Therefore, skin in vitro models have to replace chemical testing in vivo. However, the metabolic competence neither of human skin nor of alternative in vitro models has so far been fully characterized, although skin is the first-pass organ for accidentally or purposely (cosmetics and pharmaceuticals) applied chemicals. Thus, there is an urgent need to understand the xenobiotic-metabolizing capacities of human skin and to compare these activities to models developed to replace animal testing. We have measured the activity of the phase II enzymes glutathione S-transferase, UDP-glucuronosyltransferase and N-acetyltransferase in ex vivo human skin, the 3D epidermal model EpiDerm 200 (EPI-200), immortalized keratinocyte-based cell lines (HaCaT and NCTC 2544) and primary normal human epidermal keratinocytes. We show that all three phase II enzymes are present and highly active in skin as compared to phase I. Human skin, therefore, represents a more detoxifying than activating organ. This work systematically compares the activities of three important phase II enzymes in four different in vitro models directly to human skin. We conclude from our studies that 3D epidermal models, like the EPI-200 employed here, are superior over monolayer cultures in mimicking human skin xenobiotic metabolism and thus better suited for dermatotoxicity testing.

  2. Estimation of the chemical-induced eye injury using a Weight-of-Evidence (WoE) battery of 21 artificial neural network (ANN) c-QSAR models (QSAR-21): part II: corrosion potential.

    PubMed

    Verma, Rajeshwar P; Matthews, Edwin J

    2015-03-01

    This is part II of an in silico investigation of chemical-induced eye injury that was conducted at FDA's CFSAN. Serious eye damage caused by chemical (eye corrosion) is assessed using the rabbit Draize test, and this endpoint is an essential part of hazard identification and labeling of industrial and consumer products to ensure occupational and consumer safety. There is an urgent need to develop an alternative to the Draize test because EU's 7th amendment to the Cosmetic Directive (EC, 2003; 76/768/EEC) and recast Regulation now bans animal testing on all cosmetic product ingredients and EU's REACH Program limits animal testing for chemicals in commerce. Although in silico methods have been reported for eye irritation (reversible damage), QSARs specific for eye corrosion (irreversible damage) have not been published. This report describes the development of 21 ANN c-QSAR models (QSAR-21) for assessing eye corrosion potential of chemicals using a large and diverse CFSAN data set of 504 chemicals, ADMET Predictor's three sensitivity analyses and ANNE classification functionalities with 20% test set selection from seven different methods. QSAR-21 models were internally and externally validated and exhibited high predictive performance: average statistics for the training, verification, and external test sets of these models were 96/96/94% sensitivity and 91/91/90% specificity.

  3. Chemical Transformation Simulator

    EPA Science Inventory

    The Chemical Transformation Simulator (CTS) is a web-based, high-throughput screening tool that automates the calculation and collection of physicochemical properties for an organic chemical of interest and its predicted products resulting from transformations in environmental sy...

  4. Review of the Department of the Army Pesticide Monitoring Program: Evaluation of Soil and Sediment Samples Collected during Calendar Years 1975-1978. Part II.

    DTIC Science & Technology

    1981-03-01

    October 1979, subject: AMEDD Pest Management Program. 2. REFERENCES. See Appendix A for a listing of references. 3. PURPOSE. Data collected over a 4-year...possible problem areas. KENNETH L. OLDS Entomologist Pest Management & Pesticide Monitoring Division J. HOWARD VINOPAL, Ph.D., R.P.E. Entomologist...Chemist Pest Management & Pesticide Monitoring Division JOHN F. SUPROCK Entomologist Pest Management & Pesticide Monitoring Division THOMAS M. WHITE

  5. Gamma II

    NASA Astrophysics Data System (ADS)

    Barker, Thurburn; Castelaz, M.; Cline, J.; Owen, L.; Boehme, J.; Rottler, L.; Whitworth, C.; Clavier, D.

    2011-05-01

    GAMMA II is the Guide Star Automatic Measuring MAchine relocated from STScI to the Astronomical Photographic Data Archive (APDA) at the Pisgah Astronomical Research Institute (PARI). GAMMA II is a multi-channel laser-scanning microdensitometer that was used to measure POSS and SERC plates to create the Guide Star Catalog and the Digital Sky Survey. The microdensitometer is designed with submicron accuracy in x and y measurements using a HP 5507 laser interferometer, 15 micron sampling, and the capability to measure plates as large as 0.5-m across. GAMMA II is a vital instrument for the success of digitizing the direct, objective prism, and spectra photographic plate collections in APDA for research. We plan several targeted projects. One is a collaboration with Drs. P.D. Hemenway and R. L. Duncombe who plan to scan 1000 plates of 34 minor planets to identify systematic errors in the Fundamental System of celestial coordinates. Another is a collaboration with Dr. R. Hudec (Astronomical Institute, Academy of Sciences of the Czech Republic) who is working within the Gaia Variability Unit CU7 to digitize objective prism spectra on the Henize plates and Burrell-Schmidt plates located in APDA. These low dispersion spectral plates provide optical counterparts of celestial high-energy sources and cataclysmic variables enabling the simulation of Gaia BP/RP outputs. The astronomical community is invited to explore the more than 140,000 plates from 20 observatories now archived in APDA, and use GAMMA II. The process of relocating GAMMA to APDA, re-commissioning, and starting up the production scan programs will be described. Also, we will present planned research and future upgrades to GAMMA II.

  6. Chemicals of emerging concern in water and bottom sediment in the Great Lakes Basin, 2012: collection methods, analytical methods, quality assurance, and study data

    USGS Publications Warehouse

    Lee, Kathy E.; Langer, Susan K.; Menheer, Michael A.; Hansen, Donald S.; Foreman, William T.; Furlong, Edward T.; Jorgenson, Zachary G.; Choy, Steven J.; Moore, Jeremy N.; Banda, JoAnn; Gefell, Daniel J.

    2015-01-01

    During this study, 53 environmental samples, 4 field duplicate samples, and 8 field spike samples of bottom sediment and laboratory matrix-spike samples were analyzed for a wide variety of CECs at the USGS National Water Quality Laboratory using laboratory schedule 5433 for wastewater indicators; research method 6434 for steroid hormones, sterols, and bisphenol A; and research method 9008 for human-use pharmaceuticals and antidepressants. Forty of the 57 chemicals analyzed using laboratory schedule 5433 had detectable concentrations ranging from 1 to 49,000 micrograms per kilogram. Fourteen of the 20 chemicals analyzed using research method 6434 had detectable concentrations ranging from 0.04 to 24,940 nanograms per gram. Ten of the 20 chemicals analyzed using research method 9008 had detectable concentrations ranging from 0.59 to 197.5 micrograms per kilogram. Five of the 11 chemicals analyzed using research method 9008 had detectable concentrations ranging from 1.16 to 25.0 micrograms per kilogram.

  7. Synthesis and magnetic properties of a new family of macrocyclic M(II)3Ln(III) complexes: insights into the effect of subtle chemical modification on single-molecule magnet behavior.

    PubMed

    Feltham, Humphrey L C; Clérac, Rodolphe; Ungur, Liviu; Vieru, Veacheslav; Chibotaru, Liviu F; Powell, Annie K; Brooker, Sally

    2012-10-15

    Thirteen tetranuclear mixed-metal complexes of the hexaimine macrocycle (L(Pr))(6-) have been prepared in a one-pot 3:1:3:3 reaction of copper(II) acetate hydrate, the appropriate lanthanide(III) nitrate hydrate, 1,4-diformyl-2,3-dihydroxybenzene (1), and 1,3-diaminopropane. The resulting family of copper(II)-lanthanide(III) macrocyclic complexes has the general formula Cu(II)(3)Ln(III)(L(Pr))(NO(3))(3)·solvents (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Tb, Ho, Er, Tm, or Yb). X-ray crystal structure determinations carried out on [Cu(3)Ce(L(Pr))(NO(3))(3)(MeOH)(3)] and [Cu(3)Dy(L(Pr))(NO(3))(3)(MeOH)(3)] confirmed that the large Ln(III) ion is bound in the central O(6) site and the three square pyramidal Cu(II) ions in the outer N(2)O(2) sites (apical donor either nitrate anion or methanol molecule) of the Schiff base macrocycle. Only the structurally characterized Cu(3)Tb complex, reported earlier, is a single-molecule magnet (SMM): the other 12 complexes do not exhibit an out-of-phase ac susceptibility signal or hysteresis of magnetization in a dc field. Ab initio calculations allowed us to rationalize the observed magnetic properties, including the significant impact of subtle chemical modification on SMM behavior. Broken-symmetry density functional theory (BS-DFT) calculations show there is a subtle structural balance as to whether the Cu···Cu exchange coupling is ferro- or antiferromagnetic. Of the family of 13 magnetically characterized tetranuclear Cu(II)(3)Ln(III) macrocyclic complexes prepared, only the Tb(III) complex is an SMM: the theoretical reasons for this are discussed.

  8. Fundamental Studies of Molecule-Surface Encounters Relevant to Molecular Adsorption, Size and Chemically Selective Collection, and Trace Identification/C and L (CBT)

    DTIC Science & Technology

    2011-03-03

    Manuscripts: 0.00 Patents Submitted Patents Awarded Awards Director, The James Franck Institute, July 2001-June 2007. Director, NSF Center for Chemical...Identification/C and L (CBT) Performing Organization: The University of Chicago Principal Investigator: Professor Steven J. Sibener The James Franck ...Dynamics of Water on Ice Using Molecular Beam Techniques, K.D. Gibson, Daniel R. Killelea, Hanqiu Yuan, James S. Becker and S.J. Sibener, J. Chem

  9. 78 FR 16698 - Chemical Facility Anti-Terrorism Standards (CFATS) Chemical-Terrorism Vulnerability Information...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-03-18

    ... SECURITY Chemical Facility Anti-Terrorism Standards (CFATS) Chemical- Terrorism Vulnerability Information... Collection Request, Chemical Facility Anti- Terrorism Standards (CFATS) Chemical-terrorism Vulnerability... chemical facilities. On April 9, 2007, the Department issued an Interim Final Rule (IFR), implementing...

  10. Feasibility study of sub-10-nm-half-pitch fabrication by chemically amplified resist processes of extreme ultraviolet lithography: II. Stochastic effects

    NASA Astrophysics Data System (ADS)

    Kozawa, Takahiro; Santillan, Julius Joseph; Itani, Toshiro

    2015-03-01

    Line edge roughness (LER) rapidly increases in the sub-10-nm-half-pitch region of resist processes used for the fabrication of semiconductor devices. Sub-10-nm fabrication with high throughput is a challenging task. In this study, the stochastic effects (LER and stochastic defect generation) of chemically amplified resist processes in the sub-10-nm-half-pitch node were investigated, assuming the use of extreme ultraviolet (EUV) lithography. The latent images were calculated by a Monte Carlo method on the basis of the sensitization and reaction mechanisms of chemically amplified EUV resists. 7-nm-half-pitch fabrication by chemically amplified resist processes is considered to be feasible. However, significant improvement in the efficiencies of the conversion processes from optical images to resist images is required.

  11. Environmental risks of chemicals and genetically modified organisms: a comparison. Part II: Sustainability and precaution in risk assessment and risk management.

    PubMed

    Steinhäuser, K G

    2001-01-01

    The principles of precaution and sustainability require more consideration in the assessment of environmental risks posed by chemicals and genetically modified organisms. Instead of applying risk reduction measures when there are serious indications for damage, full scientific certainty is often waited for before taking action. The precautionary principle particularly should be applied in those cases in which the extent and probability of damage are uncertain, e.g. in the case of persistent chemicals which are additionally bioaccumulative or highly mobile. Based on these principles, environmental action targets for risks associated with GMOs and chemicals can be developed. Risk management not only includes statutory measures but also instruments designed to influence behaviour indirectly are important to achieve the goals. Particularly for risks of GMOs which provoke fear, risk communication is important. Some rules to which attention should be paid in communication with the public are presented.

  12. Potential application of population models in the European ecological risk assessment of chemicals. II. Review of models and their potential to address environmental protection aims.

    PubMed

    Galic, Nika; Hommen, Udo; Baveco, J M Hans; van den Brink, Paul J

    2010-07-01

    Whereas current chemical risk assessment (RA) schemes within the European Union (EU) focus mainly on toxicity and bioaccumulation of chemicals in individual organisms, most protection goals aim at preserving populations of nontarget organisms rather than individuals. Ecological models are tools rarely recommended in official technical documents on RA of chemicals, but are widely used by researchers to assess risks to populations, communities and ecosystems. Their great advantage is the relatively straightforward integration of the sensitivity of species to chemicals, the mode of action and fate in the environment of toxicants, life-history traits of the species of concern, and landscape features. To promote the usage of ecological models in regulatory risk assessment, this study tries to establish whether existing, published ecological modeling studies have addressed or have the potential to address the protection aims and requirements of the chemical directives of the EU. We reviewed 148 publications, and evaluated and analyzed them in a database according to defined criteria. Published models were also classified in terms of 5 areas where their application would be most useful for chemical RA. All potential application areas are well represented in the published literature. Most models were developed to estimate population-level responses on the basis of individual effects, followed by recovery process assessment, both in individuals and at the level of metapopulations. We provide case studies for each of the proposed areas of ecological model application. The lack of clarity about protection goals in legislative documents made it impossible to establish a direct link between modeling studies and protection goals. Because most of the models reviewed here were not developed for regulatory risk assessment, there is great potential and a variety of ecological models in the published literature.

  13. The 5th World Congress of chemical engineering: Technologies critical to a changing World. Volume II: Agriculture, food biotechnology biomedical electric power process safety

    SciTech Connect

    1996-12-31

    Volume 2 of the proceedings from the 5th World Congress of Chemical Engineering covers four major topic areas from which papers were selected for the database: Agriculture, Food; Biotechnology; Electric Power, and Process Safety. Pertinent subtopics include: Renewable Resource Engineering; Special Processes in the Food Industry; Advances in Metabolite Production; Advances in Fermentation and Cell Culture Engineering; Coal and Nuclear Central Station Power Plants; Large Natural Gas Fired Power Stations; Distributed Generation; Potential Impact of Biomass Energy; and Chemical Hazards in Plant Design. 29 papers were selected from Volume 1 for the database.

  14. High-throughput analytical techniques for determination of residues of 653 multiclass pesticides and chemical pollutants in tea, Part II: comparative study of extraction efficiencies of three sample preparation techniques.

    PubMed

    Fan, Chun-Lin; Chang, Qiao-Ying; Pang, Guo-Fang; Li, Zeng-Yin; Kang, Jian; Pan, Guo-Qing; Zheng, Shu-Zhan; Wang, Wen-Wen; Yao, Cui-Cui; Ji, Xin-Xin

    2013-01-01

    This paper reports a study of the extraction efficiency for the multiresidue pesticides and chemical pollutants in tea with three methods over three stages. Method 1 adopts the Pang et al. approach: the targets were extracted with 1% acetic acid in acetonitrile and cleaned up with a Cleanert TPT SPE cartridge; Method 2 adopts the QuEChERS approach: the targets were cleaned up dispersively with graphitized carbon and primary-secondary amine (PSA) sorbent; Method 3 adopts the relatively commonly used approach of hydration for solid samples, with tea hydrated before being extracted through salting out with acetonitrile and the cleanup procedures identical to those of Method 1. The three stages comprised two phases of comparative tests on spike recoveries of 201 pesticides and chemical pollutants from different teas and a third phase on determination of the content of the 201 pesticides and chemical pollutants from aged tea samples. In stages I and II, test results of the spike recoveries of 201 pesticides and chemical pollutants demonstrated that 91.4% of the pesticide and chemical pollutant recoveries fell within the range of 70-110%, and 93.2% of the pesticides and chemical pollutants had RSD < 15%, with no marked difference obtained by Method 1 and Method 2 regardless of whether it was green tea or woolong tea, or GC/MS or GC/MS/MS was used for analysis. For pigment removal, Method 1 was superior to Method 2; in terms of easy operation, Method 2 outweighed Method 1. However, Method 3 obtained relatively low recoveries, with 94% of pesticide and chemical pollutant recoveries less than 70%, which proved that Method 3 was not applicable to the determination of multiresidue pesticides and chemical pollutants in tea. Stage III made a comparison of Method 1 and Method 2 for the extraction efficiency of pesticides and chemical pollutants in 165-day-aged samples of green and woolong tea. Test results showed that 94% of the pesticide and chemical pollutant content in the

  15. Phase I and II liver enzyme activities in juvenile alligators (Alligator mississippiensis) collected from three sites in the Kissimmee-Everglades drainage, Florida (USA).

    PubMed

    Gunderson, M P; Oberdörster, E; Guillette, L J

    2004-10-01

    We examined CYP1A (measured using hepatic EROD and MROD activities) and glutathione-S-transferase (GST) activities in juvenile alligators (Alligator mississippiensis) collected from three sites with varying contamination in the Kissimmee-Everglades drainage in south Florida. We hypothesized that contaminants present in areas with intermediate or higher contaminant concentrations would alter hepatic enzyme activities in juvenile alligators from those sites when compared to hepatic enzyme activity in animals from the area with the least contamination. EROD activity was found to be higher in animals from the site with lower reported levels of contamination relative to those from the site with the highest reported contamination suggesting an inhibition of CYP1A expression or activity. No differences among animals from the three sites were observed for hepatic MROD and GST activities. A significant negative relationship between EROD, MROD, and GST activities and body size was exhibited in alligators from the site with the lowest contamination. No relationship between body size and hepatic enzyme activity was found in animals from the sites with intermediate and higher contamination, suggesting that contaminants present at these sites act to alter this relationship. No correlation was observed in this study between plasma steroid concentrations (estradiol-17 beta or testosterone) and hepatic EROD, MROD, or GST activities.

  16. Science research annual, volume II: a collection of science staff memoranda and letters from the Illinois Legislature Council - January-June 1980. Annual report Jan 80-Sep 81

    SciTech Connect

    Dutton, J.A.

