Science.gov

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

    SciTech Connect

    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 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

  4. Collective Surfing of Chemically Active Particles

    NASA Astrophysics Data System (ADS)

    Masoud, Hassan; Shelley, Michael J.

    2014-03-01

    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.

  5. 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. PMID:24724685

  6. 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....

  7. 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....

  8. 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.

  9. F antigen. II. Chemical and physical properties.

    PubMed

    Utzinger, R

    1975-01-01

    Physical and chemical properties of the liver-specific F antigen suggested a model for the labile quarternary structure of the protein. The native molecule showed a size slightly larger than 60,000 dalton (d), which was reduced to about 40,000 d under acidic conditions. Breaking of hydrogen bonds by chaotropic treatment resulted in the release of components of 30,000, 7,000 and 2,000 d. The smallest component was split to fragments of about 1,000 d by the reducing action of sulfhydryl compounds.

  10. Collection and chemical analysis of lichens for biomonitoring. Book chapter

    SciTech Connect

    Jackson, L.L.; Ford, J.; Schwartzman, D.

    1991-01-01

    The chapter discusses the interrelated aspects of biomonitoring using chemical analysis of lichens. Many unique aspects of study objectives, study design (including design tasks, considerations, and sampling schemes), sample collection, sample preparation, and sample analysis that are required for a successful biomonitoring program using chemical analysis are emphasized. The advantages and disadvantages of common analytical methods suitable for chemical analysis of lichens are briefly discussed. Aspects of a quality assurance program and final contract reports are highlighted. In addition, some examples of studies using chemical analysis of lichens are discussed.

  11. 76 FR 40377 - Agency Information Collection Activities; Proposed Collection; Comment Request; Class II Special...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-08

    ... Collection; Comment Request; Class II Special Controls Guidance Document: Labeling for Natural Rubber Latex... for the labeling of natural rubber latex condoms. DATES: Submit either electronic or written comments... Document: Labeling for Natural Rubber Latex Condoms Classified Under 21 CFR 884.5300--(OMB Control...

  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. 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.

  14. 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.

  15. 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...

  16. 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..., Part II and III (Form 1040), Profit or Loss From Farming. DATES: Written comments should be received on... Number: Schedule F, Part II and III (Form 1040). Abstract: Schedule F, Part II and III (Form 1040)...

  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. 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. PMID:27286472

  19. 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...

  20. 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

  1. 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

  2. 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.

  3. 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,...

  4. 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. PMID:26210323

  5. Taking on semantic commitments, II: Collective versus distributive readings.

    PubMed

    Frazier, L; Pacht, J M; Rayner, K

    1999-02-01

    In earlier work, Frazier and Rayner (1990) provided evidence for a processing principle termed the Minimal Semantic Commitment (MSC)hypothesis. In the present study, we used the MSC hypothesis as a starting point in addressing the issue of when to treat mental representations as vague versus determinate and ambiguous. Given ambiguous representations, the MSC hypothesis predicts that the processor will commit to one interpretation (the grammatical ambiguity hypothesis). On the other hand, given a single underspecified representation, the MSC hypothesis predicts that the processor will await disambiguating information before fully committing to an interpretation (the vagueness hypothesis). In an experiment designed to evaluate these hypotheses with respect to the representation of distributivity, participants' eye movements were recorded as they read sentences containing distributive or collective predicates that were either disambiguated by a preceding adverb or left locally ambiguous by delaying the disambiguating adverb until the end of the predicate. The results suggested that a semantic commitment is made in locally indeterminate cases as evidenced by a significant interaction of ambiguity and distributivity in first pass times, total times, and regressions. If the difficulty of distributives simply reflected the difficulty of postulating a distributive operator when evidence warranting it is encountered, then no interaction would be expected. Hence we argue that the distributive/collective distinction is treated as a matter of ambiguity rather than as one of vagueness. In the absence of evidence for a distributive reading, the processor commits itself to a collective reading sometime during the processing of the predicate (before the disambiguation in our late disambiguation examples). The findings are discussed in relation to recent linguistic work on the representation of distributivity.

  6. 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.

  7. 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

  8. 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...

  9. 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.

  10. 75 FR 36067 - Agency Information Collection Activities; Proposed Collection; Comment Request; Chemical-Specific...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-24

    ... other technological collection techniques or other forms of information technology, e.g., permitting... when I Prepare My Comments for EPA? You may find the following suggestions helpful for preparing your..., install, and utilize technology and systems for the purposes of collecting, validating, and...

  11. 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...

  12. 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. PMID:27586326

  13. 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).

  14. Insights into collective cell behaviour from populations of coupled chemical oscillators.

    PubMed

    Taylor, Annette F; Tinsley, Mark R; Showalter, Kenneth

    2015-08-21

    Biological systems such as yeast show coordinated activity driven by chemical communication between cells. Here, we show how experiments with coupled chemical oscillators can provide insights into collective behaviour in cellular systems. Two methods of coupling the oscillators are described: exchange of chemical species with the surrounding solution and computer-controlled illumination of a light-sensitive catalyst. The collective behaviour observed includes synchronisation, dynamical quorum sensing (a density dependent transition to population-wide oscillations), and chimera states, where oscillators spontaneously split into coherent and incoherent groups. At the core of the different types of behaviour lies an intracellular autocatalytic signal and an intercellular communication mechanism that influences the autocatalytic growth.

  15. 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.

  16. Role of transition metal ferrocyanides (II) in chemical evolution

    NASA Astrophysics Data System (ADS)

    Kamaluddin; Nath, Mala; Deopujari, Sushama W.; Sharma, Archana

    1990-05-01

    Due to ease of formation of cyanide under prebiotic conditions, cyanide ion might have formed stable complexes with transition metal ions on the primitive earth. In the course of chemical evolution insoluble metal cyano complexes, which settled at the bottom of primeval sea could have formed peptide and metal amino acid complexes through adsorption processes of amino acids onto these metal cyano complexes. Adsorption of amino acids such as glycine, aspartic acid, and histidine on copper ferrocyanide and zinc ferrocyanide have been studied over a wide pH range of 3.6 8.5. Amino acids were adsorbed on the metal ferrocyanide complexes for different time periods. The progress of the adsorption was followed spectro-photometrically using ninhydrin reagent. Histidine was found to show maximum adsorption on both the adsorbents at neutral pH. Zinc ferrocyanide exhibits good sorption behaviour for all the three amino acids used in these investigations.