    1981-09-01

    This volume contains a collection of correspondence and contributions from the Illinois Legislative Council. The memoranda, which have been organized into research reports, answer requests from individual legislators for information on specific science, technology, and public policy issues, and include information sources and pertinent legislation of the 81st Illinois General Assembly. Topics covered are as follows: abortion information; accidental deer slaughter; regulation of airport noise pollution; historical artifacts preservation; asbestos health hazards; automobile repair legislation; HLA blood tests; financial aid for catastrophic illness; cost comparison of coal and nuclear power; mandates for coroners versus medical examiners; dialysis patient programs; drug paraphernalia legislation; electric generating capacity of Fox River dams; energy efficiency in appliances; euthanasia; farmland preservation; licenses for fish dealers; gasohol definition, grants, and other states' laws; medical precautions at football games; the Ames, Iowa methane plant; metric sales laws; proposed mining regulations; nuclear power referenda; nuclear waste disposal; pharmaceutical assistance and renewable prescriptions for the aged; licensing of radiation device operators; scientific creationism; solar energy grants and loans; funding for solar energy programs; sulfur dioxide standards; and visual aid programs.

  17. Biogeochemical Cycles for Combining Chemical Knowledge and ESD Issues in Greek Secondary Schools Part II: Assessing the Impact of the Intervention

    ERIC Educational Resources Information Center

    Koutalidi, Sophia; Psallidas, Vassilis; Scoullos, Michael

    2016-01-01

    In searching for effective ways to combine science/chemical education with EE/ESD, new didactic materials were designed and produced focussing on biogeochemical cycles and their connection to sustainable development. The materials were experimentally applied in 16 Greek schools under the newly introduced compulsory "school project" which…

  18. In-Situ Study of Chemical Versus Biogenic Iron Mineral (Trans)formation with the Miniaturized Backscattering Mössbauer Spectrometer MIMOS II

    NASA Astrophysics Data System (ADS)

    Markovski, C.; Byrne, J.; Schröder, C.; Kappler, A.; Klingelhöfer, G.

    2014-07-01

    The purpose of this study is to develop new methods of monitoring biogenic and chemical iron (oxyhydr)oxide mineral transformations in-situ, with the eventual aim of searching for clues of biological processes which may have once occurred on Mars.

  19. Tiered High-Throughput Screening Approach to Identify Thyroperoxidase Inhibitors within the ToxCast Phase I and II Chemical Libraries

    EPA Science Inventory

    High-throughput screening (HTS) for potential thyroid–disrupting chemicals requires a system of assays to capture multiple molecular-initiating events (MIEs) that converge on perturbed thyroid hormone (TH) homeostasis. Screening for MIEs specific to TH-disrupting pathways is limi...

  20. THE MOST METAL-POOR STARS. II. CHEMICAL ABUNDANCES OF 190 METAL-POOR STARS INCLUDING 10 NEW STARS WITH [Fe/H] {<=} -3.5 , ,

    SciTech Connect

    Yong, David; Norris, John E.; Bessell, M. S.; Asplund, M.; Christlieb, N.; Beers, Timothy C.; Barklem, P. S.; Frebel, Anna; Ryan, S. G. E-mail: jen@mso.anu.edu.au E-mail: martin@mso.anu.edu.au E-mail: beers@pa.msu.edu E-mail: afrebel@mit.edu

    2013-01-01

    We present a homogeneous chemical abundance analysis of 16 elements in 190 metal-poor Galactic halo stars (38 program and 152 literature objects). The sample includes 171 stars with [Fe/H] {<=} -2.5, of which 86 are extremely metal poor, [Fe/H] {<=} -3.0. Our program stars include 10 new objects with [Fe/H] {<=} -3.5. We identify a sample of 'normal' metal-poor stars and measure the trends between [X/Fe] and [Fe/H], as well as the dispersion about the mean trend for this sample. Using this mean trend, we identify objects that are chemically peculiar relative to 'normal' stars at the same metallicity. These chemically unusual stars include CEMP-no objects, one star with high [Si/Fe], another with high [Ba/Sr], and one with unusually low [X/Fe] for all elements heavier than Na. The Sr and Ba abundances indicate that there may be two nucleosynthetic processes at lowest metallicity that are distinct from the main r-process. Finally, for many elements, we find a significant trend between [X/Fe] versus T {sub eff}, which likely reflects non-LTE and/or three-dimensional effects. Such trends demonstrate that care must be exercised when using abundance measurements in metal-poor stars to constrain chemical evolution and/or nucleosynthesis predictions.

  1. QSAR Classification of ToxCast and Tox21 Chemicals on the Basis of Estrogen Receptor Assays (FutureToxII)

    EPA Science Inventory

    The ToxCast and Tox21 programs have tested ~8,200 chemicals in a broad screening panel of in vitro high-throughput screening (HTS) assays for estrogen receptor (ER) agonist and antagonist activity. The present work uses this large in vitro data set to develop in silico QSAR model...

  2. Thermal and chemical evolution in the early Solar System as recorded by FUN CAIs: Part II - Laboratory evaporation of potential CMS-1 precursor material

    NASA Astrophysics Data System (ADS)

    Mendybaev, Ruslan A.; Williams, Curtis D.; Spicuzza, Michael J.; Richter, Frank M.; Valley, John W.; Fedkin, Alexei V.; Wadhwa, Meenakshi

    2017-03-01

    We present the results of laboratory experiments in which a forsterite-rich melt estimated to be a potential precursor of Allende CMS-1 FUN CAI was evaporated into vacuum for different lengths of time at 1900 °C. The evaporation of this melt resulted in residues that define trajectories in chemical as well as magnesium, silicon and oxygen isotopic composition space and come very close to the measured properties of CMS-1. The isotopic composition of the evaporation residues was also used to determine the kinetic isotopic fractionation factors [α2,1 (vapor-melt) defined as the ratio of isotopes 2 and 1 of a given element in the evaporating gas divided by their ratio in the evaporating source] for evaporation of magnesium (α25,24 for 25Mg/24Mg), silicon (α29,28 for 29Si/28Si) and oxygen (α18,16 for 18O/16O) from the forsterite-rich melt at 1900 °C. The values of α25,24 = 0.98383 ± 0.00033 and α29,28 = 0.99010 ± 0.00038 are essentially independent of change in the melt composition as evaporation proceeds. In contrast, α18,16 changes from 0.9815 ± 0.0016 to ∼0.9911 when the residual melt composition changes from forsteritic to melilitic. Using the determined values of α25,24 and α29,28 and present-day bulk chemical composition of the CMS-1, the composition of the precursor of the inclusion was estimated to be close to the clinopyroxene + spinel + forsterite assemblage condensed from a solar composition gas. The correspondence between the chemical composition and isotopic fractionation of experimental evaporation residues and the present-day bulk chemical and isotopic compositions of CMS-1 is evidence that evaporation played a major role in the chemical evolution of CMS-1.

  3. Relationships between anthropogenic chemical contaminant exposure and associated changes in reproductive parameters in male English sole (Parophrys vetulus) collected from Hylebos Waterway, Puget Sound, Washington.

    PubMed

    Sol, Sean Y; Johnson, Lyndal L; Boyd, Daryle; Olson, O Paul; Lomax, Dan P; Collier, Tracy K

    2008-11-01

    Effects of chemical contaminant exposure on gonadal development in adult male English sole (Parophrys vetulus) from Hylebos Waterway and Colvos Passage, Puget Sound, Washington were investigated. Hylebos Waterway sediment is contaminated with polycyclic aromatic hydrocarbons (PAHs) and organochlorines (OCs), and Colvos Passage, a nearby nonurban area, is minimally contaminated. Fish from Hylebos Waterway had higher concentrations of both PAHs and OCs in tissues than fish from Colvos Passage. Overall, little correlation was observed between PAH exposure and biological parameters, but strong correlations were observed between OCs and the biological parameters. Migration of fish from less contaminated areas into the Hylebos Waterway during the reproductive season might have influenced these results, based on temporal changes in fish age and contaminant concentrations.

  4. A chemical test of the principle of critical point universality: The solubility of nickel (II) oxide in isobutyric acid + water near the consolute point

    NASA Astrophysics Data System (ADS)

    Hu, Baichuan; Baird, James K.; Richey, Randi D.; Reddy, Ramana G.

    2011-04-01

    A mixture of isobutyric acid + water has an upper consolute point at 38.8 mass % isobutyric acid and temperature near 26 °C. Nickel (II) oxide dissolves in this mixture by reacting with the acid to produce water and nickel isobutyrate. The solubility of nickel (II) oxide in isobutyric acid + water has been measured as a function of temperature at compositions, 25, 38.8, and 60 mass % isobutyric acid. For values of the temperature, T, which were at least 2 K in excess of the liquid-liquid phase transition temperature, the measured values of the solubility, s, lie on a straight line when plotted in van't Hoff form with ln s versus 1/T. The slope, (∂ln s/∂(1/T)), of the line is negative indicating that the dissolution reaction is endothermic. When the temperature was within 2 K of the phase transition temperature, however, (∂ln s/∂(1/T)) diverged toward negative infinity. The principle of critical point universality predicts that when excess solid nickel (II) oxide is in dissolution equilibrium with liquid isobutyric acid + water, (∂ln s/∂(1/T)) should diverge upon approaching the consolute point along the critical isopleth at 38.8 mass % isobutyric acid. As determined by the sign of the enthalpy of solution, the sign of this divergence is expected to be negative. Not only do our experiments confirm these predictions, but they also show that identical behavior can be observed at both 25 and 60 mass % isobustyric acid, compositions which lie substantially to either side of the critical composition.

  5. Chemical composition, antioxidant and antimicrobial activities of essential oil obtained from Ferula assa-foetida oleo-gum-resin: effect of collection time.

    PubMed

    Kavoosi, Gholamreza; Rowshan, Vahid

    2013-06-15

    The properties of essential oils obtained from Ferula assa-foetida oleo-gum-resins (OGRs) collectioned in three collections times in 15 June (OGR1), 30 June (OGR2) and 15 July (OGR3) 2011 was investigated. Essential oil from OGR1 was constituted high levels of (E)-1-propenyl sec-butyl disulfide (23.9%) and 10-epi-γ-eudesmol (15.1%). Essential oil from OGR2 was constituted high levels of (Z)-1-propenyl sec-butyl disulfide (27.7%) and (E)-1-propenyl sec-butyl disulfide (20.3%). Essential oil from OGR3 was constituted high levels of β-pinene (47.1%) and α-pinene (21.3%). Inhibitory concentration (IC50) for radical scavenging were 0.012-0.035, 0.025-0.047 and 0.035-0.066 mg/ml of essential oil obtained from OGR1, OGR2 and OGR3, respectively. Minimal inhibitory concentration (MIC) for Gram-positive and Gram-negative bacteria and fungi grpwth were 0.028-0.111, 0.027-0.107 and 0.018-0.058 mg/ml of essential oil obtained from OGR1, OGR2 and OGR3, respectively. Essential oils obtained from different OGRs have different composition and biological activity thus have different applications in food and health industry.

  6. Adhesion of nitrile rubber to UV-assisted surface chemical modified PET fabric, part II: Interfacial characterization of MDI grafted PET

    NASA Astrophysics Data System (ADS)

    Razavizadeh, Mahmoud; Jamshidi, Masoud

    2016-08-01

    Fiber to rubber adhesion is an important subject in rubber industry. It is well known that surface treatment (i.e. physical, mechanical and chemical) is an effective method to improve interfacial bonding of fibers and/or fabrics to rubbers. UV irradiation is an effective method which has been used to increase fabric-rubber interfacial interactions. In this research UV assisted chemical modification of PET fabrics was used to increase PET to nitrile rubber (NBR) adhesion. Nitrile rubber is a perfect selection as fuel and oil resistant rubber. However it has weak bonding to PET fabric. For this purpose PET fabric was carboxylated under UV irradiation and then methylenediphenyl diisocyanate (MDI) was grafted on carboxylated PET. The chemical composition of the fabric before and after surface treatment was investigated by X-ray photoelectron spectroscopy (XPS). The sectional morphology of the experimental PET fibers and the interface between rubber compound and PET fabric was studied using scanning electron microscope (SEM). The morphology and structure of the product were analyzed by an energy dispersive X-ray spectrometer (EDX). FTIR-ATR and H NMR analysis were used to assess surface modifications on the PET irradiated fabrics.

  7. Benefits and risks of fish consumption Part II. RIBEPEIX, a computer program to optimize the balance between the intake of omega-3 fatty acids and chemical contaminants.

    PubMed

    Domingo, José L; Bocio, Ana; Martí-Cid, Roser; Llobet, Juan M

    2007-02-12

    In recent years, and based on the importance of fish as a part of a healthy diet, there has been a notable promotion of fish and seafood consumption. However, a number of recent studies have shown that fish may be a potential source of exposure to chemical pollutants, some of them with well known adverse effects on human health. Recently, we determined in 14 edible marine species the concentrations of eicosapentaenoic acid (EPA) and docosohexaenoic acid (DHA), as well as those of a number of chemical contaminants: Cd, Hg, Pb, polychlorinated dibenzo-p-dioxins and furans, polychlorinated biphenyls, hexachlorobenzene, polycyclic aromatic hydrocarbons, polychlorinated naphthalenes, polybrominated diphenylethers and polychlorinated diphenylethers. To quantitative establish the intake of these pollutants (risks) versus that of EPA+DHA (benefits), we designed a simple computer program, RIBEPEIX. The concentrations of EPA, DHA, and the chemical pollutants were introduced into the program. We here present how RIBEPEIX may be used as an easy tool to optimize fish consumption: most suitable species, frequency of consumption, and size of meals. RIBEPEIX can be useful not only for professionals (cardiologists, general physicians, nutritionists, toxicologists, etc.), but also for the general population. It is available at: .

  8. The perspective effects of various seed coating substances on rice seed variety Khao Dawk Mali 105 storability II: the case study of chemical and biochemical properties.

    PubMed

    Thobunluepop, P; Pan-in, W; Pawelzik, E; Vearasilp, S

    2009-04-01

    The aim of this study was to investigate the effects of seed coating substances; chemical fungicide (CA) and biological fungicide polymers [chitosan-lignosulphonate polymer (CL) and eugenol incorporated into chitosan-lignosulphonate polymer (E+CL)] on chemical and biochemical changes of rice seeds cv. KDML 105, which have been studied during storage for 12 months. CA significantly affected the rice seed chemical properties and the associated seed deterioration. After 12 months storage, protein content decreased accompanied by declined of lipid content, increased free fatty acids and activated lipoxygenase enzyme. In the case of biological fungicide coated seeds, the antioxidative scavenging enzymes were ascorbate peroxidase and superoxide dismutase and a high antioxidant activity protected them. Moreover, the sugar content was positive correlated with seed germination and vigor. The biological coated seeds were found to maintain high sugar contents inside the seeds, which resulted high seed storability significantly. In contrast, under fungicide stress (CA), those compounds were lost that directly affected seed vigor during storage.

  9. Chemical Abundances of the Milky Way Thick Disk and Stellar Halo. II. Sodium, Iron-peak, and Neutron-capture Elements

    NASA Astrophysics Data System (ADS)

    Ishigaki, M. N.; Aoki, W.; Chiba, M.

    2013-07-01

    We present chemical abundance analyses of sodium, iron-peak, and neutron-capture elements for 97 kinematically selected thick disk, inner halo, and outer halo stars with metallicities -3.3 < [Fe/H] <-0.5. The main aim of this study is to examine chemical similarities and differences among metal-poor stars belonging to these old Galactic components as a clue to determine their early chemodynamical evolution. In our previous paper, we obtained abundances of α elements by performing a one-dimensional LTE abundance analysis based on the high-resolution (R ~ 50, 000) spectra obtained with the Subaru/HDS. In this paper, a similar analysis is performed to determine abundances of an additional 17 elements. We show that, in metallicities below [Fe/H] ~-2, the abundance ratios of many elements in the thick disk, inner halo, and outer halo subsamples are largely similar. In contrast, in higher metallicities ([Fe/H] gsim -1.5), differences in some of the abundance ratios among the three subsamples are identified. Specifically, the [Na/Fe], [Ni/Fe], [Cu/Fe], and [Zn/Fe] ratios in the inner and outer halo subsamples are found to be lower than those in the thick disk subsample. A modest abundance difference between the two halo subsamples in this metallicity range is also seen for the [Na/Fe] and [Zn/Fe] ratios. In contrast to that observed for [Mg/Fe] in our previous paper, [Eu/Fe] ratios are more enhanced in the two halo subsamples rather than in the thick disk subsample. The observed distinct chemical abundances of some elements between the thick disk and inner/outer halo subsamples with [Fe/H] >-1.5 support the hypothesis that these components formed through different mechanisms. In particular, our results favor the scenario that the inner and outer halo components formed through an assembly of multiple progenitor systems that experienced various degrees of chemical enrichments, while the thick disk formed through rapid star formation with an efficient mixing of chemical

  10. Exploring Natural Products from the Biodiversity of Pakistan for Computational Drug Discovery Studies: Collection, Optimization, Design and Development of A Chemical Database (ChemDP).