  17. 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

  18. Quantum Chemical Studies on the Prediction of Structures, Charge Distributions and Vibrational Spectra of Some Ni(II), Zn(II), and Cd(II) Iodide Complexes

    NASA Astrophysics Data System (ADS)

    Bardakci, Tayyibe; Kumru, Mustafa; Altun, Ahmet

    2016-06-01

    Transition metal complexes play an important role in coordination chemistry as well as in the formation of metal-based drugs. In order to obtain accurate results for studying these type of complexes quantum chemical studies are performed and especially density functional theory (DFT) has become a promising choice. This talk represents molecular structures, charge distributions and vibrational analysis of Ni(II), Zn(II), and Cd(II) iodide complexes of p-toluidine and m-toluidine by means of DFT. Stable structures of the ligands and the related complexes have been obtained in the gas phase at B3LYP/def2-TZVP level and calculations predict Ni(II) complexes as distorted polymeric octahedral whereas Zn(II) and Cd(II) complexes as distorted tetrahedral geometries. Charge distribution analysis have been performed by means of Mulliken, NBO and APT methods and physically most meaningful method for our compounds is explained. Vibrational spectra of the title compounds are computed from the optimized geometries and theoretical frequencies are compared with the previously obtained experimental data. Since coordination occurs via nitrogen atoms of the free ligands, N-H stretching bands of the ligands are shifted towards lower wavenumbers in the complexes whereas NH_2 wagging and twisting vibrations are shifted towards higher wavenumbers.

  19. Students' Chemical Information Project, October 1967 - September 1968. Final Report: Part II.

    ERIC Educational Resources Information Center

    Callaghan, A.; And Others

    Part II of the Students' Chemical Information Project (SCIP), designed to spread the use of computer-based information services among research scientists and technologists, contains details of the project operations, statistics, results of questionnaires and research reports from liaison scientists (See LI 002 562 for Part I). Chapter I: Operation…

  20. Sensors, Volume 3, Part II, Chemical and Biochemical Sensors Part II

    NASA Astrophysics Data System (ADS)

    Göpel, Wolfgang; Jones, T. A.; Kleitz, Michel; Lundström, Ingemar; Seiyama, Tetsuro

    1997-06-01

    'Sensors' is the first self-contained series to deal with the whole area of sensors. It describes general aspects, technical and physical fundamentals, construction, function, applications and developments of the various types of sensors. This is the second of two volumes focusing on chemical and biochemical sensors. It includes a detailed description of biosensors which often make use of transducer properties of the basic sensors and usually have additional biological components. This volume provides a unique overview of the applications, the possibilities and limitations of sensors in comparison with conventional instrumentation in analytical chemistry. Specific facettes of applications are presented by specialists from different fields including environmental, biotechnological, medical, or chemical process control. This book is an indispensable reference work for both specialits and newcomers, researchers and developers.

  1. Tree Resin Composition, Collection Behavior and Selective Filters Shape Chemical Profiles of Tropical Bees (Apidae: Meliponini)

    PubMed Central

    Leonhardt, Sara D.; Schmitt, Thomas; Blüthgen, Nico

    2011-01-01

    The diversity of species is striking, but can be far exceeded by the chemical diversity of compounds collected, produced or used by them. Here, we relate the specificity of plant-consumer interactions to chemical diversity applying a comparative network analysis to both levels. Chemical diversity was explored for interactions between tropical stingless bees and plant resins, which bees collect for nest construction and to deter predators and microbes. Resins also function as an environmental source for terpenes that serve as appeasement allomones and protection against predators when accumulated on the bees' body surfaces. To unravel the origin of the bees' complex chemical profiles, we investigated resin collection and the processing of resin-derived terpenes. We therefore analyzed chemical networks of tree resins, foraging networks of resin collecting bees, and their acquired chemical networks. We revealed that 113 terpenes in nests of six bee species and 83 on their body surfaces comprised a subset of the 1,117 compounds found in resins from seven tree species. Sesquiterpenes were the most variable class of terpenes. Albeit widely present in tree resins, they were only found on the body surface of some species, but entirely lacking in others. Moreover, whereas the nest profile of Tetragonula melanocephala contained sesquiterpenes, its surface profile did not. Stingless bees showed a generalized collecting behavior among resin sources, and only a hitherto undescribed species-specific “filtering” of resin-derived terpenes can explain the variation in chemical profiles of nests and body surfaces from different species. The tight relationship between bees and tree resins of a large variety of species elucidates why the bees' surfaces contain a much higher chemodiversity than other hymenopterans. PMID:21858119

  2. Tree resin composition, collection behavior and selective filters shape chemical profiles of tropical bees (Apidae: Meliponini).

    PubMed

    Leonhardt, Sara D; Schmitt, Thomas; Blüthgen, Nico

    2011-01-01

    The diversity of species is striking, but can be far exceeded by the chemical diversity of compounds collected, produced or used by them. Here, we relate the specificity of plant-consumer interactions to chemical diversity applying a comparative network analysis to both levels. Chemical diversity was explored for interactions between tropical stingless bees and plant resins, which bees collect for nest construction and to deter predators and microbes. Resins also function as an environmental source for terpenes that serve as appeasement allomones and protection against predators when accumulated on the bees' body surfaces. To unravel the origin of the bees' complex chemical profiles, we investigated resin collection and the processing of resin-derived terpenes. We therefore analyzed chemical networks of tree resins, foraging networks of resin collecting bees, and their acquired chemical networks. We revealed that 113 terpenes in nests of six bee species and 83 on their body surfaces comprised a subset of the 1,117 compounds found in resins from seven tree species. Sesquiterpenes were the most variable class of terpenes. Albeit widely present in tree resins, they were only found on the body surface of some species, but entirely lacking in others. Moreover, whereas the nest profile of Tetragonula melanocephala contained sesquiterpenes, its surface profile did not. Stingless bees showed a generalized collecting behavior among resin sources, and only a hitherto undescribed species-specific "filtering" of resin-derived terpenes can explain the variation in chemical profiles of nests and body surfaces from different species. The tight relationship between bees and tree resins of a large variety of species elucidates why the bees' surfaces contain a much higher chemodiversity than other hymenopterans.

  3. Tree resin composition, collection behavior and selective filters shape chemical profiles of tropical bees (Apidae: Meliponini).

    PubMed

    Leonhardt, Sara D; Schmitt, Thomas; Blüthgen, Nico

    2011-01-01

    The diversity of species is striking, but can be far exceeded by the chemical diversity of compounds collected, produced or used by them. Here, we relate the specificity of plant-consumer interactions to chemical diversity applying a comparative network analysis to both levels. Chemical diversity was explored for interactions between tropical stingless bees and plant resins, which bees collect for nest construction and to deter predators and microbes. Resins also function as an environmental source for terpenes that serve as appeasement allomones and protection against predators when accumulated on the bees' body surfaces. To unravel the origin of the bees' complex chemical profiles, we investigated resin collection and the processing of resin-derived terpenes. We therefore analyzed chemical networks of tree resins, foraging networks of resin collecting bees, and their acquired chemical networks. We revealed that 113 terpenes in nests of six bee species and 83 on their body surfaces comprised a subset of the 1,117 compounds found in resins from seven tree species. Sesquiterpenes were the most variable class of terpenes. Albeit widely present in tree resins, they were only found on the body surface of some species, but entirely lacking in others. Moreover, whereas the nest profile of Tetragonula melanocephala contained sesquiterpenes, its surface profile did not. Stingless bees showed a generalized collecting behavior among resin sources, and only a hitherto undescribed species-specific "filtering" of resin-derived terpenes can explain the variation in chemical profiles of nests and body surfaces from different species. The tight relationship between bees and tree resins of a large variety of species elucidates why the bees' surfaces contain a much higher chemodiversity than other hymenopterans. PMID:21858119

  4. 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.

  5. 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.

  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. 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

  8. 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

  9. Equilibrium and thermodynamic studies of Cd (II) biosorption by chemically modified orange peel.

    PubMed

    Kumar, Arbind; Kumar, Vipin

    2016-03-01

    Agricultural wastes have great potential of removing heavy metal ions from aqueous solution. Removal of Cd (II) from aqueous solutions onto chemically modified orange peel was studied at different pH, contact time, initial metal concentrations, adsorbent doses and temperature. Batch experiments were carried out under optimized conditions to evaluate the adsorption capacity of orange peel chemically modified with NaOH. The results showed that maximum adsorption capacity of modified orange peel, approximately 97.0%, was observed 3 mg 1⁻¹ of initial Cd(II) concentration pH 6 for 4 g 1⁻¹ adsorbent dosage, 200 min contact time and 298 K temperature. Adsorption efficiency of modified orange peel decreased with increase in temperature indicated exothermic nature of adsorption. A negative value of ΔG⁰(-8.59 kJ mol⁻¹) confirmed the feasibility of adsorption process and spontaneous nature of adsorption. A negative value of ΔH⁰ (-28.08 kJ mol⁻¹) indicated exothermic nature while a negative ΔS⁰ (-66.86 J K⁻¹ mol⁻¹) value suggested decrease in degree of freedom of the adsorbed species. The results showed that biosorption process of Cd(II) ions by chemically modified orange peel is feasible, spontaneous and exothermic under studied conditions. Chemically by modified orange peel investigated in the present study showed good potential for the removal of cadmium from aqueous solutions. PMID:27097438

  10. 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

  11. Meeting report: eGenomics: Cataloguing our Complete Genome Collection II.

    PubMed

    Field, Dawn; Morrison, Norman; Selengut, Jeremy; Sterk, Peter

    2006-01-01

    This article summarizes the proceedings of the "eGenomics: Cataloguing our Complete Genome Collection II" workshop held November 10-11, 2005, at the European Bioinformatics Institute. This exploratory workshop, organized by members of the Genomic Standards Consortium (GSC), brought together researchers from the genomic, functional OMICS, and computational biology communities to discuss standardization activities across a range of projects. The workshop proceedings and outcomes are set to help guide the development of the GSC's Minimal Information about a Genome Sequence (MIGS) specification.

  12. Congenital anomalies in the teratological collection of Museum Vrolik in Amsterdam, The Netherlands. II: Skeletal dysplasias.

    PubMed

    Oostra, R J; Baljet, B; Dijkstra, P F; Hennekam, R C

    1998-05-01

    The Museum Vrolik collection of the Department of Anatomy and Embryology of the University of Amsterdam, founded by Gerardus Vrolik (1775-1859) and his son Willem Vrolik (1801-1863), consists of more than five thousand specimens of human and animal anatomy, embryology, pathology, and congenital anomalies. Recently, the collection of congenital anomalies was recatalogued and redescribed according to contempory syndromological views. The original descriptions, as far as preserved, were compared with the clinical and radiographical findings. In 18 specimens the following skeletal dysplasias were diagnosed: achondrogenesis, achondroplasia, Blomstrand chondrodysplasia, Majewski syndrome, osteodysplastic primordial dwarfism, osteogenesis imperfecta type I, osteogenesis imperfecta type II, and thanatophoric dysplasia with and without cloverleaf skull. Radiography did not yield a diagnosis in 4 specimens. The use of additional diagnostical techniques, such as MRI and CT scanning and fluorescence in situ hybridization in these specimens, is currently being investigated. PMID:9605285

  13. Evolution of chemical diversity by coordinated gene swaps in type II polyketide gene clusters

    PubMed Central

    Hillenmeyer, Maureen E.; Vandova, Gergana A.; Berlew, Erin E.; Charkoudian, Louise K.

    2015-01-01

    Natural product biosynthetic pathways generate molecules of enormous structural complexity and exquisitely tuned biological activities. Studies of natural products have led to the discovery of many pharmaceutical agents, particularly antibiotics. Attempts to harness the catalytic prowess of biosynthetic enzyme systems, for both compound discovery and engineering, have been limited by a poor understanding of the evolution of the underlying gene clusters. We developed an approach to study the evolution of biosynthetic genes on a cluster-wide scale, integrating pairwise gene coevolution information with large-scale phylogenetic analysis. We used this method to infer the evolution of type II polyketide gene clusters, tracing the path of evolution from the single ancestor to those gene clusters surviving today. We identified 10 key gene types in these clusters, most of which were swapped in from existing cellular processes and subsequently specialized. The ancestral type II polyketide gene cluster likely comprised a core set of five genes, a roster that expanded and contracted throughout evolution. A key C24 ancestor diversified into major classes of longer and shorter chain length systems, from which a C20 ancestor gave rise to the majority of characterized type II polyketide antibiotics. Our findings reveal that (i) type II polyketide structure is predictable from its gene roster, (ii) only certain gene combinations are compatible, and (iii) gene swaps were likely a key to evolution of chemical diversity. The lessons learned about how natural selection drives polyketide chemical innovation can be applied to the rational design and guided discovery of chemicals with desired structures and properties. PMID:26499248

  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. PMID:23846730

  15. 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

  16. 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.

  17. A novel chemical footprinting approach identifies critical lysine residues involved in the binding of receptor-associated protein to cluster II of LDL receptor-related protein.