    PubMed

    Mirza, Shaher Bano; Bokhari, Habib; Fatmi, Muhammad Qaiser

    2015-01-01

    Pakistan possesses a rich and vast source of natural products (NPs). Some of these secondary metabolites have been identified as potent therapeutic agents. However, the medicinal usage of most of these compounds has not yet been fully explored. The discoveries for new scaffolds of NPs as inhibitors of certain enzymes or receptors using advanced computational drug discovery approaches are also limited due to the unavailability of accurate 3D structures of NPs. An organized database incorporating all relevant information, therefore, can facilitate to explore the medicinal importance of the metabolites from Pakistani Biodiversity. The Chemical Database of Pakistan (ChemDP; release 01) is a fully-referenced, evolving, web-based, virtual database which has been designed and developed to introduce natural products (NPs) and their derivatives from the biodiversity of Pakistan to Global scientific communities. The prime aim is to provide quality structures of compounds with relevant information for computer-aided drug discovery studies. For this purpose, over 1000 NPs have been identified from more than 400 published articles, for which 2D and 3D molecular structures have been generated with a special focus on their stereochemistry, where applicable. The PM7 semiempirical quantum chemistry method has been used to energy optimize the 3D structure of NPs. The 2D and 3D structures can be downloaded as .sdf, .mol, .sybyl, .mol2, and .pdb files - readable formats by many chemoinformatics/bioinformatics software packages. Each entry in ChemDP contains over 100 data fields representing various molecular, biological, physico-chemical and pharmacological properties, which have been properly documented in the database for end users. These pieces of information have been either manually extracted from the literatures or computationally calculated using various computational tools. Cross referencing to a major data repository i.e. ChemSpider has been made available for overlapping

  11. Guidelines for sample collecting and analytical methods used in the U.S. Geological Survey for determining chemical composition of coal

    USGS Publications Warehouse

    Swanson, Vernon Emanuel; Huffman, Claude

    1976-01-01

    This report is intended to meet the many requests for information on current U.S. Geological Survey procedures in handling coal samples. In general, the exact type and number of samples of coal and associated rock to be collected are left to the best judgment of the geologist. Samples should be of unweathered coal or rock and representative of the bed or beds sampled; it is recommended that two channel samples, separated by 10 to 100 yards (10 to 100 metres) and weighing 4 to 5 pounds ( 1.8 to 2.3 kilograms) each, be collected of each 5 feet ( 1.5 metres) of vertical section. Care must be taken to avoid any sample contamination, and to record the exact locality, thickness, and stratigraphic information for each sample. Analytical methods are described for the determination of major, minor, and trace elements in coal. Hg, As, Sb, F, Se, U, and Th are determined in the raw coal, and the following 34 elements are determined after ashing the coal: Si, Al, Ca, Mg, Na, K, Fe (total), Cl, Ti, Mn, P, S (total), Cd, Li, Cu, Zn, Pb, B, Ba, Be, Co, Cr, Ga, La, Mo, Nb, Ni, Sc, Sr, Ti, V, Y, Yb, and Zr. The methods used to determine these elements include atomic absorption spectroscopy, X-ray fluorescence spectroscopy, optical emission spectroscopy, spectrophotometry, selective-ion electrode, and neutron activation analysis. A split of representative coal samples is submitted to the U.S. Bureau of Mines for proximate, ultimate, forms of sulfur, and Btu determinations.

  12. Chemical and morphological characterization of TSP and PM2.5 by SEM-EDS, XPS and XRD collected in the metropolitan area of Monterrey, Mexico

    NASA Astrophysics Data System (ADS)

    González, Lucy T.; Rodríguez, F. E. Longoria; Sánchez-Domínguez, M.; Leyva-Porras, C.; Silva-Vidaurri, L. G.; Acuna-Askar, Karim; Kharisov, B. I.; Villarreal Chiu, J. F.; Alfaro Barbosa, J. M.

    2016-10-01

    Total suspended particles (TSP) and particles smaller than 2.5 μm (PM2.5) were collected at four sites in the metropolitan area of Monterrey (MAM) in Mexico. The samples were characterized by X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), and Scanning Electron Microscopy (SEM). In order to determine the possible sources of emissions of atmospheric particulate matter, a principal component analysis (PCA) was performed. The XRD results showed that the major crystalline compounds found in the TPS were CaCO3 and SiO2; while in the PM2.5 CaSO4 was found. The XPS analysis showed that the main elements found on the surface of the particles were C, O, Si, Ca, S, and N. The deconvolution carried out on the high-resolution spectra for C1s, S2p and N1s, showed that the aromatics, sulfates and pyrrolic-amides were the main groups contributing to the signal of these elements, respectively. The C-rich particles presented a spherical morphology, while the Ca- and Si-based particles mostly showed a prismatic shape. The PCA analysis together with the results obtained from the characterization techniques, suggested that the main contributors to the CaCO3 particles collected in the PM were most probably produced and emitted into the atmosphere by local construction industries and exploitation of rich-deposits of calcite. Meanwhile, the SiO2 found in the MAM originated from the suspension of geological material abundant in the region, and the carbon particles were mainly produced by the combustion of fossil fuels.

  13. A Collection of Chemical, Mineralogical, and Stable Isotopic Compositional Data for Green River Oil Shale from Depositional Center Cores in Colorado, Utah, and Wyoming

    USGS Publications Warehouse

    Tuttle, Michele L.W.

    2009-01-01

    For over half a century, the U.S. Geological Survey and collaborators have conducted stratigraphic and geochemical studies on the Eocene Green River Formation, which is known to contain large oil shale resources. Many of the studies were undertaken in the 1970s during the last oil shale boom. One such study analyzed the chemistry, mineralogy, and stable isotopy of the Green River Formation in the three major depositional basins: Piceance basin, Colo.; Uinta basin, Utah; and the Green River basin, Wyo. One depositional-center core from each basin was sampled and analyzed for major, minor, and trace chemistry; mineral composition and sulfide-mineral morphology; sulfur, nitrogen, and carbon forms; and stable isotopic composition (delta34S, delta15N, delta13C, and delta18O). Many of these data were published and used to support interpretative papers (see references herein). Some bulk-chemical and carbonate-isotopic data were never published and may be useful to studies that are currently exploring topics such as future oil shale development and the climate, geography, and weathering in the Eocene Epoch. These unpublished data, together with most of the U.S. Geological Survey data already published on these samples, are tabulated in this report.

  14. Theory of chemical reactions of vibronically excited H/sub 2/(B /sup 1/. sigma. /sup +//sub u/). II. Noble gas dihydrides

    SciTech Connect

    Nicolaides, C.A.; Zdetsis, A.

    1984-03-01

    The recently discovered chemically bound excited state of HeH/sub 2/ from large MRD--CI calculations can be explained in terms of the highly ionic character of the H/sub 2/B /sup 1/..sigma../sup +//sub u/ excited state at R = 4.0 a.u. and the resulting binding between it and the polarized He via electrostatic and overlap (with the diffuse ''H /sup -/'' center) effects. Based on this explanation, a theory for chemical reactions of normally nonreactive systems is proposed. These reactions may occur when one of the reacting molecules is excited vibronically to a state of maximum ionicity. The H/sub 2/B /sup 1/summation/sup +//sub u/ state presents a convenient test case. State-specific, open shell SCF calculations have been carried out for the He+H(/sub 2/, Ne+H(/sub 2/, and Ar+H(/sub 2/ systems. The results for He+H(/sub 2/ agree with the MRD--CI calculations and demonstrate that electron correlation is reasonably constant over the potential energy surface. NeH(/sub 2/ and ArH(/sub 2/ molecules are predicted for the first time to bind chemically in an excited /sup 1/A' state at geometries similar to HeH(/sub 2/ and close to a crossing with the unbound ground state into which they can decay radiatively or via nonadiabatic coupling. Our results suggest that, in accordance with the previous observations by Fink et al. (J. Chem. Phys. 56, 900 (1972)) of quenching of fluorescence of the H/sub 2/B /sup 1/..sigma../sup +//sub u/..-->..X /sup 1/..sigma../sup +//sub g/ transition in a He+H(/sub 2/ system, quenching should be observed in Ne+H(/sub 2/ and Ar+H(/sub 2/ systems, but this time for higher vibrational numbers.

  15. Chemical Analysis of a "Miller-Type" Complex Prebiotic Broth : Part II: Gas, Oil, Water and the Oil/Water-Interface.

    PubMed

    Scherer, Sabrina; Wollrab, Eva; Codutti, Luca; Carlomagno, Teresa; da Costa, Stefan Gomes; Volkmer, Andreas; Bronja, Amela; Schmitz, Oliver J; Ott, Albrecht

    2016-11-28

    We have analyzed the chemical variety obtained by Miller-Urey-type experiments using nuclear magnetic resonance (NMR) spectroscopy and coherent anti-Stokes Raman scattering (CARS) spectroscopy, gas chromatography followed by mass spectrometry (GC/MS) and two-dimensional gas chromatography followed by mass spectrometry (GCxGC/MS). In the course of a running Miller-Urey-type experiment, a hydrophobic organic layer emerged besides the hydrophilic aqueous phase and the gaseous phase that were initially present. The gas phase mainly consisted of aromatic compounds and molecules containing C≡C or C≡N triple bonds. The hydrophilic phase contained at least a few thousands of different molecules, primarily distributed in a range of 50 and 500 Da. The hydrophobic phase is characterized by carbon-rich, oil-like compounds and their amphiphilic derivatives containing oxygen with tensioactive properties. The presence of a wide range of oxidized molecules hints to the availability of oxygen radicals. We suggest that they intervene in the formation of alkylated polyethylene glycol (PEG) in the oil/water interface. CARS spectroscopy revealed distinct vibrational molecular signatures. In particular, characteristic spectral bands for cyanide compounds were observed if the broth was prepared with electric discharges in the gaseous phase. The characteristic spectral bands were absent if discharges were released onto the water surface. NMR spectroscopy on the same set of samples independently confirmed the observation. In addition, NMR spectroscopy revealed overall high chemical variability that suggests strong non-linearities due to interdependent, sequential reaction steps.

  16. Theoretical study of fabrication of line-and-space patterns with 7 nm quarter-pitch using electron beam lithography with chemically amplified resist processes: II. Stochastic effects

    NASA Astrophysics Data System (ADS)

    Kozawa, Takahiro

    2015-09-01

    Electron beam (EB) lithography is a core technology for nanofabrication. Owing to the increasing demand for high-resolution semiconductor lithography, the requirements for the resist processes of EB lithography for the photomasks used in ArF immersion and extreme ultraviolet lithographies and the mold fabrication of nanoimprints have also become stricter. In this study, the feasibility of single nano patterning by EB lithography with a chemically amplified resist process was investigated from the viewpoint of stochastic effects. The latent images of line-and-space patterns with a 7 nm quarter-pitch (7 nm space width and 21 nm line width) were calculated using a Monte Carlo method on the basis of the sensitization and reaction mechanisms of chemically amplified EB resists. Compared with the line-and-space pattern with a 7 nm half-pitch, line edge roughness (LER) and the stochastic pinching generation are considered to be significantly improved by increasing the pitch. It was found that the suppression of the stochastic generation of bridges is the critical issue in 7 nm quarter-pitch fabrication.

  17. Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications II. Users Manual and Program Description. 2; Users Manual and Program Description

    NASA Technical Reports Server (NTRS)

    McBride, Bonnie J.; Gordon, Sanford

    1996-01-01

    This users manual is the second part of a two-part report describing the NASA Lewis CEA (Chemical Equilibrium with Applications) program. The program obtains chemical equilibrium compositions of complex mixtures with applications to several types of problems. The topics presented in this manual are: (1) details for preparing input data sets; (2) a description of output tables for various types of problems; (3) the overall modular organization of the program with information on how to make modifications; (4) a description of the function of each subroutine; (5) error messages and their significance; and (6) a number of examples that illustrate various types of problems handled by CEA and that cover many of the options available in both input and output. Seven appendixes give information on the thermodynamic and thermal transport data used in CEA; some information on common variables used in or generated by the equilibrium module; and output tables for 14 example problems. The CEA program was written in ANSI standard FORTRAN 77. CEA should work on any system with sufficient storage. There are about 6300 lines in the source code, which uses about 225 kilobytes of memory. The compiled program takes about 975 kilobytes.

  18. Chemical Analysis of a "Miller-Type" Complex Prebiotic Broth - Part II: Gas, Oil, Water and the Oil/Water-Interface

    NASA Astrophysics Data System (ADS)

    Scherer, Sabrina; Wollrab, Eva; Codutti, Luca; Carlomagno, Teresa; da Costa, Stefan Gomes; Volkmer, Andreas; Bronja, Amela; Schmitz, Oliver J.; Ott, Albrecht

    2016-11-01

    We have analyzed the chemical variety obtained by Miller-Urey-type experiments using nuclear magnetic resonance (NMR) spectroscopy and coherent anti-Stokes Raman scattering (CARS) spectroscopy, gas chromatography followed by mass spectrometry (GC/MS) and two-dimensional gas chromatography followed by mass spectrometry (GCxGC/MS). In the course of a running Miller-Urey-type experiment, a hydrophobic organic layer emerged besides the hydrophilic aqueous phase and the gaseous phase that were initially present. The gas phase mainly consisted of aromatic compounds and molecules containing C≡C or C≡N triple bonds. The hydrophilic phase contained at least a few thousands of different molecules, primarily distributed in a range of 50 and 500 Da. The hydrophobic phase is characterized by carbon-rich, oil-like compounds and their amphiphilic derivatives containing oxygen with tensioactive properties. The presence of a wide range of oxidized molecules hints to the availability of oxygen radicals. We suggest that they intervene in the formation of alkylated polyethylene glycol (PEG) in the oil/water interface. CARS spectroscopy revealed distinct vibrational molecular signatures. In particular, characteristic spectral bands for cyanide compounds were observed if the broth was prepared with electric discharges in the gaseous phase. The characteristic spectral bands were absent if discharges were released onto the water surface. NMR spectroscopy on the same set of samples independently confirmed the observation. In addition, NMR spectroscopy revealed overall high chemical variability that suggests strong non-linearities due to interdependent, sequential reaction steps.

  19. Trace metals in PM10 and PM 2.5 samples collected in a highly industrialized chemical/petrochemical area and its urbanized surroundings.

    PubMed

    dos Anjos Paulino, Silvia; Oliveira, Rafael Lopes; Loyola, Josiane; Minho, Alan Silva; Arbilla, Graciela; Quiterio, Simone Lorena; Escaleira, Viviane

    2014-05-01

    The aim of this study was to determine the potential impact of a highly industrialized area on its urbanized surroundings. The area studied is home to a refinery, a thermoelectric plant and several petrochemical facilities industries. The concentrations of twelve elements were determined in PM10 and PM2.5 samples collected along a busy highway and near the petrochemical complex. Significantly higher concentrations of Ca, Mg, Mn, Fe, Cu and Al were observed in the petrochemical zone, but principal component analysis revealed similar patterns for both the highway site and a site approximately 1.5 km from the petrochemical complex, suggesting that the main pollution source in the area is vehicular flux. Higher concentrations in the industrial area may be attributed to intense diesel-powered truck and bus traffic movement, mainly due to the transport of supplies, fuel and gas. The observed concentrations of the elements Cr, Co, Ni, Cd and Pb were always lower than the detection limits of the technique used.

  20. Application of a high surface area solid-phase microextraction air sampling device: collection and analysis of chemical warfare agent surrogate and degradation compounds.

    PubMed

    Stevens, Michael E; Tipple, Christopher A; Smith, Philip A; Cho, David S; Mustacich, Robert V; Eckenrode, Brian A

    2013-09-17

    This work examines a recently improved, dynamic air sampling technique, high surface area solid-phase microextraction (HSA-SPME), developed for time-critical, high-volume sampling and analysis scenarios. The previously reported HSA-SPME sampling device, which provides 10-fold greater surface area compared to commercially available SPME fibers, allowed for an increased analyte uptake per unit time relative to exhaustive sampling through a standard sorbent tube. This sampling device has been improved with the addition of a type-K thermocouple and a custom heater control circuit for direct heating, providing precise (relative standard deviation ∼1%) temperature control of the desorption process for trapped analytes. Power requirements for the HSA-SPME desorption process were 30-fold lower than those for conventional sorbent-bed-based desorption devices, an important quality for a device that could be used for field analysis. Comparisons of the HSA-SPME device when using fixed sampling times for the chemical warfare agent (CWA) surrogate compound, diisopropyl methylphosphonate (DIMP), demonstrated that the HSA-SPME device yielded a greater chromatographic response (up to 50%) relative to a sorbent-bed method. Another HSA-SPME air sampling approach, in which two devices are joined in tandem, was also evaluated for very rapid, low-level, and representative analysis when using discrete sampling times for the compounds of interest. The results indicated that subparts per billion by volume concentration levels of DIMP were detectable with short sampling times (∼15 s). Finally, the tandem HSA-SPME device was employed for the headspace sampling of a CWA degradation compound, 2-(diisopropylaminoethyl) ethyl sulfide, present on cloth material, which demonstrated the capability to detect trace amounts of a CWA degradation product that is estimated to be less volatile than sarin. The rapid and highly sensitive detection features of this device may be beneficial in decision

  1. Chemical trends in background air quality and the ionic composition of precipitation for the period 1980-2004 from samples collected at Valentia Observatory, Co. Kerry, Ireland.

    PubMed

    Bashir, Wasim; McGovern, Frank; O'Brien, Phillip; Ryan, Margaret; Burke, Liam; Paull, Brett

    2008-06-01

    A major Irish study, based upon more than 8000 samples collected over the measurement period of 22 years, for sulfur dioxide (SO2-S), sulfate (SO4-S) and nitrogen dioxide (NO2-N) concentrations (microg m(-3)) within air, and the ionic composition of precipitation samples based on sodium (Na+), potassium (K+), magnesium (Mg2+), calcium (Ca2+), chloride (Cl-), sulfate (SO4-S), non-sea salt sulfate (nssSO4-S), ammonium (NH4-N), and nitrate (NO3-N) weighted mean concentrations (mg l(-1)), has been completed. For the air samples, the sulfur dioxide and sulfate concentrations decreased over the sampling period (1980-2004) by 75% and 45%, respectively, whereas no significant trend was observed for nitrogen dioxide. The highest concentrations for sulfur dioxide, sulfate and nitrogen dioxide were associated with wind originating from the easterly and northeasterly directions i.e. those influenced by Irish and European sources. The lowest concentrations were associated with the westerly directions i.e. for air masses originating in the North Atlantic region. This was further verified with the use of backward (back) trajectory analysis, which allowed tracing the movement of air parcels using the European Centre for Medium range Weather Forecasting (ECMWF) ERA-40 re-analysis data. High non-sea salt sulfate levels were being associated with air masses originating from Europe (easterlies) with lower levels from the Atlantic (westerlies). With the precipitation data, analysis of the non-sea salt sulfate concentrations showed a decrease by 47% since the measurements commenced.