    PubMed

    Bloem, Esther; Ebberink, Eduard H T M; van den Biggelaar, Maartje; van der Zwaan, Carmen; Mertens, Koen; Meijer, Alexander B

    2015-05-15

    Tandem mass tags (TMTs) were utilized in a novel chemical footprinting approach to identify lysine residues that mediate the interaction of receptor-associated protein (RAP) with cluster II of LDL (low-density lipoprotein) receptor (LDLR)-related protein (LRP). The isolated RAP D3 domain was modified with TMT-126 and the D3 domain-cluster II complex with TMT-127. Nano-LC-MS analysis revealed reduced modification with TMT-127 of peptides including Lys(256), Lys(270) and Lys(305)-Lys(306) suggesting that these residues contribute to cluster II binding. This agrees with previous findings that Lys(256) and Lys(270) are critical for binding cluster II sub-domains [Fisher, Beglova and Blacklow (2006) Mol. Cell 22, 277-283]. Cluster II-binding studies utilizing D3 domain variants K(256)A, K(305)A and K(306)A now showed that Lys(306) contributes to cluster II binding as well. For full-length RAP, we observed that peptides including Lys(60), Lys(191), Lys(256), Lys(270) and Lys(305)-Lys(306) exhibited reduced modification with TMT in the RAP-cluster II complex. Notably, Lys(60) has previously been implicated to mediate D1 domain interaction with cluster II. Our results suggest that also Lys(191) of the D2 domain contributes to cluster II binding. Binding studies employing the RAP variants K(191)A, K(256)A, K(305)A and K(306)A, however, revealed a modest reduction in cluster II binding for the K(256)A variant only. This suggests that the other lysine residues can compensate for the absence of a single lysine residue for effective complex assembly. Collectively, novel insight has been obtained into the contribution of lysine residues of RAP to cluster II binding. In addition, we propose that TMTs can be utilized to identify lysine residues critical for protein complex formation. PMID:25728577

  18. 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

  19. The NCGC pharmaceutical collection: a comprehensive resource of clinically approved drugs enabling repurposing and chemical genomics.

    PubMed

    Huang, Ruili; Southall, Noel; Wang, Yuhong; Yasgar, Adam; Shinn, Paul; Jadhav, Ajit; Nguyen, Dac-Trung; Austin, Christopher P

    2011-04-27

    Small-molecule compounds approved for use as drugs may be "repurposed" for new indications and studied to determine the mechanisms of their beneficial and adverse effects. A comprehensive collection of all small-molecule drugs approved for human use would be invaluable for systematic repurposing across human diseases, particularly for rare and neglected diseases, for which the cost and time required for development of a new chemical entity are often prohibitive. Previous efforts to build such a comprehensive collection have been limited by the complexities, redundancies, and semantic inconsistencies of drug naming within and among regulatory agencies worldwide; a lack of clear conceptualization of what constitutes a drug; and a lack of access to physical samples. We report here the creation of a definitive, complete, and nonredundant list of all approved molecular entities as a freely available electronic resource and a physical collection of small molecules amenable to high-throughput screening.

  20. 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).

  1. 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.

  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. 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

  4. Solid nanoarchitecture--Cu(II) solution: dynamics of the chemical communication.

    PubMed

    Millesi, Salvatrice; Maccarrone, Giuseppe; Gulino, Antonino

    2015-03-01

    Molecular monolayers and similar nanoarchitectures represent a promising future of the nanotechnology. Many of these systems behave as stimuli responsive materials since they undergo readable changes upon external stimuli. Therefore, chemical communication between these systems and the surrounding environment is a field extremely important. In the present study we explored by optical read-out the chemical communication between a porphyrin monolayer covalently bound to a quartz substrate (hardware) and copper(II) ions (stimulus). Different physical states can be safely distinguished since the intensity of the Soret band (output) associated with a calculated distribution diagram provided the degree of porphyrin complexation and, therefore, of the state of the optically active system as a result of a solution mediated interfacial communication. PMID:25660270

  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. 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.

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

    PubMed Central

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

    2014-01-01

    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. PMID:25411386

  8. 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...

  9. The Law and Collective Negotiations in Education. Volume II, Collective Action by Public School Teachers. Final Report.

    ERIC Educational Resources Information Center

    Wildman, Wesley A.

    This volume on law and collective negotiations in the schools is the second in a series of 4 monographs comprising a broad investigation of teacher collective action in local school districts in the United States. Part I (30 pages) of this volume deals with emerging local doctrine relating to the rights of teachers and other public employees to…

  10. 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.

  11. 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.

  12. Luminescence properties of II/VI semiconductor colloidal nanocrystals at collective and single scales

    NASA Astrophysics Data System (ADS)

    Vion, Céline; Barthou, Carlos; Coolen, Laurent; Bennaloul, Paul; Chinh, Vu Duc; Thuy Linh, Pham; Thi Bich, Vu; Thu Nga, Pham; Maître, Agnès

    2009-09-01

    Colloidal nanocrystals are crystalline spheres of semiconductors of a few nanometers, obtained by chemical synthesis. At this size scale, lower than Bohr radius of the exciton, emission properties are dominated by quantum confinement effects and depend crucially on the nanocrystal radius, which can be controlled by adjusting the synthesis parameters. Nanocrystals present high photostability and good quantum efficiency, even at room temperature. Their emission wavelength can be tuned over the whole visible range, making them very attractive solid state light sources which are already used in optoelectronic devices or for biological labeling. The luminescence properties of CdSe colloidal nanocrystals synthesized at the Institute of Materials Science in Hanoi are presented. At collective scale, the emission properties reveal the synthesis quality. Temperature effects from ambient to 4 K on spectra and decay rates will be presented and analyzed in terms of emitting level fine structure. The study of CdSe colloidal quantum dots at the single emitter scale is of great interest as it reveals properties which are hidden by collective studies, such as luminescence "blinking", a random switching from a fluorescent to a non fluorescent state, which is closely related to the crystalline defects of a nanocrystal and its interaction with its environment. We will present the blinking properties of the prepared nanocrystals, and relate them to the nanocrystals synthesis quality and shell quality.

  13. 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. PMID:26684426

  14. 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.

  15. Total chemical synthesis of enzymatically active human type II secretory phospholipase A2

    PubMed Central

    Hackeng, Tilman M.; Mounier, Carine M.; Bon, Cassian; Dawson, Philip E.; Griffin, John H.; Kent, Stephen B. H.