  2. Interactions of Zn(II) Ions with Humic Acids Isolated from Various Type of Soils. Effect of pH, Zn Concentrations and Humic Acids Chemical Properties

    PubMed Central

    Boguta, Patrycja; Sokołowska, Zofia

    2016-01-01

    The main aim of this study was the analysis of the interaction between humic acids (HAs) from different soils and Zn(II) ions at wide concentration ranges and at two different pHs, 5 and 7, by using fluorescence and FTIR spectroscopy, as well as potentiometric measurements. The presence of a few areas of HAs structures responsible for Zn(II) complexing was revealed. Complexation at α-sites (low humified structures of low-molecular weight and aromatic polycondensation) and β-sites (weakly humified structures) was stronger at pH 7 than 5. This trend was not observed for γ-sites (structures with linearly-condensed aromatic rings, unsaturated bonds and large molecular weight). The amount of metal complexed at pH5 and 7 by α and γ-structures increased with a decrease in humification and aromaticity of HAs, contrary to β-areas where complexation increased with increasing content of carboxylic groups. The stability of complexes was higher at pH 7 and was the highest for γ-structures. At pH 5, stability decreased with C/N increase for α-areas and -COOH content increase for β-sites; stability increased with humification decrease for γ-structures. The stability of complexes at α and β-areas at pH 7 decreased with a drop in HAs humification. FTIR spectra at pH 5 revealed that the most-humified HAs tended to cause bidentate bridging coordination, while in the case of the least-humified HAs, Zn caused bidentate bridging coordination at low Zn additions and bidentate chelation at the highest Zn concentrations. Low Zn doses at pH 7 caused formation of unidentate complexes while higher Zn doses caused bidentate bridging. Such processes were noticed for HAs characterized by high oxidation degree and high oxygen functional group content; where these were low, HAs displayed bidentate bridging or even bidentate chelation. To summarize, the above studies have showed significant impact of Zn concentration, pH and some properties of HAs on complexation reactions of humic

  3. Interactions of Zn(II) Ions with Humic Acids Isolated from Various Type of Soils. Effect of pH, Zn Concentrations and Humic Acids Chemical Properties.

    PubMed

    Boguta, Patrycja; Sokołowska, Zofia

    2016-01-01

    The main aim of this study was the analysis of the interaction between humic acids (HAs) from different soils and Zn(II) ions at wide concentration ranges and at two different pHs, 5 and 7, by using fluorescence and FTIR spectroscopy, as well as potentiometric measurements. The presence of a few areas of HAs structures responsible for Zn(II) complexing was revealed. Complexation at α-sites (low humified structures of low-molecular weight and aromatic polycondensation) and β-sites (weakly humified structures) was stronger at pH 7 than 5. This trend was not observed for γ-sites (structures with linearly-condensed aromatic rings, unsaturated bonds and large molecular weight). The amount of metal complexed at pH5 and 7 by α and γ-structures increased with a decrease in humification and aromaticity of HAs, contrary to β-areas where complexation increased with increasing content of carboxylic groups. The stability of complexes was higher at pH 7 and was the highest for γ-structures. At pH 5, stability decreased with C/N increase for α-areas and -COOH content increase for β-sites; stability increased with humification decrease for γ-structures. The stability of complexes at α and β-areas at pH 7 decreased with a drop in HAs humification. FTIR spectra at pH 5 revealed that the most-humified HAs tended to cause bidentate bridging coordination, while in the case of the least-humified HAs, Zn caused bidentate bridging coordination at low Zn additions and bidentate chelation at the highest Zn concentrations. Low Zn doses at pH 7 caused formation of unidentate complexes while higher Zn doses caused bidentate bridging. Such processes were noticed for HAs characterized by high oxidation degree and high oxygen functional group content; where these were low, HAs displayed bidentate bridging or even bidentate chelation. To summarize, the above studies have showed significant impact of Zn concentration, pH and some properties of HAs on complexation reactions of humic

  4. Herschel Observations of Extraordinary Sources: Analysi sof the HIFI 1.2 THz Wide Spectral Survey toward Orion KL II. Chemical Implications

    NASA Astrophysics Data System (ADS)

    Crockett, N. R.; Bergin, E. A.; Neill, J. L.; Favre, C.; Blake, G. A.; Herbst, E.; Anderson, D. E.; Hassel, G. E.

    2015-06-01

    We present chemical implications arising from spectral models fit to the Herschel/HIFI spectral survey toward the Orion Kleinmann-Low nebula (Orion KL). We focus our discussion on the eight complex organics detected within the HIFI survey utilizing a novel technique to identify those molecules emitting in the hottest gas. In particular, we find the complex nitrogen bearing species CH3CN, C2H3CN, C2H5CN, and NH2CHO systematically trace hotter gas than the oxygen bearing organics CH3OH, C2H5OH, CH3OCH3, and CH3OCHO, which do not contain nitrogen. If these complex species form predominantly on grain surfaces, this may indicate N-bearing organics are more difficult to remove from grain surfaces than O-bearing species. Another possibility is that hot (Tkin ∼ 300 K) gas phase chemistry naturally produces higher complex cyanide abundances while suppressing the formation of O-bearing complex organics. We compare our derived rotation temperatures and molecular abundances to chemical models, which include gas-phase and grain surface pathways. Abundances for a majority of the detected complex organics can be reproduced over timescales ≳105 years, with several species being underpredicted by less than 3σ. Derived rotation temperatures for most organics, furthermore, agree reasonably well with the predicted temperatures at peak abundance. We also find that sulfur bearing molecules that also contain oxygen (i.e., SO, SO2, and OCS) tend to probe the hottest gas toward Orion KL, indicating the formation pathways for these species are most efficient at high temperatures. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  5. Collection Mapping.

    ERIC Educational Resources Information Center

    Harbour, Denise

    2002-01-01

    Explains collection mapping for library media collections. Discusses purposes for creating collection maps, including helping with selection and weeding decisions, showing how the collection supports the curriculum, and making budget decisions; and methods of data collection, including evaluating a collaboratively taught unit with the classroom…

  6. Spectroscopy and quantum-chemical calculations of nitro-bis-bipyridyl complexes of ruthenium(II) with 4-substituted pyridine ligands

    NASA Astrophysics Data System (ADS)

    Reshetova, K. I.; Krauklis, I. V.; Litke, S. V.; Ershov, A. Yu.; Chizhov, Yu. V.

    2016-04-01

    The luminescence, absorption, and luminescence excitation spectra of complexes cis-[Ru(bpy)2(L)(NO2)]+ [bpy = 2,2'-bipyridyl, L = pyridine, 4-aminopyridine, 4-dimethylaminopyridine, 4-picoline, isonicotinamide, or 4,4'-bipyridyl] in alcoholic (4 : 1 EtOH-MeOH) solutions are studied at 77 K. A linear correlation is established between the energy of the lowest electronically excited metal-toligand charge transfer state d π(Ru) → π*(bpy) of the complexes and the pKa parameter of the free 4-substituted pyridines used as ligands L. The B3LYP/[6-31G(d)+LanL2DZ(Ru)] hybrid density functional method is used to optimize the geometry of complexes and calculate their electronic structure and the charge distribution on the atoms of the nearest environment of ruthenium(II) ions. It is shown that there exists a mutually unambiguous correspondence between the charge on the nitrogen atom of ligands L coordinated in the complex and the pK a parameter of ligands. The calculated energies of the electronically excited metal-to-ligand charge transfer states of complexes linearly (correlation coefficient 0.99) depend on the charge on the nitrogen atom of ligands L, which completely agrees with the experimental data.

  7. Construction of collagen II/hyaluronate/chondroitin-6-sulfate tri-copolymer scaffold for nucleus pulposus tissue engineering and preliminary analysis of its physico-chemical properties and biocompatibility.

    PubMed

    Li, Chang-Qing; Huang, Bo; Luo, Gang; Zhang, Chuan-Zhi; Zhuang, Ying; Zhou, Yue

    2010-02-01

    To construct a novel scaffold for nucleus pulposus (NP) tissue engineering, The porous type II collagen (CII)/hyaluronate (HyA)-chondroitin-6-sulfate (6-CS) scaffold was prepared using 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) and N-hydroxysuccinimide (NHS) cross-linking system. The physico-chemical properties and biocompatibility of CII/HyA-CS scaffolds were evaluated. The results suggested CII/HyA-CS scaffolds have a highly porous structure (porosity: 94.8 +/- 1.5%), high water-binding capacity (79.2 +/- 2.8%) and significantly improved mechanical stability by EDC/NHS crosslinking (denaturation temperature: 74.6 +/- 1.8 and 58.1 +/- 2.6 degrees C, respectively, for the crosslinked scaffolds and the non-crosslinked; collagenase degradation rate: 39.5 +/- 3.4 and 63.5 +/- 2.0%, respectively, for the crosslinked scaffolds and the non-crosslinked). The CII/HyA-CS scaffolds also showed satisfactory cytocompatibility and histocompatibility as well as low immunogenicity. These results indicate CII/HyA-CS scaffolds may be an alternative material for NP tissue engineering due to the similarity of its composition and physico-chemical properties to those of the extracellular matrices (ECM) of native NP.

  8. Microbiological and chemical quality of ground water used as a source of public supply in southern Missouri : Phase II, April-July, 1998

    USGS Publications Warehouse

    Femmer, Suzanne R.

    2000-01-01

    The protection of public health through quality public ground-water systems is the responsibility of the U. S. Environmental Protection Agency and the State of Missouri, through the Missouri Department of Natural Resources, Public Drinking Water Program. Approximately 95 percent of the public-water supplies in Missouri use ground water as their source of drinking water through more than 3,700 public wells. Karst terrain, intensive agricultural operations, extensive numbers of on-site sewage systems, and poor well construction can lead to chemical and microbiological contamination of the contributing aquifers. Sitespecific studies and routine regulatory monitoring have produced information on the overall quality and potability of the State's public-drinking-water supplies, but little is known about the presence of viruses. The U.S. Geological Survey, in cooperation with the Missouri Department of Natural Resources, sampled 109 public-water supplies to characterize the physical, chemical, bacterial, and viral conditions in southern Missouri. During April to July 1998, these wells were sampled for nutrients, total organic carbon, optical brighteners, indicator bacteria, enteric viruses, and ribonucleic acid and somatic coli phages. These constituents indicate possible surface contamination of the sampled aquifer. Selection of the wells to be sampled depended on the age of the well (pre-1970), land use, geohydrology, and well construction. None of the physical or chemical constituents measured or analyzed exceeded Missouri's Drinking Water Standards set by the Public Drinking Water Program of the Missouri Department of Natural Resources. The majority of ammonia plus organic nitrogen, nitrite, and phosphorus concentrations were below the laboratory's minimum reporting levels. There were a greater number of detects above the minimum reporting level with respect to the nitrite plus nitrate, ammonia, orthophosphate, and total organic carbon concentrations. Analyses

  9. Synthesis, chemical characterization and crystal structure of the (oxalato-O,O')bis(1,10-phenanthroline)copper(II) pentahydrate

    NASA Astrophysics Data System (ADS)

    Castillo, O.; Luque, A.; Román, P.

    2001-08-01

    Violet single-crystals of the complex [Cu(ox)(phen) 2]·5H 2O ( 1), where ox 2- is oxalate and phen is 1,10-phenanthroline, were obtained by slow evaporation of a solution previously prepared by dissolving Cu(ox)·1/3H 2O in a water-acetonitrile solution of phenantroline. Its crystal structure consists of neutral mononuclear [Cu(ox)(phen) 2] units and crystallization water molecules which are held together by face-to-face stacking interactions between the phenantroline aromatic rings and an extensive three-dimensional network of O w-H⋯O/O w hydrogen bonds. The copper atom is hexaco-ordinated to two oxygen atoms of a bidentate oxalato ligand and to four nitrogen atoms belonging to two phen ligands in a distorted octahedral cis arrangement. The e.p.r. Q-band spectrum of 1 shows an axial-type signal with g-tensor values of g∥=2.28 and g⊥=2.06, which is consistent with the axially elongated octahedral geometry of the copper(II) chromophore found in the structural work. The relation g∥≫ g⊥>2.0 indicates a d( x2- y2) ground state. Variable temperature susceptibility measurements (5-300 K) reveals the occurrence of magnetically isolated paramagnetic centers in the crystal structure. Thermal degradation of the compound 1 under synthetic air atmosphere starts between 50 and 110°C with an endothermic process attributable to the release of the crystallization water molecules.

  10. Integrated Paramagnetic Resonance of High-Spin Co(II) in Axial Symmetry: Chemical Separation of Dipolar and Contact Electron-Nuclear Couplings

    PubMed Central

    Myers, William K.; Duesler, Eileen N.; Tierney, David L.

    2015-01-01

    Integrated paramagnetic resonance, utilizing EPR, NMR and ENDOR, of a series of cobalt bis-trispyrazolylborates, Co(Tpx)2, are reported. Systematic substitutions at the ring carbons and on the apical boron provide a unique opportunity to separate through-bond and through-space contributions to the NMR hyperfine shifts for the parent, unsubstituted Tp complex. A simple relationship between the chemical shift difference (δH − δMe) and the contact shift of the proton in that position is developed. This approach allows independent extraction of the isotropic hyperfine coupling, Aiso, for each proton in the molecule. The Co··H contact coupling energies derived from the NMR, together with the known metrics of the compounds, were used to predict the ENDOR couplings at gζ. Proton ENDOR data is presented that shows good agreement with the NMR-derived model. ENDOR signals from all other magnetic nuclei in the complex (14N, coordinating and non-coordinating, 11B and 13C) are also reported. PMID:18605690

  11. Seasonal variations in the chemical composition of particulate matter: a case study in the Po Valley. Part II: concentration and solubility of micro- and trace-elements.

    PubMed

    Canepari, S; Astolfi, M L; Farao, C; Maretto, M; Frasca, D; Marcoccia, M; Perrino, C

    2014-03-01

    Size distribution (fine and coarse fraction) and solubility distribution (extracted and residual fraction) of 20 elements (As, Ba, Be, Cd, Co, Cu, Fe, Li, Mn, Pb, Ni, Rb, S, Sb, Se, Sn, Sr, Ti, Tl, V) in atmospheric particulate matter (PM) were determined during a 5-year field study carried out in the Po Valley (peri-urban area of Ferrara, in Northern Italy). By studying the contribution of the two size fractions and the two solubility fractions to the atmospheric concentration of each element, it was possible to obtain interesting information about the variability of PM sources, to assess the role played by atmospheric stability in determining pollution episodes, and to obtain an estimate of the bio-accessible fraction. Atmospheric stability is confirmed to be one of the main causes of atmospheric pollution in this area and is to be responsible for the pronounced winter increase in both PM and elemental concentration. Long-range transport of natural and polluted air masses caused temporary increases in PM and elemental concentration, while local industrial emission seemed to play a secondary role. Regulated elements were well below their concentration limit, but many toxic elements were in the form of fine particles and soluble chemical species, more accessible to the environment, and the human body.

  12. The Hobby-Eberly Telescope Chemical Abundances of Stars in the Halo CASH Project II. The Li-, r- and s-Enhanced Metal-Poor Giant ligiant

    NASA Astrophysics Data System (ADS)

    Frebel, A.; Roederer, I. U.; Shetrone, M.; Allende Prieto, C.; Rhee, J.; Gallino, R.; Bisterzo, S.; Sneden, C.; Beers, T. C.; Cowan, J. J.

    2008-08-01

    We present the first detailed abundance analysis of the metal-poor giant ligiant. This star was observed as part of the University of Texas Long-Term Chemical Abundances of Stars in the Halo (CASH) Project. We find that this metal-poor ([Fe/H] =-2.2) star has an unusually high lithium abundance (log ɛ (Li)= +2.1), mild carbon ([C/Fe] =+0.7) and sodium ([Na/Fe] =+0.6) enhancement, as well as enhancement of both spro ([Ba/Fe] =+0.8) and rpro ([Eu/Fe] =+0.5) material. The high Li abundance can be explained by self-enrichment through extra mixing mechanisms. If so, ligiant is the most metal-poor star in which this short-lived phase of Li enrichment has been observed. The r- and spro material was not produced in this star but was either present in the gas from which ligiant formed or was transferred to it from a more massive binary companion. Despite the current non-detection of radial velocity variations (over a time span of ˜180 days), it is possible that ligiant is in a long-period binary system, similar to other stars with both r and s enrichment.

  13. A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations.

    PubMed

    Labet, Vanessa; Hoffmann, Roald; Ashcroft, N W

    2012-02-21

    In order to explain the intricate dance of intramolecular (intra-proton-pair) H-H separations observed in a numerical laboratory of calculationally preferred static hydrogen structures under pressure, we examine two effects through discrete molecular models. The first effect, we call it physical, is of simple confinement. We review a salient model already in the literature, that of LeSar and Herschbach, of a hydrogen molecule in a spheroidal cavity. As a complement, we also study a hydrogen molecule confined along a line between two helium atoms. As the size of the cavity/confining distance decreases (a surrogate for increasing pressure), in both models the equilibrium proton separation decreases and the force constant of the stretching vibration increases. The second effect, which is an orbital or chemical factor, emerges from the electronic structure of the known molecular transition metal complexes of dihydrogen. In these the H-H bond is significantly elongated (and the vibron much decreased in frequency) as a result of depopulation of the σ(g) bonding molecular orbital of H(2), and population of the antibonding σ(u)∗ MO. The general phenomenon, long known in chemistry, is analyzed through a specific molecular model of three hydrogen molecules interacting in a ring, a motif found in some candidate structures for dense hydrogen.

  14. Sensory effects of capsaicin congeners. Part II: Importance of chemical structure and pungency in desensitizing activity of capsaicin-type compounds.

    PubMed

    Szolcsányi, J; Jancsó-Gábor, A

    1976-01-01

    The characteristic insensitivity of sensory nerve endings to chemically induced pain brought about by capsaicin could be reproduced on the rat's eye by pungent vanillylamides, homovanilloyl-alkylamides and piperine, while homovanilloyl-cycloalkylamides, -azacycloalkylamides, - alkylesters, -alkyl-homovanillylamides, undecenoyl-3-aminopropranololand zingerone were practically ineffective in this respect. Desensitizing potency was not parallel with the stimulating effect of the compounds, e.g. the strongly pungent homovanilloyl-octylester failed to desensitize the receptors, while the less pungent homovanilloyl-dodecylamide proved to be a more potent desensitizing agent than capsaicin itself. It is concluded that the inverse position of the acylamide linkage does not modify, while its replacement by an esteric group completely abolishes the desensitizing activity. In contrast to the stimulating effect, in desensitizing action the presence of an alkyl chain is essential and its optimal length corresponds to 10-12 C atoms. On the basis of these results the possible molecular interactions at the site of action are discussed.

  15. Radiation Chemical Effects in the Near Field of a Final Disposal Site - II: Simulation of the Radiolytic Processes in Concentrated NaCl Solutions

    SciTech Connect

    Kelm, M.; Bohnert, E.

    2000-01-15

    The radiation chemical reactions in gamma-irradiated 2 to 5.3 mol/l NaCl solutions were mathematically modeled by elementary reactions proceeding in parallel. The calculations showed that if all radiolytic gases could escape from the solution, only three final compounds would be formed proportional to the dose and independent from the dose rate: H{sub 2}, O{sub 2}, and chlorate. All other products and intermediates reached a steady-state concentration after {approx}1 kGy. Within certain limits, the yields of final radiolytic products were determined solely by the primary G values of H{sub 2} and H{sub 2}O{sub 2}. The results of the corresponding irradiation experiments carried out in glass ampoules up to {approx}1 MGy were in good agreement with the calculations. The simulation of the radiolysis under the condition that all gaseous products remain dissolved in the solution showed a nearly constant formation rate for hydrogen and oxygen. As opposed to this, the experiments conducted in autoclaves resulted in nearly steady-state conditions for the gases at some 100 kGy at a pressure of {approx}35 bars. For chlorate, the experiments and the calculation gave a constant concentration of a few micromoles per litre in 5.3 mol/l NaCl solution. A better correspondence between experiments and the simulation was achieved for the gases when the reaction model was extended for interaction of corrosion products from the autoclaves.

  16. Self assembling monolayers of dialkynyl bridged Pd(II) thiols obtained by thermally induced multilayer desorption: Thermal and chemical stability investigated by SR-XPS

    NASA Astrophysics Data System (ADS)

    Battocchio, C.; Fratoddi, I.; Bondino, F.; Malvestuto, M.; Russo, M. V.; Polzonetti, G.

    2012-02-01

    Self assembling monolayers (SAMs) of organometallic thiols trans-[HS-Pd(PBu3)2-SH], trans-[HS-Pd(PBu3)2(-Ctbnd C-C6H5)] and trans,trans-[HS-Pd(PBu3)2(-Ctbnd C-C6H4-C6H4-Ctbnd C-Pd(PBu3)2-SH] on gold were obtained from the corresponding multilayers through thermally induced desorption. Temperature-dependent synchrotron radiation-induced X-ray photoelectron spectroscopy (SR-XPS) measurements were carried out on the heated multilayers during the annealing process, in order to investigate the thermal and chemical stability of the systems. SAMs of the same organometallic thiols were also obtained by rinsing the thick films with appropriate solvents. SR-XPS was used to ascertain that the molecular and electronic structure of the two series of SAMs are not influenced by the rinsing or thermal desorption process, i.e. both strategies allow for obtaining well ordered monolayers of organometallic thiols.

  17. The Hobby-Eberly Telescope "Chemical Abundances Of Stars In The Halo" (CASH) Project. I. The Lithium-, r-, and s-enhanced Metal-poor Giant HK-II 17435-00532

    NASA Astrophysics Data System (ADS)

    Roederer, Ian U.; Frebel, A.; Shetrone, M.; Allende Prieto, C.; Rhee, J.; Gallino, R.; Bisterzo, S.; Sneden, C.; Beers, T. C.; Cowan, J. J.

    2007-12-01

    We present the first detailed abundance analysis of the metal-poor giant HK-II 17435-00532. This star was observed as part of the University of Texas Long-Term "Chemical Abundances of Stars in the Halo" (CASH) Project. A spectrum was obtained with the High Resolution Spectrograph (HRS) on the Hobby-Eberly Telescope with a resolving power of R 15,000. Our analysis reveals that this star may be located on the red giant branch, red horizontal branch, or early asymptotic giant branch. We find that this metal-poor ([Fe/H]=-2.2) star has an unusually high lithium abundance (log ɛ (Li)=+2.1), mild carbon ([C/Fe]=+0.7) and sodium ([Na/Fe]=+0.6) enhancement, as well as enhancement of both s-process ([Ba/Fe]=+0.8) and r-process ([Eu/Fe]=+0.5) material. The high Li abundance can be explained by self-enrichment through extra mixing mechanisms that connect the convective envelope with the outer regions of the H-burning shell. If so, HK-II 17435-00532 is the most metal-poor star in which this short-lived phase of Li enrichment has been observed. The r- and s-process material was not produced in this star but was either present in the gas from which HK-II 17435-00532 formed or was transferred to it from a more massive binary companion. Despite the current non-detection of radial velocity variations (over a time span of 180 days), it is possible that HK-II 17435-00532 is in a long-period binary system, similar to other stars with both r and s enrichment. We acknowledge support from the W.J. McDonald Fellowship of McDonald Observatory (to A.F), NASA's AAS Small Research Grant Program and the GALEX GI grant 05-GALEX05-27 (to J.R.), the Italian MIUR-PRIN06 Project "Late phases of Stellar Evolution: Nucleosynthesis in Supernovae, AGB Stars, Planetary Nebulae" (to R.G.), and the U.S. National Science Foundation (grants AST06-07708 to C.S., AST04-06784, AST07-07776 and PHY02-15783 to T.C.B., and AST 07-07447 to J.J.C.).

  18. I. Synthesis of group 13 fluoroalkoxide complexes and the chemical vapor deposition of indium oxide films. II. Synthesis of gallium hydrido-thiolate complexes

    NASA Astrophysics Data System (ADS)

    Miinea, Liliana Angela

    A synthetic route to indium fluoroalkoxide complexes was developed and fluorine-doped indium oxide films were prepared from one of the new complexes by chemical vapor deposition. The reaction of indium amide complexes with fluorinated alcohols was found to be a convenient synthetic route to indium fluoroalkoxide complexes. In[N-t-Bu(SiMe3)]3 reacted with (CF3)Me2COH to give the dimer [In{mu-OCMe 2(CF3)}{OCMe2(CF3)}2] 2. In contrast, reactions involving the more acidic alcohols (CF 3)2MeCOH and (CF3)2CHOH yielded products containing t-BuNH2, which was derived from the amide ligands of the starting material. Reactions of (CF3) 2MeCOH and (CF3)2CHOH with In(tmp)3 (tmp = the anion derived from 2,2,6,6-tetramethylpiperidine) and In(NEt 2)3 gave In[OCH(CF3)2]3(Htmp), [H2tmp][In{OCR(CF3)2}4] (R = H or Me), and mer-In[OCMe(CF3)2]3(py) 3. Polycrystalline indium oxide films were deposited at 400-550°C in a low-pressure chemical vapor deposition process from In[OCMe(CF3 )2]3(H2N-t-Bu) and O2 precursors. The films deposited at ≤500°C contained 2-3 atom % fluorine while the film deposited at 550°C had no detectable fluorine incorporation. Films deposited on quartz (˜3600-A thickness) showed >85% transmittance in the 400-800 nm region, and resistivities of 2.56 x 10 -1-2.02 x 10-2 O cm were measured for the as-deposited films. The observed transmittance is in the range reported previously for doped and undoped In2O3, while the resistivity values are higher than those reported for tin, fluorine or sulfur-doped indium oxide. The work on the synthesis of indium fluoroalkoxide complexes prompted an examination of the synthesis of related aluminum and gallium fluoroalkoxide complexes. Aluminum and gallium fluoroalkoxide complexes of formula M(ORf) 3(HNMe2) [M = Al, Rf = CH(CF3)2, CMe 2(CF3) or CMe(CF3)2; M = Ga, Rf = CMe 2(CF3) or CMe(CF3)2] were prepared by reacting the corresponding metal dimethylamide complexes with fluorinated alcohols. An attempt was made to prepare

  19. THE EFFICACY OF THREE MEDICINAL PLANTS; GARLIC, GINGER AND MIRAZID AND A CHEMICAL DRUG METRONIDAZOLE AGAINST CRYPTOSPORIDIUM PARVUM: II-HISTOLOGICAL CHANGES.

    PubMed

    Abouel-Nour, Mohamed F; El-Shewehy, Dina Magdy M; Hamada, Shadia F; Morsy, Tosson A

    2016-04-01

    Cryptosporidiosis parvum is a zoonotic protozoan parasite infects intestinal epithelial cells of man and animals causing a major health problem. This study was oriented to evaluate the protective and curative capacity of garlic, ginger and mirazid in comparison with metronidazole drug (commercially known) against Cryptosporidium in experimental mice. Male Swiss Albino mice experimentally infected with C. parvum were treated with medicinal plants extracts (Ginger, Mirazid, and Garlic) as compared to chemical drug Metronidazole. Importantly, C. parvum-infected mice treated with ginger, Mirazid, garlic and metronidazole showed a complete elimination in shedding oocysts by 9th day PI. The reduction and elimination of shedding oocysts in response to the treatments might be attributable to a direct effect on parasite growth in intestines, sexual phases production and/or the formation of oocysts. The results were evaluated histopathological examination of ideum section of control mice (uninfected, untreated) displayed normal architecture of the villi. Examiination of infected mice ileum section (infected, untreated) displayed histopathological alterations from uninfected groups. Examination of ileum section prepared from mice treated with garlic, ginger, mirazid, and metronidazole displayed histopathological alterations from that of the control groups, and showed marked histologic correction in the pattern with the four regimes used in comparison to control mice. Garlic successfully eradicated oocysts of infected mice from stool and intestine. Supplementation of ginger to infected mice markedly corrected elevation in the inflammatory risk factors and implied its potential antioxidant, anti-inflammatory and immunomodulatory capabilities. Infected mice treated with ginger, mirazid, garlic and metronidazole showed significant symptomatic improvements during treatment.

  20. Physical and chemical properties of the regional mixed layer of Mexico's Megapolis – Part II: Evaluation of measured and modeled trace gases and particle size distributions

    SciTech Connect

    Ochoa, Carlos; Baumgardner, Darrel; Grutter, M.; Allan, James D.; Fast, Jerome D.; Rappengluck, B.

    2012-10-31

    This study extends the work of Baumgardner et al. (2009) in which measurements of trace gases and particles at a remote, high-altitude mountain site 60 km from Mexico City were analyzed with respect to the origin of air masses. In the current evaluation, the temperature, water vapor, ozone (O3), carbon monoxide (CO), acyl peroxy nitrate (APN) and particle size distributions (PSDs) of the mass concentrations of sulfate, nitrate, ammonium and organic mass (OM) were simulated with the WRF-Chem chemical transport model and compared with the measurements at the mountain site. The model prediction of the diurnal trends of the gases were well correlated with the measurements before the regional boundary layer reached the measurement site but underestimated the concentrations after that time. The differences are caused by an overly rapid growth of the boundary layer by the model with too much dilution. There also appears to be more O3 produced by photochemical production, downwind of the emission sources, than predicted by the model. The measured and modeled PSDs compare very well with respect to their general shape and diameter of the peak concentrations. The spectra are log normally distributed with most of the mass in the accumulation mode and the geometric diameter centered at 200 ±20 nm, with little observed or predicted change with respect to the origin of the air mass or the time when the RBL is above the Altzomoni research. Only the total mass changed with time and air mass origin. The invariability of the average diameter of the accumulation mode suggests that there is very little growth of the particles by condensation or coagulation after six hours of aging downwind of the major sources of anthropogenic emissions in Mexico’s Megapolis.

  1. Multielement chemical and statistical analyses from a uranium hydrogeochemical and stream-sediment survey in and near the Elkhorn Mountains, Jefferson County, Montana; Part II, Stream sediments

    USGS Publications Warehouse

    Suits, V.J.; Wenrich, K.J.

    1982-01-01

    Fifty-two stream-sediment samples, collected from an area south of Helena, Jefferson County, Montana, were sieved into two size fractions (50 ppm for the fine fraction) were encountered in samples from the Warm Springs Creek drainage area, along Prickly Pear Creek near Welmer and Golconda Creeks and along Muskrat Creek. All groups showed a significant correlation at the 99 percent confidence level (r between 0.73 and 0.77) between U and Th. Uranium was found to correlate significantly only with Th (as mentioned above) and with -Ni in the fine fraction of the volcanics group. U correlates significantly with -Al2O3, Ba, organic C, -K2O, -Sr and Y in both size fractions for the Boulder batholith. Correlations between U and each of several elements differ for the fine and coarse fractions of the Boulder batholith group, suggesting that the U distribution in these stream sediments is in large part controlled by grain size. Correlations were found between U and CaO, Cr, Fe203, -Na2O, Sc, -SiO2, TiO2, Yb and Zr in the coarse fraction but not in the fine fraction. U correlates weakly (to the 90% confidence level, crc<.37) with -Co and -Cu in the fine but not the coarse fraction. These results are compared to a previous study in the northern Absaroka mountains. Correlation coefficients between all other elements determined from these samples are also shown in Tables 12 to 15.

  2. Characterization of Cerro Negro crude. Part II. Chemical analysis. [Project sponsored by Bartlesville Energy Technology Center and Institute de Tecnologico del Venezolana Petroleo

    SciTech Connect

    Sturm, G.P. Jr.; Grindstaff, Q.G.; Hirsch, D.E.; Scheppele, S.E.; Hazos, M.

    1981-09-01

    The cooperative research program is explained in Part I. An evaluation is presented of the resolution attained in the separation of a 425 to 550/sup 0/C petroleum distillate fraction according to compound classes using 2 chromatographic methods. Samples were separated by high performance liquid chromatography using 2 columns in series containing 2,4-dinitroanalinopropyl silica and silica, respectively. Initial elution was attained using 1% methylene chloride in pentane followed by a linear gradient up to 30% methylene chloride. In the 2nd method, developed in the American Petroleum Institute's Research Project 60, fractions designated as saturates, monoaromatics, diaromatics, and polyaromatics were collected froma dual silica/alumina column using step gradient elution with pentane, 5% benzene in pentane, 15% benzene in pentane, and 20% ethyl ether, 20% benzene, 60% methanol, followed by pure methanol. The results wil be used to evaluate the quality of the separation in terms of the success in producing fractions containing similar compound classes. 1 figure, 4 tables.

  3. Anti-proliferative activity and chemical characterization by comprehensive two-dimensional liquid chromatography coupled to mass spectrometry of phlorotannins from the brown macroalga Sargassum muticum collected on North-Atlantic coasts.

    PubMed

    Montero, Lidia; Sánchez-Camargo, Andrea P; García-Cañas, Virginia; Tanniou, Anaëlle; Stiger-Pouvreau, Valérie; Russo, Mariateresa; Rastrelli, Luca; Cifuentes, Alejandro; Herrero, Miguel; Ibáñez, Elena

    2016-01-08

    In the present work, the phlorotannin composition of different Sargassum muticum samples collected at different locations along the North Atlantic coasts as well as the bioactivities related to these components were investigated. After pressurized liquid extraction, the samples collected at the extreme locations of a latitudinal gradient from Portugal and Norway, were found to be the richest on total phenols and, particularly, on phlorotannins, containing up to 148.97 and 5.12mg phloroglucinol equivalents g(-1), respectively. The extracts obtained from these locations were further purified and chemically characterized using a modified HILIC×RP-DAD-MS/MS method. The application of this methodology allowed the tentative identification of a great variability of phlorotannins with different degrees of polymerization (from 3 to 11) and structures, determined for the first time in S. muticum. The most-abundant phlorotannins on these samples were fuhalols, hydroxyfuhalols and phlorethols, showing also particularities and important differences depending on the geographical location. Afterwards, the antiproliferative activity of these extracts against HT-29 adenocarcinoma colon cancer cells was studied. Results revealed that the richest S. muticum samples in terms of total phlorotannins, i.e., those from Norway, presented the highest activity, showing a good cytotoxic potential at concentrations in the medium micromolar range.

  4. Study of Chemical Surface Structure of Natural Sorbents Used for Removing of Pb2+ Ions from Model Aqueous Solutions (part Ii)

    NASA Astrophysics Data System (ADS)

    Bożęcka, Agnieszka; Bożęcki, Piotr; Sanak-Rydlewska, Stanisława

    2014-03-01

    This article presents the results of the chemical structure research of organic sorbent surface such as walnut shells, plums stones and sunflower hulls with using such methods as infrared spectrometry (FTIR) and elemental analysis. Based on the IR spectra identification of functional groups present on the surface of studied materials has been done as well as determination of their effect on the sorption mechanism of Pb2+ ions from aqueous model solutions W artykule przedstawiono wyniki badań chemicznej struktury powierzchni sorbentów organicznych takich jak: łupiny orzecha włoskiego, pestki śliwek oraz łuski słonecznika z wykorzystaniem metody spektrometrii w podczerwieni (FTIR) oraz analizy elementarnej. W oparciu o uzyskane widma IR dokonano identyfikacji grup funkcyjnych obecnych na powierzchni tych materiałów i określono ich wpływ na mechanizm sorpcji jonów Pb2+ z modelowych roztworów wodnych. Analiza elementarna wykazała, że spośród badanych sorbentów, największą zawartość węgla (49,91%) i wodoru (5,93%) mają pestki śliwek. Najwięcej azotu (1,59%) zawierają łuszczyny słonecznika (tabela 1). Zawartość siarki we wszystkich badanych materiałach jest znikoma, dlatego nie udało się jej oznaczyć tą metodą. Obecność pozostałych pierwiastków może świadczyć o istnieniu zarówno alifatycznych jak i aromatycznych połączeń organicznych. Potwierdzeniem tego są również zarejestrowane widma IR (rysunki 1-3). W oparciu o uzyskane wyniki można przypuszczać także, iż udział procesu wymiany jonowej w sorpcji ołowiu z roztworów wodnych jest znaczący. Świadczą o tym m.in. intensywności pasm na widmach IR dla próbek badanych materiałów po ich kontakcie z roztworami jonów Pb2+ (rysunki 4-6).

  5. Chemical Principles Exemplified

    ERIC Educational Resources Information Center

    Plumb, Robert C.

    1972-01-01

    Collection of two short descriptions of chemical principles seen in life situations: the autocatalytic reaction seen in the bombardier beetle, and molecular potential energy used for quick roasting of beef. Brief reference is also made to methanol lighters. (PS)

  6. An overview of Southeast Florida Outfall Experiment II

    SciTech Connect

    Fergen, R.E.; Bloetscher, F.

    1999-07-01

    The Southeast Florida Ocean Outfall Experiment II (SEFLOE II, 1991--1994) project is the result of a cooperative effort of several government agencies and the Hazen and Sawyer, P.C. The project was designed to satisfy biomonitoring concerns and provide site specific information to allow the USEPA Regional Administrator to evaluate if four open ocean outfalls located off the Southeast Florida coast were contributing to unreasonable degradation of the local marine environment. During the field studies of the project, tremendous efforts were made to collect physical, chemical, and biological data. These data were analyzed to characterize outfall plumes and associated environmental conditions. This overview provides a summary to the SEFLOE II project.