    1997-01-01

    Human group II secretory phospholipase A2 (sPLA2) is an enzyme found in the α granules of platelets and at inflammatory sites. Although its physiological function is unclear, sPLA2 can inhibit blood coagulation reactions independent of its lipolytic action. To study the molecular basis of PLA2 activities, we developed a total chemical synthesis of sPLA2 by chemical ligation of large unprotected peptides. The synthetic segments PLA2-(1–58)-αCOSCH2COOH and PLA2-(59–124) were prepared by stepwise solid-phase peptide synthesis and ligated to yield a peptide bond between Gly58 and Cys59. The 124-residue polypeptide product (mass: 13,920 ± 2 Da) was folded to yield one major product (mass: 13,905 ± 1 Da), the loss of 15 ± 3 Da reflecting the formation of seven disulfide bonds. Circular dichroism studies of synthetic sPLA2 showed α-helix, β-structure, and random coil contents consistent with those found in the crystal structure of sPLA2. Synthetic sPLA2 had kcat and Km values identical to those of recombinant sPLA2 for hydrolysis of 1,2-bis(heptanoylthio)-phosphatidylcholine. Synthetic sPLA2, like recombinant sPLA2, inhibited thrombin generation from prothrombinase complex (factors Xa, V, II, Ca2+, and phospholipids). In the absence of phospholipids, both synthetic and recombinant sPLA2 inhibited by 70% prothrombin activation by factors Xa, Va, and Ca2+. Thus, synthetic sPLA2 is a phospholipid-independent anticoagulant like recombinant or natural sPLA2. This study demonstrates that chemical synthesis of sPLA2 yields a fully active native-like enzyme and offers a straightforward tool to provide sPLA2 analogs for structure–activity studies of anticoagulant, lipolytic, or inflammatory activities. PMID:9223275

  16. 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.

  17. Chemical management in fungicide sensitivity of Mycosphaerella fijiensis collected from banana fields in México.

    PubMed

    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

  18. 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

  19. Chemical management in fungicide sensitivity of Mycosphaerella fijiensis collected from banana fields in México.

    PubMed

    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.

  20. 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

    ... the State of America's Collections (HHI II) AGENCY: Institute of Museum and Library Services, National.... SUMMARY: The Institute of Museum and Library Services (IMLS), as part of its continuing effort to reduce... and satisfaction with cultural programs and services, most especially library and museum services....

  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. Non-peptide angiotensin II receptor antagonists: chemical feature based pharmacophore identification.

    PubMed

    Krovat, Eva M; Langer, Thierry

    2003-02-27

    Chemical feature based pharmacophore models were elaborated for angiotensin II receptor subtype 1 (AT(1)) antagonists using both a quantitative and a qualitative approach (Catalyst HypoGen and HipHop algorithms, respectively). The training sets for quantitative model generation consisted of 25 selective AT(1) antagonists exhibiting IC(50) values ranging from 1.3 nM to 150 microM. Additionally, a qualitative pharmacophore hypothesis was derived from multiconformational structure models of the two highly active AT(1) antagonists 4u (IC(50) = 0.2 nM) and 3k (IC(50) = 0.7 nM). In the case of the quantitative model, the best pharmacophore hypothesis consisted of a five-features model (Hypo1: seven points, one hydrophobic aromatic, one hydrophobic aliphatic, a hydrogen bond acceptor, a negative ionizable function, and an aromatic plane function). The best qualitative model consisted of seven features (Hypo2: 11 points, two aromatic rings, two hydrogen bond acceptors, a negative ionizable function, and two hydrophobic functions). The obtained pharmacophore models were validated on a wide set of test molecules. They were shown to be able to identify a range of highly potent AT(1) antagonists, among those a number of recently launched drugs and some candidates presently undergoing clinical tests and/or development phases. The results of our study provide confidence for the utility of the selected chemical feature based pharmacophore models to retrieve structurally diverse compounds with desired biological activity by virtual screening. PMID:12593652

  3. Non-peptide angiotensin II receptor antagonists: chemical feature based pharmacophore identification.

    PubMed

    Krovat, Eva M; Langer, Thierry

    2003-02-27

    Chemical feature based pharmacophore models were elaborated for angiotensin II receptor subtype 1 (AT(1)) antagonists using both a quantitative and a qualitative approach (Catalyst HypoGen and HipHop algorithms, respectively). The training sets for quantitative model generation consisted of 25 selective AT(1) antagonists exhibiting IC(50) values ranging from 1.3 nM to 150 microM. Additionally, a qualitative pharmacophore hypothesis was derived from multiconformational structure models of the two highly active AT(1) antagonists 4u (IC(50) = 0.2 nM) and 3k (IC(50) = 0.7 nM). In the case of the quantitative model, the best pharmacophore hypothesis consisted of a five-features model (Hypo1: seven points, one hydrophobic aromatic, one hydrophobic aliphatic, a hydrogen bond acceptor, a negative ionizable function, and an aromatic plane function). The best qualitative model consisted of seven features (Hypo2: 11 points, two aromatic rings, two hydrogen bond acceptors, a negative ionizable function, and two hydrophobic functions). The obtained pharmacophore models were validated on a wide set of test molecules. They were shown to be able to identify a range of highly potent AT(1) antagonists, among those a number of recently launched drugs and some candidates presently undergoing clinical tests and/or development phases. The results of our study provide confidence for the utility of the selected chemical feature based pharmacophore models to retrieve structurally diverse compounds with desired biological activity by virtual screening.

  4. The Chemically Controlled Synthesis of Dust in Type II-P Supernovae

    NASA Astrophysics Data System (ADS)

    Sarangi, Arkaprabha; Cherchneff, Isabelle

    2013-10-01

    We study the formation of molecules and dust clusters in the ejecta of solar metallicity, Type II-P supernovae (SNe) using a chemical kinetic approach. We follow the evolution of molecules and small dust cluster masses from day 100 to day 1500 after explosion. We consider stellar progenitors with initial masses of 12, 15, 19, and 25 M ⊙ that explode as SNe with stratified ejecta. The molecular precursors to dust grains comprise molecular chains, rings and small clusters of silica, silicates, metal oxides, sulfides and carbides, pure metals, and carbon, where the nucleation of silicate clusters is described by a two-step process of metal and oxygen addition. We study the impact of the 56Ni mass on the type and amount of synthesized dust. We predict that large masses of molecules including CO, SiO, SiS, O2, and SO form in the ejecta. We show that the discrepancy between the small dust masses detected at infrared wavelengths some 500 days post-explosion and the larger amounts of dust recently detected with Herschel in SN remnants can be explained by the non-equilibrium chemistry linked to the formation of molecules and dust clusters in the ejected material. Dust gradually builds up from small (~10-5 M ⊙) to large masses (~5 × 10-2 M ⊙) over a 5 yr period after explosion. Subsequent dust formation and/or growth is hampered by the shortage of chemical agents participating in the dust nucleation and the long timescale for accretion. The results highlight the dependence of the dust chemical composition and mass on the amount of 56Ni synthesized during the explosion. This dependence may partly explain the diversity of epochs at which dust forms in SNe. More generally, our results indicate that Type II-P SNe are efficient but moderate dust producers with an upper limit on the mass of synthesized dust ranging from ~0.03 to 0.09 M ⊙. Other dust sources must then operate at high redshift to explain the large quantities of dust present in young galaxies in the early

  5. 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

  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

    2007-03-01

    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.