  7. 75 FR 8996 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-26

    ... Directorates and current NASA missions in Earth and Space Science, mathematics, chemistry, and physics. II... SPACE ADMINISTRATION Notice of Information Collection AGENCY: National Aeronautics and Space Administration (NASA). ACTION: Notice of information collection. SUMMARY: The National Aeronautics and...

  8. Capacitive chemical sensor

    DOEpatents

    Manginell, Ronald P; Moorman, Matthew W; Wheeler, David R

    2014-05-27

    A microfabricated capacitive chemical sensor can be used as an autonomous chemical sensor or as an analyte-sensitive chemical preconcentrator in a larger microanalytical system. The capacitive chemical sensor detects changes in sensing film dielectric properties, such as the dielectric constant, conductivity, or dimensionality. These changes result from the interaction of a target analyte with the sensing film. This capability provides a low-power, self-heating chemical sensor suitable for remote and unattended sensing applications. The capacitive chemical sensor also enables a smart, analyte-sensitive chemical preconcentrator. After sorption of the sample by the sensing film, the film can be rapidly heated to release the sample for further analysis. Therefore, the capacitive chemical sensor can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

  9. Photobilirubin II.

    PubMed Central

    Bonnett, R; Buckley, D G; Hamzetash, D; Hawkes, G E; Ioannou, S; Stoll, M S

    1984-01-01

    An improved preparation of photobilirubin II in ammoniacal methanol is described. Evidence is presented which distinguishes between the two structures proposed earlier for photobilirubin II in favour of the cycloheptadienyl structure. Nuclear-Overhauser-enhancement measurements with bilirubin IX alpha and photobilirubin II in dimethyl sulphoxide are complicated by the occurrence of negative and zero effects. The partition coefficient of photobilirubin II between chloroform and phosphate buffer (pH 7.4) is 0.67. PMID:6743241

  10. Collecting apparatus

    DOEpatents

    Duncan, Charles P.

    1983-01-01

    An improved collecting apparatus for small aquatic or airborne organisms such as plankton, larval fish, insects, etc. The improvement constitutes an apertured removal container within which is retained a collecting bag, and which is secured at the apex of a conical collecting net. Such collectors are towed behind a vessel or vehicle with the open end of the conical net facing forward for trapping the aquatic or airborne organisms within the collecting bag, while allowing the water or air to pass through the apertures in the container. The container is readily removable from the collecting net whereby the collecting bag can be quickly removed and replaced for further sample collection. The collecting bag is provided with means for preventing the bag from being pulled into the container by the water or air flowing therethrough.

  11. Chemical Emergencies

    MedlinePlus

    When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

  12. Collections Conservation.

    ERIC Educational Resources Information Center

    DeCandido, Robert

    Collections conservation is an approach to the preservation treatment of books and book-like materials that is conceptualized and organized in terms of large groups of materials. This guide is intended to enable a library to evaluate its current collections conservation activities. The introduction describes collections conservation and gives…

  13. Identifying and Quantifying Chemical Forms of Sediment-Bound Ferrous Iron.

    NASA Astrophysics Data System (ADS)

    Kohler, M.; Kent, D. B.; Bekins, B. A.; Cozzarelli, I.; Ng, G. H. C.

    2015-12-01

    Aqueous Fe(II) produced by dissimilatory iron reduction comprises only a small fraction of total biogenic Fe(II) within an aquifer. Most biogenic Fe(II) is bound to sediments on ion exchange sites; as surface complexes and, possibly, surface precipitates; or incorporated into solid phases (e.g., siderite, magnetite). Different chemical forms of sediment-bound Fe(II) have different reactivities (e.g., with dissolved oxygen) and their formation or destruction by sorption/desorption and precipitation/dissolution is coupled to different solutes (e.g., major cations, H+, carbonate). We are quantifying chemical forms of sediment-bound Fe(II) using previously published extractions, novel extractions, and experimental studies (e.g., Fe isotopic exchange). Sediments are from Bemidji, Minnesota, where biodegradation of hydrocarbons from a burst oil pipeline has driven extensive dissimilatory Fe(III) reduction, and sites potentially impacted by unconventional oil and gas development. Generally, minimal Fe(II) was mobilized from ion exchange sites (batch desorption with MgCl2 and repeated desorption with NH4Cl). A < 2mm sediment fraction from the iron-reducing zone at Bemidji had 1.8umol/g Fe(II) as surface complexes or carbonate phases (sodium acetate at pH 5) of which ca. 13% was present as surface complexes (FerroZine extractions). Total bioavailable Fe(III) and biogenic Fe(II) (HCl extractions) was 40-50 umole/g on both background and iron-reducing zone sediments . Approximately half of the HCl-extractable Fe from Fe-reducing zone sediments was Fe(II) whereas 12 - 15% of Fe extracted from background sediments was present as Fe(II). One-third to one-half of the total biogenic Fe(II) extracted from sediments collected from a Montana prairie pothole located downgradient from a produced-water disposal pit was present as surface-complexed Fe(II).

  14. OXALATE MASS BALANCE DURING CHEMICAL CLEANING IN TANK 6F

    SciTech Connect

    Poirier, M.; Fink, S.

    2011-07-22

    The Savannah River Remediation (SRR) is preparing Tank 6F for closure. The first step in preparing the tank for closure is mechanical sludge removal. Following mechanical sludge removal, SRS performed chemical cleaning with oxalic acid to remove the sludge heel. Personnel are currently assessing the effectiveness of the chemical cleaning to determine whether the tank is ready for closure. SRR personnel collected liquid samples during chemical cleaning and submitted them to Savannah River National Laboratory (SRNL) for analysis. Following chemical cleaning, they collected a solid sample (also known as 'process sample') and submitted it to SRNL for analysis. The authors analyzed these samples to assess the effectiveness of the chemical cleaning process. Analysis of the anions showed the measured oxalate removed from Tank 6F to be approximately 50% of the amount added in the oxalic acid. To close the oxalate mass balance, the author collected solid samples, leached them with nitric acid, and measured the concentration of cations and anions in the leachate. Some conclusions from this work are: (1) Approximately 65% of the oxalate added as oxalic acid was removed with the decanted liquid. (2) Approximately 1% of the oxalate (added to the tank as oxalic acid) formed precipitates with compounds such as nickel, manganese, sodium, and iron (II), and was dissolved with nitric acid. (3) As much as 30% of the oxalate may have decomposed forming carbon dioxide. The balance does not fully account for all the oxalate added. The offset represents the combined uncertainty in the analyses and sampling.

  15. Collection Mapping and Collection Development.

    ERIC Educational Resources Information Center

    Murray, William; And Others

    1985-01-01

    Describes the use of collection mapping to assess media collections of Aurora, Colorado, Public Schools. Case studies of elementary, middle, and high school media centers describe materials selection and weeding and identify philosophies that library collections should support school curriculum, and teacher-library media specialist cooperation in…

  16. Cold acid elution (ELU Kit II).

    PubMed

    Hinrichs, Monica; Keith, Monica A

    2014-01-01

    Elution is a procedure for recovery of antibody attached to intact,immunoglobulin-coated red blood cells (RBCs) by disrupting the antigen-antibody bonds. The recovered antibody is collected in an inert diluent and is referred to as an eluate. Testing of an eluate may be desired to identify antibody(ies) coating the RBCs of patients with a positive direct antiglobulin test. Many types of elution procedures have been developed and described; however,·an acid elution is suitable for antibody recovery in most cases, such as recovery of alloantibodies and warm-reactive autoantibodies.Studies have compared methods such as xylene, chloroform, digitnin acid, dichloromethane, citric acid, and Immucor Elu-KitII (cold acid elution). The ELU-Kit II has been shown to be quick and effective at eluting a wide range of alloantibodies as well as autoantibodies without the use of hazardous chemicals or costly reagent preparation time that some methods use. It is for these reasons that the ELU-Kit II is a very popular method for the elution of immunoglobulin G (IgG) antibodies.

  17. Spectroscopic study of low pressure, low temperature H2-CH4-CO2 microwave plasmas used for large area deposition of nanocrystalline diamond films. Part II: on plasma chemical processes

    NASA Astrophysics Data System (ADS)

    Nave, A. S. C.; Baudrillart, B.; Hamann, S.; Bénédic, F.; Lombardi, G.; Gicquel, A.; van Helden, J. H.; Röpcke, J.

    2016-12-01

    In a distributed antenna array (DAA) reactor, microwave H2 plasmas with admixtures of 2.5% CH4 and 1% CO2 used for the deposition of nanocrystalline diamond films have been studied by infrared laser absorption and optical emission spectroscopy (OES) techniques. The experiments were carried out in order to analyze the dependence of plasma chemical phenomena on power and pressure at relatively low pressures, up to 0.55 mbar, and power values, up to 3 kW. The evolution of the concentration of the methyl radical, CH3, of five stable molecules, CH4, CO2, CO, C2H2 and C2H6, and of vibrationally excited CO in the first and second hot band was monitored in the plasma processes by in situ infrared laser absorption spectroscopy using tunable lead salt diode lasers (TDL) and an external-cavity quantum cascade laser (EC-QCL) as radiation sources. OES was applied simultaneously to obtain complementary information about the degree of dissociation of the H2 precursor and of its gas temperature. The experimental results are presented in two separate parts. In Part I, the first paper in a two-part series, the measurement of the gas (T gas), rotational (T rot) and vibrational (T vib) temperatures of the various species in the complex plasma was the main focus of interest. Depending on the different plasma zones the gas temperature was found to range between about 360 and 1000 K inside the DAA reactor (Nave et al 2016 Plasma Sources Sci. Technol. 25 065002). In Part II, the present paper, taking into account the temperatures determined in the first paper, the concentrations of the various species, which were found to be in a range between 1011 and 1015 cm-3, are the focus of interest. The influence of the discharge parameters power and pressure on the molecular concentrations has been studied. To achieve further insight into general plasma chemical aspects the dissociation of the carbon precursor gases including their fragmentation and conversion to the reaction products has been

  18. Collecting Rocks.

    ERIC Educational Resources Information Center

    Barker, Rachel M.

    One of a series of general interest publications on science topics, the booklet provides those interested in rock collecting with a nontechnical introduction to the subject. Following a section examining the nature and formation of igneous, sedimentary, and metamorphic rocks, the booklet gives suggestions for starting a rock collection and using…

  19. Collective Enumeration

    ERIC Educational Resources Information Center

    Bahrami, Bahador; Didino, Daniele; Frith, Chris; Butterworth, Brian; Rees, Geraint

    2013-01-01

    Many joint decisions in everyday life (e.g., Which bar is less crowded?) depend on approximate enumeration, but very little is known about the psychological characteristics of counting together. Here we systematically investigated collective approximate enumeration. Pairs of participants made individual and collective enumeration judgments in a…

  20. Jay's Collectibles

    ERIC Educational Resources Information Center

    Cappel, James J.; Gillman, Jason R., Jr.

    2011-01-01

    There is growing interest in collectibles of many types, as indicated by the popularity of television programs such as the History Channel's "Pawn Stars" and "American Pickers" and the Public Broadcasting Service's "Antiques Road Show." The availability of online auction sites such as eBay has enabled many people to collect items of interest as a…

  1. Chemical Peel

    MedlinePlus

    ... be done at different depths — light, medium or deep — depending on your desired results. Each type of ... chemical peel after 12 months to maintain results. Deep chemical peel. A deep chemical peel removes skin ...

  2. 77 FR 70471 - Agency Information Collection Activities: Proposed Collection; Comments Requested: Application...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-11-26

    ...: Application for Registration Under Domestic Chemical Diversion Control Act of 1993 and Renewal Application for Registration Under Domestic Chemical Diversion Control Act of 1993 DEA Forms 510 & 510A ACTION: 60-Day notice... Collection. (2) Title of the Form/Collection: Application for Registration under Domestic Chemical...

  3. Collective enumeration.

    PubMed

    Bahrami, Bahador; Didino, Daniele; Frith, Chris; Butterworth, Brian; Rees, Geraint

    2013-04-01

    Many joint decisions in everyday life (e.g., Which bar is less crowded?) depend on approximate enumeration, but very little is known about the psychological characteristics of counting together. Here we systematically investigated collective approximate enumeration. Pairs of participants made individual and collective enumeration judgments in a 2-alternative forced-choice task and when in disagreement, they negotiated joint decisions via verbal communication and received feedback about accuracy at the end of each trial. The results showed that two people could collectively count better than either one alone, but not as well as expected by previous models of collective sensory decision making in more basic perceptual domains (e.g., luminance contrast). Moreover, such collective enumeration benefited from prior, noninteractive practice showing that social learning of how to combine shared information about enumeration required substantial individual experience. Finally, the collective context had a positive but transient impact on an individual's enumeration sensitivity. This transient social influence may be explained as a motivational factor arising from the fact that members of a collective must take responsibility for their individual decisions and face the consequences of their judgments.

  4. Micrometeorite Collecting

    ERIC Educational Resources Information Center

    Toubes, Joe; Hoff, Darrel

    1974-01-01

    Describes how to collect micrometeorites and suggests a number of related activities such as determining the number of meteors entering the atmosphere and determining the composition of the micrometeorites. (BR)

  5. The Tox21 robotic platform for the assessment of environmental chemicals--from vision to reality.

    PubMed

    Attene-Ramos, Matias S; Miller, Nicole; Huang, Ruili; Michael, Sam; Itkin, Misha; Kavlock, Robert J; Austin, Christopher P; Shinn, Paul; Simeonov, Anton; Tice, Raymond R; Xia, Menghang

    2013-08-01

    Since its establishment in 2008, the US Tox21 inter-agency collaboration has made great progress in developing and evaluating cellular models for the evaluation of environmental chemicals as a proof of principle. Currently, the program has entered its production phase (Tox21 Phase II) focusing initially on the areas of modulation of nuclear receptors and stress response pathways. During Tox21 Phase II, the set of chemicals to be tested has been expanded to nearly 10,000 (10K) compounds and a fully automated screening platform has been implemented. The Tox21 robotic system combined with informatics efforts is capable of screening and profiling the collection of 10K environmental chemicals in triplicate in a week. In this article, we describe the Tox21 screening process, compound library preparation, data processing, and robotic system validation.

  6. 77 FR 6776 - Agency Information Collection Activities: Proposed Collection; Comment Request-National School...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-09

    ... Food and Nutrition Service Agency Information Collection Activities: Proposed Collection; Comment..., and Certification Study II (APEC-II Study) AGENCY: Food and Nutrition Service (FNS), USDA. ACTION... Carlson, Office of Research and Analysis, Food and Nutrition Service, USDA, 3101 Park Center Drive,...

  7. Photosystem II

    ScienceCinema

    James Barber

    2016-07-12

    James Barber, Ernst Chain Professor of Biochemistry at Imperial College, London, gives a BSA Distinguished Lecture titled, "The Structure and Function of Photosystem II: The Water-Splitting Enzyme of Photosynthesis."

  8. 75 FR 54189 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-03

    ... complete a registration form to get on base, photo release form and medical form. II. Method of Collection... collection of information is necessary for the proper performance of the functions of NASA, including whether... the burden (including hours and cost) of the proposed collection of information; (3) ways to...

  9. 38 CFR 14.618 - Collection action.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Collection action. 14.618... Collection action. (a) In a case where the Regional Counsel determines that damage to or loss of Government..., suspend, or terminate collection action on any such claim as is authorized under § 2.6(e)(4)(ii) of...

  10. Blood Collection

    NASA Technical Reports Server (NTRS)

    1999-01-01

    The method that is used for the collection, storage and real-time analysis of blood and other bodily fluids has been licensed to DBCD, Inc. by NASA. The result of this patent licensing agreement has been the development of a commercial product that can provide serum or plasma from whole blood volumes of 20 microliters to 4 milliliters. The device has a fibrous filter with a pore size of less than about 3 microns, and is coated with a mixture of mannitol and plasma fraction protein. The coating causes the cellular fraction to be trapped by the small pores, leaving the cellular fraction intact on the fibrous filter while the acellular fraction passes through the filter for collection in unaltered form from the serum sample collection chamber. The method used by this product is useful to NASA for blood analysis on manned space missions.

  11. Physical and chemical characteristics including total and geochemical forms of phosphorus in sediment from the top 30 centimeters of cores collected in October 2006 at 26 sites in Upper Klamath Lake, Oregon

    USGS Publications Warehouse

    Simon, Nancy S.; Ingle, Sarah N.

    2011-01-01

    μThis study of phosphorus (P) cycling in eutrophic Upper Klamath Lake (UKL), Oregon, was conducted by the U.S. Geological Survey in cooperation with the U.S. Bureau of Reclamation. Lakebed sediments from the upper 30 centimeters (cm) of cores collected from 26 sites were characterized. Cores were sampled at 0.5, 1.5, 2.5, 3.5, 4.5, 10, 15, 20, 25, and 30 cm. Prior to freezing, water content and sediment pH were determined. After being freeze-dried, all samples were separated into greater than 63-micron (μm) particle-size (coarse) and less than 63-μm particle-size (fine) fractions. In the surface samples (0.5 to 4.5 cm below the sediment water interface), approximately three-fourths of the particles were larger than 63-μm. The ratios of the coarse particle-size fraction (>63 μm) and the fine particle-size fraction (<63 μm) were approximately equal in samples at depths greater than 10 cm below the sediment water interface. Chemical analyses included both size fractions of freeze-dried samples. Chemical analyses included determination of total concentrations of aluminum (Al), calcium (Ca), carbon (C), iron (Fe), poorly crystalline Fe, nitrogen (N), P, and titanium (Ti). Total Fe concentrations were the largest in sediment from the northern portion of UKL, Howard Bay, and the southern portion of the lake. Concentrations of total Al, Ca, and Ti were largest in sediment from the northern, central, and southernmost portions of the lake and in sediment from Howard Bay. Concentrations of total C and N were largest in sediment from the embayments and in sediment from the northern arm and southern portion of the lake in the general region of Buck Island. Concentrations of total C were larger in the greater than 63-μm particle-size fraction than in the less than 63-μm particle-size fraction. Sediments were sequentially extracted to determine concentrations of inorganic forms of P, including loosely sorbed P, P associated with poorly crystalline Fe oxides, and P

  12. Mass-sensitive chemical preconcentrator

    DOEpatents

    Manginell, Ronald P.; Adkins, Douglas R.; Lewis, Patrick R.