  7. Conditional knockout of collecting duct bradykinin B2 receptors exacerbates angiotensin II-induced hypertension during high salt intake.

    PubMed

    Kopkan, Libor; Husková, Zuzana; Jíchová, Šárka; Červenková, Lenka; Červenka, Luděk; Saifudeen, Zubaida; El-Dahr, Samir S

    2016-01-01

    We elucidated the role of collecting duct kinin B2 receptor (B2R) in the development of salt-sensitivity and angiotensin II (ANG II)-induced hypertension. To this end, we used a Cre-Lox recombination strategy to generate mice lacking Bdkrb2 gene for B2R in the collecting duct (Hoxb7-Cre(tg/+):Bdkrb2(flox/flox)). In 3 groups of control (Bdkrb2(flox/flox)) and 3 groups of UB(Bdkrb2-/-) mice, systolic blood pressure (SBP) responses to high salt intake (4 or 8% NaCl; HS) were monitored by radiotelemetry in comparison with standard salt diet (0.4% NaCl) prior to and during subcutaneous ANG II infusion (1000 ng/min/kg) via osmotic minipumps. High salt intakes alone for 2 weeks did not alter SBP in either strain. ANG II significantly increased SBP equally in control (121 ± 2 to 156 ± 3 mmHg) and UB(Bdkrb2-/-) mice (120 ± 2 to 153 ± 2 mmHg). The development of ANG II-induced hypertension was exacerbated by 4%HS in both control (125 ± 3 to 164 ± 5 mmHg) and UB(Bdkrb2-/-) mice (124 ± 2 to 162 ± 3 mmHg) during 2 weeks. Interestingly, 8%HS caused a more profound and earlier ANG II-induced hypertension in UB(Bdkrb2-/-) (129 ± 2 to 166 ± 3 mmHg) as compared to control (128 ± 2 to 158 ± 2 mmHg) and it was accompanied by body weight loss and increased mortality. In conclusion, targeted inactivation of B2R in the renal collecting duct does not cause salt-sensitivity; however, collecting duct B2R attenuates the hypertensive actions of ANG II under conditions of very high salt intake.

  8. Physical and chemical modification of distillery sludge for Pb(II) biosorption.

    PubMed

    Nadeem, Raziya; Hanif, Muhammad Asif; Shaheen, Fatima; Perveen, Shahnaz; Zafar, Muhammad Nadeem; Iqbal, Tahira

    2008-01-31

    The waste distillery sludge from sugar-cane industry was pretreated physically (boiled, heated and autoclaved) as well as chemically (HCl, H(2)SO(4), H(3)PO(4), NaOH, Ca(OH)(2), Al(OH)(3), C(6)H(6), HCHO, CH(3)OH and C1(2)H(25)OSO(3)Na (sodium dodecyl sulphate (SDS)) for assessing the comparative sorption capacity of untreated and modified distillery sludge for Pb(II) biosorption from aqueous solutions. Experiments were conducted in shake flasks on a batch basis to access the effect of different experimental parameters such as pH, biosorbent dosage, biosorbent size, initial Pb(II) concentration and contact time. The uptake capacity 'q' (mg/g) of untreated and pretreated distillery sludge was in following order: NaOH (51.29+/-1.21)>HCl (49.82+/-1.22)>HCHO (49.56+/-1.14)>H(2)SO(4) (47.71+/-1.20)>HgCl(2) (45.32+/-1.06)>Ca(OH)(2) (44.01+/-1.18)>MeOH (43.73+/-1.23)>C(6)H(6) (42.72+/-1.19)>H(3)PO(4) (42.01+/-1.17)>SDS (40.87+/-1.27)>autoclaved (40.23+/-1.24)>Boiled (39.95+/-1.19)>heated (38.87+/-1.32)>Al (OH)(3) (38.30+/-1.14)>untreated (37.76+/-1.21). In further parameter studies, the optimized biosorbent size was 0.250 mm at pH 5 and best dose was 0.05 g of biosorbent. The applicability of the Langmuir and Freundlich models for sorption process was tested and best fitted model was Langmuir with the coefficient of determination (R(2)) value, 0.97, the process followed second order kinetic mechanism.

  9. Development of a multi-component chemically reactive detection conjugate for the determination of Hg(II) in water samples.

    PubMed

    Zhou, Yu; Tian, Xiang-Li; Li, Yan-Song; Zhang, Yuan-Yuan; Li, Zhao-Hui; Yang, Li; Zhang, Jun-Hui; Wang, Xin-Rui; Meng, Xian-Mei; Liu, Jing-Qiu

    2012-04-29

    Mercury ions (Hg(II)) are considered highly toxic and hazardous element even at low levels. The contamination of Hg(II) is a global problem. To develop selective and sensitive technique for the detection of Hg(II) has attracted considerable attention. In this study, a multi-component chemically reactive detection conjugate for determination of Hg(II) has been synthesized and a competitive format assay was proposed. In the technique, the chemically reactive capture conjugate was coated on the plate. The reactive detection conjugate was then captured by the capture conjugate. TMB solution was added and catalyzed by HRP molecules immobilized on AuNPs. Finally, the developed enzymatic signal was measured at 450 nm. The linear range of the assay was 0.35-350 ppb with a detection limit of 0.1 ppb. The average recoveries of Hg(II) from mineral water, tap water and lake water were 100.03%, 103.13% and 102.03%, respectively. All coefficients of variation (CVs) were less than 10%. The results are closely correlated with those from inductively coupled plasma mass spectrometry (ICP-MS), which indicated that the developed technique is a reliable method for and sensitive detection of Hg(II) in water samples.

  10. Development of a multi-component chemically reactive detection conjugate for the determination of Hg(II) in water samples.