    2007-01-30

    A microfabricated mass-sensitive chemical preconcentrator actively measures the mass of a sample on an acoustic microbalance during the collection process. The microbalance comprises a chemically sensitive interface for collecting the sample thereon and an acoustic-based physical transducer that provides an electrical output that is proportional to the mass of the collected sample. The acoustic microbalance preferably comprises a pivot plate resonator. A resistive heating element can be disposed on the chemically sensitive interface to rapidly heat and release the collected sample for further analysis. Therefore, the mass-sensitive chemical preconcentrator can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

  13. A new chelating resin for preconcentration and determination of Mn(II), Ni(II), Cu(II), Zn(II), Cd(II), and Pb(II) by flame atomic absorption spectrometry.

    PubMed

    Maheswari, Mohan A; Subramanian, Mandakolathur S

    2003-01-01

    A new polychelatogen, AXAD-16-1,2-diphenylethanolamine, was developed by chemically modifying Amberlite XAD-16 with 1,2-diphenylethanolamine to produce an effective metal-chelating functionality for the preconcentration of Mn(II), Ni(II), Cu(II), Zn(II), Cd(II), and Pb(II) and their determination by flame atomic absorption spectrometry. Various physiochemical parameters that influence the quantitative preconcentration and recovery of metal were optimized by both static and dynamic techniques. The resin showed superior extraction efficiency with high-metal loading capacity values of 0.73, 0.80, 0.77, 0.87, 0.74, and 0.81 mmol/g for Mn(II), Ni(II), Cu(II), Zn(II), Cd(II), and Pb(II), respectively. The system also showed rapid metal-ion extraction and stripping, with complete saturation in the sorbent phase within 15 min for all the metal ions. The optimum condition for effective metal-ion extraction was found to be a neutral pH, which is a great advantage in the preconcentration of trace metal ions from natural water samples without any chemical pretreatment of the sample. The resin also demonstrated exclusive ion selectivity toward targeted metal ions by showing greater resistivity to various complexing species and more common metal ions during analyte concentration, which ultimately led to high preconcentration factors of 700 for Cu(II); 600 for Mn(II), Ni(II), and Zn(II); and 500 for Cd(II) and Pb(II), arising from a larger sample breakthrough volume. The lower limits of metal-ion detection were 7 ng/mL for Mn(II) and Ni(II); 5 ng/mL for Cu(II), Zn(II), and Cd(II), and 10 ng/mL for Pb(II). The developed resin was successful in preconcentrating metal ions from synthetic and real water samples, multivitamin-multimineral tablets, and curry leaves (Murraya koenigii) with relative standard deviations of < or = 3.0% for all analytical measurements, which demonstrated its practical utility.

  14. Tortuous path chemical preconcentrator

    DOEpatents

    Manginell, Ronald P.; Lewis, Patrick R.; Adkins, Douglas R.; Wheeler, David R.; Simonson, Robert J.

    2010-09-21

    A non-planar, tortuous path chemical preconcentrator has a high internal surface area having a heatable sorptive coating that can be used to selectively collect and concentrate one or more chemical species of interest from a fluid stream that can be rapidly released as a concentrated plug into an analytical or microanalytical chain for separation and detection. The non-planar chemical preconcentrator comprises a sorptive support structure having a tortuous flow path. The tortuosity provides repeated twists, turns, and bends to the flow, thereby increasing the interfacial contact between sample fluid stream and the sorptive material. The tortuous path also provides more opportunities for desorption and readsorption of volatile species. Further, the thermal efficiency of the tortuous path chemical preconcentrator is comparable or superior to the prior non-planar chemical preconcentrator. Finally, the tortuosity can be varied in different directions to optimize flow rates during the adsorption and desorption phases of operation of the preconcentrator.

  15. Wastewater Collection.

    ERIC Educational Resources Information Center

    Chatterjee, Samar; And Others

    1978-01-01

    Presents a literature review of wastewater collection systems and components. This review covers: (1) planning, (2) construction; (3) sewer system evaluation; (4) maintenance; (5) rehabilitation; (6) overview prevention; and (7) wastewater pumping. A list of 111 references is also presented. (HM)

  16. Collecting Artifacts

    ERIC Educational Resources Information Center

    Coffey, Natalie

    2004-01-01

    Fresh out of college, the author had only a handful of items worthy of displaying, which included some fossils she had collected in her paleontology class. She had binders filled with great science information, but kids want to see "real" science, not paper science. Then it came to her: she could fill the shelves with science artifacts with the…

  17. Diet History Questionnaire II & Canadian Diet History Questionnaire II: Web-based DHQ

    Cancer.gov

    The Web-based versions of DHQ II and C-DHQ II are identical in content to the paper forms. By automating the DHQ II and providing versions on the Web for public use, researchers have another tool to collect and analyze food frequency questionnaire data.

  18. Waste tank vapor project: Vapor characterization of Tank 241-C-103: Data report for OVS samples collected from Sample Job 7b, Parts I and II, received 5/18/94 and 5/24/94

    SciTech Connect

    Clauss, T.R.; Edwards, J.A.; Fruchter, J.S.

    1994-09-01

    On 5/18/94, Westinghouse Hanford Company (WHC) delivered samples to Pacific Northwest Laboratory (PNL) that were collected from waste Tank 241-C-103 on 5/16/94. These samples were from Sample Job (SJ) 7b, Part 1. On 5/24/94, WHC delivered samples to PNL that were collected from waste Tank 241-C-103 on 5/18/94. These samples were from SJ7b, Part 2. A summary of data derived from the sampling of waste Tank 241-C-103 for gravimetric (H{sub 2}O) and normal paraffin hydrocarbon (NPH) concentrations are shown for SJ7b. Gravimetric analysis was performed on the samples within 24 hours of receipt by PNL. The NPH concentration of 10 samples collected for Part 1 was slightly higher than the average concentration for 15 samples collected in Part 2, 812 ({+-} 133) mg/m{sup 3} and 659 ({+-} 88) mg/m{sup 3}, respectively. The higher concentrations measured in Part 1 samples may be because the samples in Part 1 were collected at a single level, 0.79 meters above the air-liquid interface. Part 2 samples were collected at three different tank levels, 0.79, 2.92, and 5.05 m above the air-liquid interface. In Part 2, the average NPH concentrations for 5 samples collected at each of three levels was similar: 697 (60) mg/m{sup 3} at the low level, 631 (51) mg/m{sup 3} at the mid level, and 651 (134) mg/m{sup 3} at the high level. It is important to note that the measured tridecane to dodecane concentration remained constant in all samples collected in Parts 1 and 2. That ratio is 1.2 {+-} 0.05. This consistent ratio indicates that there were no random analytical biases towards either compound.

  19. 15 CFR 745.1 - Advance notification and annual report of all exports of Schedule 1 chemicals to other States...

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... information: (i) Common Chemical Name; (ii) Structural formula of the chemical; (iii) Chemical Abstract...) Common Chemical Name; (ii) Structural formula of the chemical; (iii) CAS Registry Number; (iv) Quantity... of all exports of Schedule 1 chemicals to other States Parties. 745.1 Section 745.1 Commerce...

  20. 15 CFR 745.1 - Advance notification and annual report of all exports of Schedule 1 chemicals to other States...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... information: (i) Common Chemical Name; (ii) Structural formula of the chemical; (iii) Chemical Abstract...) Common Chemical Name; (ii) Structural formula of the chemical; (iii) CAS Registry Number; (iv) Quantity... of all exports of Schedule 1 chemicals to other States Parties. 745.1 Section 745.1 Commerce...

  1. Amazonian functional diversity from forest canopy chemical assembly.

    PubMed

    Asner, Gregory P; Martin, Roberta E; Tupayachi, Raul; Anderson, Christopher B; Sinca, Felipe; Carranza-Jiménez, Loreli; Martinez, Paola

    2014-04-15

    Patterns of tropical forest functional diversity express processes of ecological assembly at multiple geographic scales and aid in predicting ecological responses to environmental change. Tree canopy chemistry underpins forest functional diversity, but the interactive role of phylogeny and environment in determining the chemical traits of tropical trees is poorly known. Collecting and analyzing foliage in 2,420 canopy tree species across 19 forests in the western Amazon, we discovered (i) systematic, community-scale shifts in average canopy chemical traits along gradients of elevation and soil fertility; (ii) strong phylogenetic partitioning of structural and defense chemicals within communities independent of variation in environmental conditions; and (iii) strong environmental control on foliar phosphorus and calcium, the two rock-derived elements limiting CO2 uptake in tropical forests. These findings indicate that the chemical diversity of western Amazonian forests occurs in a regionally nested mosaic driven by long-term chemical trait adjustment of communities to large-scale environmental filters, particularly soils and climate, and is supported by phylogenetic divergence of traits essential to foliar survival under varying environmental conditions. Geographically nested patterns of forest canopy chemical traits will play a role in determining the response and functional rearrangement of western Amazonian ecosystems to changing land use and climate.

  2. Collective instabilities

    SciTech Connect

    K.Y. Ng

    2003-08-25

    The lecture covers mainly Sections 2.VIII and 3.VII of the book ''Accelerator Physics'' by S.Y. Lee, plus mode-coupling instabilities and chromaticity-driven head-tail instability. Besides giving more detailed derivation of many equations, simple interpretations of many collective instabilities are included with the intention that the phenomena can be understood more easily without going into too much mathematics. The notations of Lee's book as well as the e{sup jwt} convention are followed.

  3. 75 FR 5811 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-04

    ... participating teachers, students, and partners in order to help meet the Program's goal of improving student achievement in mathematics and science. II. Method of Collection The GLOBE Partner survey is Web-based...

  4. 75 FR 41247 - Proposed Collection; Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-15

    ... susceptible to price manipulation; and (ii) the market on which the security futures product trades has in... collection techniques or other forms of information technology. Consideration will be given to comments...

  5. 78 FR 26406 - Proposed Collection; Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-06

    ... susceptible to price manipulation; and (ii) the market on which the security futures product trades has in..., including through the use of automated collection techniques or other forms of information...

  6. 75 FR 34487 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-17

    ... general themes on areas to focus on in order to enhance creativity and innovation at the Center. II. Method of Collection Electronic. III. Data Title: The KEYS Creativity and Innovation Survey. OMB...

  7. Collective Electrodynamics

    NASA Astrophysics Data System (ADS)

    Mead, Carver A.

    2002-08-01

    In this book Carver Mead offers a radically new approach to the standard problems of electromagnetic theory. Motivated by the belief that the goal of scientific research should be the simplification and unification of knowledge, he describes a new way of doing electrodynamics--collective electrodynamics--that does not rely on Maxwell's equations, but rather uses the quantum nature of matter as its sole basis. Collective electrodynamics is a way of looking at how electrons interact, based on experiments that tell us about the electrons directly. (As Mead points out, Maxwell had no access to these experiments.) The results Mead derives for standard electromagnetic problems are identical to those found in any text. Collective electrodynamics reveals, however, that quantities that we usually think of as being very different are, in fact, the same--that electromagnetic phenomena are simple and direct manifestations of quantum phenomena. Mead views his approach as a first step toward reformulating quantum concepts in a clear and comprehensible manner. The book is divided into five sections: magnetic interaction of steady currents, propagating waves, electromagnetic energy, radiation in free space, and electromagnetic interaction of atoms. In an engaging preface, Mead tells how his approach to electromagnetic theory was inspired by his interaction with Richard Feynman. Carver A. Mead is the Gordon and Betty Moore Professor of Engineering and Applied Science, Emeritus, at the California Institute of Technology. He won the 1999 Lemelson-MIT Prize for Invention and Innovation.

  8. Chemical sensor

    NASA Technical Reports Server (NTRS)

    Rauh, R. David (Inventor)

    1990-01-01

    A sensor for detecting a chemical substance includes an insertion element having a structure which enables insertion of the chemical substance with a resulting change in the bulk electrical characteristics of the insertion element under conditions sufficient to permit effective insertion; the change in the bulk electrical characteristics of the insertion element is detected as an indication of the presence of the chemical substance.

  9. 78 FR 9429 - Agency Information Collection Activities; Proposed Collection; Comments Requested: Application...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-02-08

    ...: Application for Procurement Quota for Controlled Substances and Ephedrine, Pseudoephedrine, and... Quota for Controlled Substances and Ephedrine, Pseudoephedrine, and Phenylpropanolamine (DEA Form 250... II or the List I chemicals ephedrine, pseudoephedrine, and phenylpropanolamine for purposes...

  10. 77 FR 71832 - Agency Information Collection Activities: Proposed Collection; Comments Requested: Application...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-04

    ...: Application for Procurement Quota for Controlled Substances and Ephedrine, Pseudoephedrine, and... Quota for Controlled Substances and Ephedrine, Pseudoephedrine, and Phenylpropanolamine (DEA Form 250... substances listed in Schedule I or II or the List I chemicals ephedrine, pseudoephedrine,...

  11. Three Compact, Robust Chemical Characterization Systems Suited To Sensitive, High Time Resolution Measurements Of Atmospheric Aerosols

    NASA Astrophysics Data System (ADS)

    Barrie, L. A.; Cowin, J. P.; Worsnop, D. R.

    2001-12-01

    In the past decade, the advancement of compact, robust and sensitive instrumentation to measure the chemical characteristics of atmospheric aerosols has lagged behind their physical characterization. There is a need for chemical instrumentation with these three qualities for use on airborne platforms and at infrequently attended ground level surveillance sites. Now chemical techniques are appearing that promise to fill this need. We discuss three chemical characterization systems that are emerging in atmospheric chemistry and climate research applications. These are: (i) the Aerodyne mass spectrometer for real time measurement of particle composition and two post-collection analysis techniques (ii) non-destructive, multi-elemental chemical analysis of size-resolved samples by high spatial resolution synchrotron x-ray and proton beams (S-XRF/PIXE/PESA/STIM) (iii) single particle characterization by automated scanning electron microscopy with energy-dispersed detection of X-rays (SEM/EDX). The key to post-collection analysis is automated aerosol sizing and collection systems and automated chemical analysis systems. Together these techniques provide unique, comprehensive information on the organic and inorganic composition and morphology of particles and yet are easy to deploy in the field. The sensitivity of each technique is high enough to permit the rapid sampling needed to resolve spatial gradients in composition from a moving platform like the Battelle Gulfstream-159 aircraft, traveling at 100m/s.

  12. FAQs II

    ERIC Educational Resources Information Center

    Kezar, Adrianna; Frank, Vikki; Lester, Jaime; Yang, Hannah

    2008-01-01

    In their paper entitled "Why should postsecondary institutions consider partnering to offer (Individual Development Accounts (IDAs)?" the authors reviewed frequently asked questions they encountered from higher education professionals about IDAs, but as their research continued so did the questions. FAQ II has more in-depth questions and…

  13. SAGE II

    Atmospheric Science Data Center

    2016-02-16

    ... of stratospheric aerosols, ozone, nitrogen dioxide, water vapor and cloud occurrence by mapping vertical profiles and calculating ... (i.e. MLS and SAGE III versus HALOE) Fixed various bugs Details are in the  SAGE II V7.00 Release Notes .   ...

  14. 78 FR 6349 - Agency Information Collection Activities; Proposed Collection; Comments Requested: Annual...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-30

    ...: Annual Reporting Requirement for Manufacturers of Listed Chemicals ACTION: 30-Day notice. The Department... approved collection. (2) Title of the Form/Collection: Annual Reporting Requirement for Manufacturers of... collection: It is estimated that there are 100 annual burden hours associated with this collection....

  15. I. Cognitive and instructional factors relating to students' development of personal models of chemical systems in the general chemistry laboratory II. Solvation in supercritical carbon dioxide/ethanol mixtures studied by molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Anthony, Seth

    Part I. Students' participation in inquiry-based chemistry laboratory curricula, and, in particular, engagement with key thinking processes in conjunction with these experiences, is linked with success at the difficult task of "transfer"---applying their knowledge in new contexts to solve unfamiliar types of problems. We investigate factors related to classroom experiences, student metacognition, and instructor feedback that may affect students' engagement in key aspects of the Model-Observe-Reflect-Explain (MORE) laboratory curriculum - production of written molecular-level models of chemical systems, describing changes to those models, and supporting those changes with reference to experimental evidence---and related behaviors. Participation in introductory activities that emphasize reviewing and critiquing of sample models and peers' models are associated with improvement in several of these key aspects. When students' self-assessments of the quality of aspects of their models are solicited, students are generally overconfident in the quality of their models, but these self-ratings are also sensitive to the strictness of grades assigned by their instructor. Furthermore, students who produce higher-quality models are also more accurate in their self-assessments, suggesting the importance of self-evaluation as part of the model-writing process. While the written feedback delivered by instructors did not have significant impacts on student model quality or self-assessments, students' resubmissions of models were significantly improved when students received "reflective" feedback prompting them to self-evaluate the quality of their models. Analysis of several case studies indicates that the content and extent of molecular-level ideas expressed in students' models are linked with the depth of discussion and content of discussion that occurred during the laboratory period, with ideas developed or personally committed to by students during the laboratory period being

  16. Gas phase chemical detection with an integrated chemical analysis system

    SciTech Connect

    CASALNUOVO,STEPHEN A.; FRYE-MASON,GREGORY CHARLES; KOTTENSTETTE,RICHARD; HELLER,EDWIN J.; MATZKE,CAROLYN M.; LEWIS,PATRICK R.; MANGINELL,RONALD P.; BACA,ALBERT G.; HIETALA,VINCENT M.

    2000-04-12

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample preconcentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described.

  17. Subject and Citation Indexing. Part I: The Clustering Structure of Composite Representations in the Cystic Fibrosis Document Collection. Part II: The Optimal, Cluster-Based Retrieval Performance of Composite Representations.

    ERIC Educational Resources Information Center

    Shaw, W. M., Jr.

    1991-01-01

    Two articles discuss the clustering of composite representations in the Cystic Fibrosis Document Collection from the National Library of Medicine's MEDLINE file. Clustering is evaluated as a function of the exhaustivity of composite representations based on Medical Subject Headings (MeSH) and citation indexes, and evaluation of retrieval…

  18. Mostly Plants. Individualized Biology Activities on: I. Investigating Bread Mold; II. Transpiration; III. Botany Project; IV. Collecting/Preserving/Identifying Leaves; [and] V. Student Science Laboratory Write-Ups.