    PubMed

    Zhou, Yu; Tian, Xiang-Li; Li, Yan-Song; Zhang, Yuan-Yuan; Li, Zhao-Hui; Yang, Li; Zhang, Jun-Hui; Wang, Xin-Rui; Meng, Xian-Mei; Liu, Jing-Qiu

    2012-04-29

    Mercury ions (Hg(II)) are considered highly toxic and hazardous element even at low levels. The contamination of Hg(II) is a global problem. To develop selective and sensitive technique for the detection of Hg(II) has attracted considerable attention. In this study, a multi-component chemically reactive detection conjugate for determination of Hg(II) has been synthesized and a competitive format assay was proposed. In the technique, the chemically reactive capture conjugate was coated on the plate. The reactive detection conjugate was then captured by the capture conjugate. TMB solution was added and catalyzed by HRP molecules immobilized on AuNPs. Finally, the developed enzymatic signal was measured at 450 nm. The linear range of the assay was 0.35-350 ppb with a detection limit of 0.1 ppb. The average recoveries of Hg(II) from mineral water, tap water and lake water were 100.03%, 103.13% and 102.03%, respectively. All coefficients of variation (CVs) were less than 10%. The results are closely correlated with those from inductively coupled plasma mass spectrometry (ICP-MS), which indicated that the developed technique is a reliable method for and sensitive detection of Hg(II) in water samples. PMID:22483216

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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

  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. Burnup calculations and chemical analysis of irradiated fuel samples studied in LWR-PROTEUS phase II

    SciTech Connect

    Grimm, P.; Guenther-Leopold, I.; Berger, H. D.

    2006-07-01

    The isotopic compositions of 5 UO{sub 2} samples irradiated in a Swiss PWR power plant, which were investigated in the LWR-PROTEUS Phase II programme, were calculated using the CASMO-4 and BOXER assembly codes. The burnups of the samples range from 50 to 90 MWd/kg. The results for a large number of actinide and fission product nuclides were compared to those of chemical analyses performed using a combination of chromatographic separation and mass spectrometry. A good agreement of calculated and measured concentrations is found for many of the nuclides investigated with both codes. The concentrations of the Pu isotopes are mostly predicted within {+-}10%, the two codes giving quite different results, except for {sup 242}Pu. Relatively significant deviations are found for some isotopes of Cs and Sm, and large discrepancies are observed for Eu and Gd. The overall quality of the predictions by the two codes is comparable, and the deviations from the experimental data do not generally increase with burnup. (authors)

  18. Possible role of metal(II) octacyanomolybdate(IV) in chemical evolution: interaction with ribose nucleotides.

    PubMed

    Kumar, Anand; Kamaluddin

    2013-02-01

    We have proposed that double metal cyanide compounds (DMCs) might have played vital roles as catalysts in chemical evolution and the origin of life. We have synthesized a series of metal octacyanomolybdates (MOCMos) and studied their interactions with ribose nucleotides. MOCMos have been shown to be effective adsorbents for 5'-ribonucleotides. The maximum adsorption level was found to be about 50 % at neutral pH under the conditions studied. The zinc(II) octacyanomolybdate(IV) showed larger adsorption compared to other MOCMos. The surface area seems to important parameter for the adsorption of nucleotides. The adsorption followed a Langmuir adsorption isotherms with an overall adsorption trends of the order of 5'-GMP > 5'-AMP > 5'-CMP > 5'-UMP. Purine nucleotides were adsorbed more strongly than pyrimidine nucleotides on all MOCMos possibly because of the additional binding afforded by the imidazole ring in purines. Infrared spectral studies of adsorption adducts indicate that adsorption takes place through interaction between adsorbate molecules and outer divalent ions of MOCMos.

  19. Possible Role of Metal(II) Octacyanomolybdate(IV) in Chemical Evolution: Interaction with Ribose Nucleotides

    NASA Astrophysics Data System (ADS)

    Kumar, Anand; Kamaluddin

    2013-02-01

    We have proposed that double metal cyanide compounds (DMCs) might have played vital roles as catalysts in chemical evolution and the origin of life. We have synthesized a series of metal octacyanomolybdates (MOCMos) and studied their interactions with ribose nucleotides. MOCMos have been shown to be effective adsorbents for 5'-ribonucleotides. The maximum adsorption level was found to be about 50 % at neutral pH under the conditions studied. The zinc(II) octacyanomolybdate(IV) showed larger adsorption compared to other MOCMos. The surface area seems to important parameter for the adsorption of nucleotides. The adsorption followed a Langmuir adsorption isotherms with an overall adsorption trends of the order of 5'-GMP > 5'-AMP > 5'-CMP > 5'-UMP. Purine nucleotides were adsorbed more strongly than pyrimidine nucleotides on all MOCMos possibly because of the additional binding afforded by the imidazole ring in purines. Infrared spectral studies of adsorption adducts indicate that adsorption takes place through interaction between adsorbate molecules and outer divalent ions of MOCMos.

  20. 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)

  1. 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

  2. Operation and Maintenance of Wastewater Collection Systems. Volume II. Third Edition. A Field Study Training Program.

    ERIC Educational Resources Information Center

    California State Univ., Sacramento. Dept. of Civil Engineering.

    Proper installations, inspections, operations, maintenance and repairs of wastewater collection, conveyance and treatment facilities have a significant impact on the operation and maintenance costs, and the effectiveness of these facilities. This manual is the second volume of a two-part program designed to provide wastewater collection system…

  3. Guidelines for Community Relations Personnel. Criminal Justice Research. Prevention and Control of Collective Violence, Volume II.

    ERIC Educational Resources Information Center

    Callahan, W. Thomas; Knoblauch, Richard L.

    The objective of this study is to provide local law enforcement agencies with guidelines for the collection and dissemination of elements of information required for sound decision making in response to the threat or actual initiation of collective violence. Informal, semi-structured interviews in fourteen selected cities and six State police…

  4. 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,...

  5. 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

  6. 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

  7. Information collection request for proposed National Primary Drinking Water Regulations for synthetic organic chemicals (draft), April 1989

    SciTech Connect

    Not Available

    1989-04-01

    The Environmental Protection Agency (EPA), under the requirements of the Safe Drinking Water Act (Section 1401 and 1412, P.L. 99-339, as amended in 1986), has proposed National Primary Drinking Water Regulations (NPDWR) pertaining to the contamination of public water systems by synthetic organic chemical (SOCs) contaminants. The proposed regulations require the collection of information by public water systems, states, and the EPA. Information collection requirements include monitoring, reporting, and recordkeeping activities that are discussed in this Information Collection Requests (ICR) document.

  8. 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...