    ERIC Educational Resources Information Center

    Gibson, Paul R.

    Individualized biology activities for secondary students are presented in this teaching guide. The guide is divided into five sections: (1) investigating bread mold; (2) investigating transpiration; (3) completing a botany project; (4) collecting, preserving, and identifying leaves; and (5) writing up science laboratory investigations. The…

  19. Anniston Community Health Survey: Follow-Up and Dioxin Analyses (ACHS-II) - Methods

    PubMed Central

    Birnbaum, L.S.; Dutton, N.D.; Cusack, C.; Mennemeyer, S.T.; Pavuk, M.

    2015-01-01

    High serum concentrations of polychlorinated biphenyls (PCBs) have been reported previously among residents of Anniston, Alabama, where a PCB production facility was located in the past. As the second of two cross-sectional studies of these Anniston residents, the Anniston Community Health Survey: Follow-Up and Dioxin Analyses (ACHS-II) will yield repeated measurements to be used to evaluate changes over time in ortho-PCB concentrations and selected health indicators in study participants. Dioxins, non-ortho PCBs, other chemicals, heavy metals, and a variety of additional clinical tests not previously measured in the original ACHS cohort will be examined in ACHS-II. The follow-up study also incorporates a questionnaire with extended sections on diet and occupational history for a more comprehensive assessment of possible exposure sources. Data collection for ACHS-II from 359 eligible participants took place in 2014, seven to nine years after ACHS. PMID:25982988

  20. Anniston community health survey: Follow-up and dioxin analyses (ACHS-II)--methods.

    PubMed

    Birnbaum, Linda S; Dutton, N D; Cusack, C; Mennemeyer, S T; Pavuk, M

    2016-02-01

    High serum concentrations of polychlorinated biphenyls (PCBs) have been reported previously among residents of Anniston, Alabama, where a PCB production facility was located in the past. As the second of two cross-sectional studies of these Anniston residents, the Anniston Community Health Survey: Follow-Up and Dioxin Analyses (ACHS-II) will yield repeated measurements to be used to evaluate changes over time in ortho-PCB concentrations and selected health indicators in study participants. Dioxins, non-ortho PCBs, other chemicals, heavy metals, and a variety of additional clinical tests not previously measured in the original ACHS cohort will be examined in ACHS-II. The follow-up study also incorporates a questionnaire with extended sections on diet and occupational history for a more comprehensive assessment of possible exposure sources. Data collection for ACHS-II from 359 eligible participants took place in 2014, 7 to 9 years after ACHS.

  1. Collective motion

    NASA Astrophysics Data System (ADS)

    Vicsek, Tamás; Zafeiris, Anna

    2012-08-01

    We review the observations and the basic laws describing the essential aspects of collective motion - being one of the most common and spectacular manifestation of coordinated behavior. Our aim is to provide a balanced discussion of the various facets of this highly multidisciplinary field, including experiments, mathematical methods and models for simulations, so that readers with a variety of background could get both the basics and a broader, more detailed picture of the field. The observations we report on include systems consisting of units ranging from macromolecules through metallic rods and robots to groups of animals and people. Some emphasis is put on models that are simple and realistic enough to reproduce the numerous related observations and are useful for developing concepts for a better understanding of the complexity of systems consisting of many simultaneously moving entities. As such, these models allow the establishing of a few fundamental principles of flocking. In particular, it is demonstrated, that in spite of considerable differences, a number of deep analogies exist between equilibrium statistical physics systems and those made of self-propelled (in most cases living) units. In both cases only a few well defined macroscopic/collective states occur and the transitions between these states follow a similar scenario, involving discontinuity and algebraic divergences.

  2. Chemical burns

    PubMed Central

    Cartotto, Robert C.; Peters, Walter J.; Neligan, Peter C.; Douglas, Leith G.; Beeston, Jeff

    1996-01-01

    Objectives To report a burn unit’s experience with chemical burns and to discuss the fundamental principles in managing chemical burns. Design A chart review. Setting A burn centre at a major university-affiliated hospital. Patients Twenty-four patients with chemical burns, representing 2.6% of all burn admissions over an 8-year period at the Ross Tilley Regional Adult Burn Centre. Seventy-five percent of the burn injuries were work-related accidents. Chemicals involved included hydrofluoric acid, sulfuric acid, black liquor, various lyes, potassium permanganate and phenol. Results Fourteen patients required excision and skin grafting. Complications were frequent and included ocular chemical contacts, wound infections, tendon exposures, toe amputation and systemic reactions from absorption of chemical. One patient died from a chemical scald burn to 98% of the body surface area. Conclusions The key principles in the management of chemical burns include removal of the chemical, copious irrigation, limited use of antidotes, correct estimation of the extent of injury, identification of systemic toxicity, treatment of ocular contacts and management of chemical inhalation injury. Individualized treatment is emphasized. PMID:8640619

  3. PORT II

    NASA Technical Reports Server (NTRS)

    Muniz, Beau

    2009-01-01

    One unique project that the Prototype lab worked on was PORT I (Post-landing Orion Recovery Test). PORT is designed to test and develop the system and components needed to recover the Orion capsule once it splashes down in the ocean. PORT II is designated as a follow up to PORT I that will utilize a mock up pressure vessel that is spatially compar able to the final Orion capsule.

  4. 78 FR 40186 - Proposed Aggregate Production Quotas for Schedule I and II Controlled Substances and Proposed...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-03

    ... and Proposed Assessment of Annual Needs for the List I Chemicals Ephedrine, Pseudoephedrine, and... needs for the List I chemicals ephedrine, pseudoephedrine, and phenylpropanolamine. DATES: Electronic... I and II controlled substances, and the List I chemicals ephedrine, pseudoephedrine,...

  5. [Chemical weapons and chemical terrorism].

    PubMed

    Nakamura, Katsumi

    2005-10-01

    Chemical Weapons are kind of Weapons of Mass Destruction (WMD). They were used large quantities in WWI. Historically, large quantities usage like WWI was not recorded, but small usage has appeared now and then. Chemical weapons are so called "Nuclear weapon for poor countrys" because it's very easy to produce/possession being possible. They are categorized (1) Nerve Agents, (2) Blister Agents, (3) Cyanide (blood) Agents, (4) Pulmonary Agents, (5) Incapacitating Agents (6) Tear Agents from the viewpoint of human body interaction. In 1997 the Chemical Weapons Convention has taken effect. It prohibits chemical weapons development/production, and Organization for the Prohibition of Chemical Weapons (OPCW) verification regime contributes to the chemical weapons disposal. But possibility of possession/use of weapons of mass destruction by terrorist group represented in one by Matsumoto and Tokyo Subway Sarin Attack, So new chemical terrorism countermeasures are necessary.

  6. Correlation between ¹⁹⁵Pt chemical shifts and the electronic transitions among d orbitals in pincer NCN Pt(II) complexes: A theoretical study and application of Ramsey's equation.

    PubMed

    Hashemi, Majid

    2015-12-05

    The chemical potentials for two series of [PtCl(NCN-Z-4)] (NCN=2,6-bis[(dimethylamino)methyl]phenyl, Z=H, CHO, COOH, NH2, OH, NO2, SiMe3, I, t-Bu) and [PtCl(NCN-4-CHN-C6H4-Z'-4')] (Z'=NMe2, Me, H, Cl, CN) were calculated. The energies of platinum d orbitals were calculated by NBO analysis. Good correlations were obtained between (195)Pt chemical shifts and the spectral parameters obtained from the energies of electronic transitions between Pt d orbitals in these complexes. The correlations between (195)Pt chemical shifts and the chemical potentials were also good. The correlations were discussed based on Ramsey's equation.

  7. Chemical microsensors

    SciTech Connect

    Li, DeQuan; Swanson, Basil I.

    1995-01-01

    An article of manufacture is provided including a substrate having an oxide surface layer and a selective thin film of a cyclodextrin derivative chemically bound upon said substrate, said film is adapted for the inclusion of a selected organic compound therewith. Such an article can be either a chemical sensor capable of detecting a resultant mass change from inclusion of the selected organic compound or a chemical separator capable of reversibly selectively separating a selected organic compound.

  8. Run II luminosity progress

    SciTech Connect

    Gollwitzer, K.; /Fermilab

    2007-06-01

    The Fermilab Tevatron Collider Run II program continues at the energy and luminosity frontier of high energy particle physics. To the collider experiments CDF and D0, over 3 fb{sup -1} of integrated luminosity has been delivered to each. Upgrades and improvements in the Antiproton Source of the production and collection of antiprotons have led to increased number of particles stored in the Recycler. Electron cooling and associated improvements have help make a brighter antiproton beam at collisions. Tevatron improvements to handle the increased number of particles and the beam lifetimes have resulted in an increase in luminosity.

  9. Discrete-Event Simulation in Chemical Engineering.

    ERIC Educational Resources Information Center

    Schultheisz, Daniel; Sommerfeld, Jude T.

    1988-01-01

    Gives examples, descriptions, and uses for various types of simulation systems, including the Flowtran, Process, Aspen Plus, Design II, GPSS, Simula, and Simscript. Explains similarities in simulators, terminology, and a batch chemical process. Tables and diagrams are included. (RT)

  10. 76 FR 14994 - Agency Information Collection Activities: Proposed Collection; Comments Requested: Reports of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-18

    ...: Reports of Suspicious Orders or Theft/Loss of Listed Chemicals/Machines ACTION: 60-Day Notice of... automated, electronic, mechanical, or other technological collection techniques or other forms of... Form/Collection: Reports of Suspicious Orders or Theft/Loss of Listed Chemicals/Machines. (3)...

  11. 78 FR 76656 - Agency Information Collection Activities: Proposed Collection; Comments Requested: Reports of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-18

    ...: Reports of Suspicious Orders or Theft/Loss of Listed Chemicals/Machines ACTION: 60-Day notice. The... automated, electronic, mechanical, or other technological collection techniques or other forms of... Form/Collection: Reports of Suspicious Orders or Theft/Loss of Listed Chemicals/Machines. (3)...

  12. Dust as interstellar catalyst. I. Quantifying the chemical desorption process

    NASA Astrophysics Data System (ADS)

    Minissale, M.; Dulieu, F.; Cazaux, S.; Hocuk, S.

    2016-01-01

    Context. The presence of dust in the interstellar medium has profound consequences on the chemical composition of regions where stars are forming. Recent observations show that many species formed onto dust are populating the gas phase, especially in cold environments where UV- and cosmic-ray-induced photons do not account for such processes. Aims: The aim of this paper is to understand and quantify the process that releases solid species into the gas phase, the so-called chemical desorption process, so that an explicit formula can be derived that can be included in astrochemical models. Methods: We present a collection of experimental results of more than ten reactive systems. For each reaction, different substrates such as oxidized graphite and compact amorphous water ice were used. We derived a formula for reproducing the efficiencies of the chemical desorption process that considers the equipartition of the energy of newly formed products, followed by classical bounce on the surface. In part II of this study we extend these results to astrophysical conditions. Results: The equipartition of energy correctly describes the chemical desorption process on bare surfaces. On icy surfaces, the chemical desorption process is much less efficient, and a better description of the interaction with the surface is still needed. Conclusions: We show that the mechanism that directly transforms solid species into gas phase species is efficient for many reactions.

  13. PESTICINS II. I and II

    PubMed Central

    Brubaker, Robert R.; Surgalla, Michael J.

    1962-01-01

    Brubaker, Robert R. (Fort Detrick, Frederick, Md.) and Michael J. Surgalla. Pesticins. II. Production of pesticin I and II. J. Bacteriol. 84:539–545. 1962.—Pesticin I was separated from pesticin I inhibitor by ion-exchange chromatography of cell-free culture supernatant fluids and by acid precipitation of soluble preparations obtained from mechanically disrupted cells. The latter procedure resulted in formation of an insoluble pesticin I complex which, upon removal by centrifugation and subsequent dissolution in neutral buffer, exhibited a 100- to 1,000-fold increase in antibacterial activity over that originally observed. However, activity returned to the former level upon addition of the acid-soluble fraction, which contained pesticin I inhibitor. Since the presence of pesticin I inhibitor leads to serious errors in the determination of pesticin I, an assay medium containing ethylenediaminetetraacetic acid in excess Ca++ was developed; this medium eliminated the effect of the inhibitor. By use of the above medium, sufficient pesticin I was found to be contained within 500 nonirradiated cells to inhibit growth of a suitable indicator strain; at least 107 cells were required to effect a corresponding inhibition by pesticin II. Although both pesticins are located primarily within the cell during growth, pesticin I may arise extracellularly during storage of static cells. Slightly higher activity of pesticin I inhibitor was found in culture supernatant fluids than occurred in corresponding cell extracts of equal volume. The differences and similarities between pesticin I and some known bacteriocins are discussed. PMID:14016110

  14. Non-planar chemical preconcentrator

    DOEpatents

    Manginell, Ronald P.; Adkins, Douglas R.; Sokolowski, Sara S.; Lewis, Patrick R.

    2006-10-10

    A non-planar chemical preconcentrator comprises a high-surface area, low mass, three-dimensional, flow-through sorption support structure that can be coated or packed with a sorptive material. The sorptive material can collect and concentrate a chemical analyte from a fluid stream and rapidly release it as a very narrow temporal plug for improved separations in a microanalytical system. The non-planar chemical preconcentrator retains most of the thermal and fabrication benefits of a planar preconcentrator, but has improved ruggedness and uptake, while reducing sorptive coating concerns and extending the range of collectible analytes.

  15. Hydrothermal synthesis, structural and physico-chemical characterizations of two Nasicon phosphates: M{sub 0.50}{sup II}Ti{sub 2}(PO{sub 4}){sub 3} (M = Mn, Co)

    SciTech Connect

    Essehli, Rachid; Bali, Brahim El; Benmokhtar, S.; Fejfarova, Karla; Dusek, Michal

    2009-07-01

    The family of titanium Nasicon-phosphates of generic formula M{sub 0.5}{sup II}Ti{sub 2}(PO{sub 4}){sub 3} has been revisited using hydrothermal techniques. Two phases have been synthesized: Mn{sub 0.5}{sup II}Ti{sub 2}(PO{sub 4}){sub 3} (MnTiP) and Co{sub 0.5}{sup II}Ti{sub 2}(PO{sub 4}){sub 3} (CoTiP). Single crystal diffraction studies show that they exhibit two different structural types. Mn{sub 0.5}{sup II}Ti{sub 2}(PO{sub 4}){sub 3} phosphate crystallizes in the R-3 space group, with the cell parameters a = 8.51300(10) A and c = 21.0083(3) A (V = 1318.52(3) A{sup 3} and Z = 6). The Co{sub 0.5}{sup II}Ti{sub 2}(PO{sub 4}){sub 3} phosphate crystallizes in the R-3c space group, with a = 8.4608(9) A and c = 21.174(2) A (V = 1312.7(2) A{sup 3} and Z = 6). These two compounds are clearly related to the parent Nasicon-type rhombohedral structure, which can be described using [Ti{sub 2}(PO{sub 4}){sub 3}] framework composed of two [TiO{sub 6}] octahedral interlinked via three [PO{sub 4}] tetrahedra. {sup 31}P magic-angle spinning nuclear magnetic resonance (MAS-NMR) data are presented as supporting data. Curie-Weiss-type behavior is observed in the magnetic susceptibility. The phases are also characterized by IR spectroscopy and UV-visible.

  16. Children Teaching Children II. [CD-ROM].

    ERIC Educational Resources Information Center

    California State Dept. of Education, Sacramento. Office of School Improvement.

    Children Teaching Children (CTC): Collection II is a CD-ROM created at 6 elementary schools in the West Contra Costa Unified School District (California) as part of the Coaching Odyssey for school improvement. CTC II, published by the California Department of Education, is an effective early literacy intervention that integrates the development of…

  17. 75 FR 80081 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-21

    ... NASA civil rights implementing regulation for Title VI of the Civil Rights Act of 1964. II. Method of Collection Paper form, signed by applicants. III. Data Title: NASA Assurance of Civil Rights Compliance Form... information collections, as required by the Paperwork Reduction Act of 1995 (Pub. L. 104-13, 44 U.S.C....

  18. 76 FR 8784 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-15

    ... hours. Estimated Total Annual Cost: $0.00. IV. Request for Comments Comments are invited on: (1) Whether... estimate of the burden (including hours and cost) of the proposed collection of information; (3) ways to... for the conference as well as the post-conference survey. II. Method of Collection Electronic....

  19. Postjunctional regulation by angiotensin II of alpha 1-adrenoceptor-mediated pressor responses in the rat.

    PubMed

    Marano, G; Argiolas, L

    1994-08-11

    The effects of angiotensin II on the vasopressor responses to the selective alpha 1-adrenoceptor agonist, phenylephrine, in intact and sympathectomized rats were investigated. Infusion of angiotensin II at subpressor doses significantly enhanced the pressor effects of phenylephrine in intact rats. We also found that in the chemically sympathectomized rat, where prejunctional sympathetic function is impaired, the effects of angiotensin II infusion on the pressor effects of phenylephrine were similar to those obtained in intact rats. Furthermore, pretreatment with valsartan ((S)-N-valeryl-N-([2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl)-val ine), a new selective angiotensin AT1 receptor antagonist, antagonized the effects of angiotensin II on phenylephrine-mediated pressor responses, whereas the administration of the selective angiotensin AT2 receptor antagonist, PD 123319 (1-[[4-(dimethylamino)-3-methylphenyl]-methyl]-5-(diphenylacetyl)- 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]-pyridine-6-carboxylic acid, ditriflouroacetate, monohydrate), injected in bolus doses of 100 micrograms/kg, did not antagonize the enhancing effect of angiotensin II. Collectively, these data suggest that angiotensin II modulates the response to phenylephrine primarily at a postjunctional level through the activation of angiotensin AT1 receptors and that the suggested prejunctional facilitation mediated by angiotensin receptors is quantitatively much less important in the intact animal.

  20. Chemical sensors

    DOEpatents

    Lowell, Jr., James R.; Edlund, David J.; Friesen, Dwayne T.; Rayfield, George W.

    1991-01-01

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising (a) a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, operatively coupled to (b) a transducer capable of directly converting said expansion or contraction to a measurable electrical response.