  9. Chemical characterization of binding properties of opacity-associated protein II from Neisseria gonorrhoeae.

    PubMed Central

    Bessen, D; Gotschlich, E C

    1987-01-01

    Binding of an opacity-associated protein II (PIIop) from Neisseria gonorrhoeae to eucaryotic macromolecules was studied. HeLa cell extracts were subjected to sodium dodecyl sulfate-polyacrylamide gel electrophoresis and transferred to nitrocellulose, and purified PIIop bound to approximately 50 distinct molecular species. The binding of PIIop to HeLa cell components was stable in high salt and nonionic detergent and was not inhibited by a variety of monosaccharides and polyionic substances. PIIop binding behavior was compared with that of two model carbohydrate-binding proteins, wheat germ agglutinin (WGA) and concanavalin A (ConA). Model glycoproteins (ovomucoid, fetuin, mucin, ovalbumin) inhibited binding by PIIop, WGA, and ConA to various degrees. HeLa cell glycopeptides, generated by pronase digestion of chloroform-methanol-extracted cells, were tested for their ability to inhibit binding by PIIop to Western blots of HeLa cell macromolecules. HeLa cell extracts inhibited PIIop binding before pronase treatment, but inhibitory activity was lost as a result of pronase digestion. Direct binding to defined glycosylated and nonglycosylated proteins revealed that ConA and WGA bound only glycoproteins, whereas PIIop bound to proteins lacking carbohydrate as well. PIIop binding to human and bovine serum albumins was of high affinity and required partial unfolding of albumin; native albumin was not bound by PIIop; however, both the denatured, reduced form of albumin and the compact, nonreduced form of carboxymethylated albumin were bound strongly by PIIop. Albumin-PIIop interaction did not involve covalent bond formation through sulfhydryl groups. The predominant binding interactions of PIIop found in this study were with protein rather than carbohydrate, and the chemical nature of the interactions is more complex than involvement of purely ionic or hydrophobic forces. Images PMID:3098683

  10. Stochastic theory of nonequilibrium steady states. Part II: Applications in chemical biophysics

    NASA Astrophysics Data System (ADS)

    Ge, Hao; Qian, Min; Qian, Hong

    2012-01-01

    The mathematical theory of nonequilibrium steady state (NESS) has a natural application in open biochemical systems which have sustained source(s) and sink(s) in terms of a difference in their chemical potentials. After a brief introduction in Section 1, in Part II of this review, we present the widely studied biochemical enzyme kinetics, the workhorse of biochemical dynamic modeling, in terms of the theory of NESS (Section 2.1). We then show that several phenomena in enzyme kinetics, including a newly discovered activation-inhibition switching (Section 2.2) and the well-known non-Michaelis-Menten-cooperativity (Section 2.3) and kinetic proofreading (Section 2.4), are all consequences of the NESS of driven biochemical systems with associated cycle fluxes. Section 3 is focused on nonlinear and nonequilibrium systems of biochemical reactions. We use the phosphorylation-dephosphorylation cycle (PdPC), one of the most important biochemical signaling networks, as an example (Section 3.1). It starts with a brief introduction of the Delbrück-Gillespie process approach to mesoscopic biochemical kinetics (Sections 3.2 and 3.3). We shall discuss the zeroth-order ultrasensitivity of PdPC in terms of a new concept - the temporal cooperativity (Sections 3.4 and 3.5), as well as PdPC with feedback which leads to biochemical nonlinear bistability (Section 3.6). Also, both are nonequilibrium phenomena. PdPC with a nonlinear feedback is kinetically isomorphic to a self-regulating gene expression network, hence the theory of NESS discussed here could have wide applications to many other biochemical systems.

  11. (1)H, (13)C, and (15)N chemical shifts assignments for human endothelial monocyte-activating polypeptide EMAP II.

    PubMed

    Lozhko, Dmytro; Stanek, Jan; Kazimierczuk, Krzysztof; Zawadzka-Kazimierczuk, Anna; Kozminski, Wiktor; Zhukov, Igor; Kornelyuk, Alexander

    2013-04-01

    Endothelial and monocyte-activating polypeptide II (EMAP II) is a cytokine that plays an important role in inflammation, apoptosis and angiogenesis processes in tumour tissues. Structurally, the EMAP II is a 169 amino acid residues long C-terminal domain (residues 147-312) of auxiliary tRNA binding protein p43. In spite of existence in pdb databank of two X-ray structures there are some important aspects of EMAP II cytokine function which are still not fully understood in detail. To obtain information about 3D structure and backbone dynamic processes in solution we perform structure evaluation of human EMAP II cytokine by NMR spectroscopy. The standard approach to sequence-specific backbone assignment using 3D NMR data sets was not successful in our studies and was supplemented by recently developed 4D NMR experiments with random sampling of evolution time space. Here we report the backbone and side chain (1)H, (13)C, and (15)N chemical shifts in solution for recombinant EMAP II cytokine together with secondary structure provided by TALOS + software.

  12. Low Budget Biology II: A Collection of Low Cost Labs and Activities.

    ERIC Educational Resources Information Center

    Wartski, Bert; Wartski, Lynn Marie

    This document contains 13 low budget labs, demonstrations, and activities to be used in the biology classroom. Each activity has a teacher preparation section which states the purpose of each lab, some basic information, a list of materials and what they do, and how to prep the different solutions and chemicals. All labs are designed for a…

  13. Chemical speciation and bioavailability of Cu(II). Study of the ionic copper(II) and bis(glycinate)-copper(II) accumulation by Lemna species

    SciTech Connect

    Benda, F.; Kouba, J. )

    1991-03-01

    In this paper, the authors examined the accumulation of copper(II) in, and its toxic effect on, duckweed, a plant which exhibits extremely high concentration factors. The effect of copper(II) was investigated by adding it to the minimal medium in two forms: CuSO{sub 4} and (Cu(Gly){sub 2}). The neutral (2:1) tetracoordinated bis(glycinate)-copper(II) complex is constituted by two five-membered rings bonded to the central copper atom with the cis configuration. This complex was chosen to model the function of a neutral species (eliminating the charge effect) involving a nontoxic ligand, for which - in contrast to the hydrated Cu{sup 2+} species - direct permeation through the cell wall is conceivable.

  14. Accessibility of selenomethionine proteins by total chemical synthesis: structural studies of human herpesvirus-8 MIP-II.

    PubMed

    Shao, W; Fernandez, E; Wilken, J; Thompson, D A; Siani, M A; West, J; Lolis, E; Schweitzer, B I

    1998-12-11

    The determination of high resolution three-dimensional structures by X-ray crystallography or nuclear magnetic resonance (NMR) is a time-consuming process. Here we describe an approach to circumvent the cloning and expression of a recombinant protein as well as screening for heavy atom derivatives. The selenomethionine-modified chemokine macrophage inflammatory protein-II (MIP-II) from human herpesvirus-8 has been produced by total chemical synthesis, crystallized, and characterized by NMR. The protein has a secondary structure typical of other chemokines and forms a monomer in solution. These results indicate that total chemical synthesis can be used to accelerate the determination of three-dimensional structures of new proteins identified in genome programs.

  15. Accessibility of selenomethionine proteins by total chemical synthesis: structural studies of human herpesvirus-8 MIP-II.

    PubMed

    Shao, W; Fernandez, E; Wilken, J; Thompson, D A; Siani, M A; West, J; Lolis, E; Schweitzer, B I

    1998-12-11

    The determination of high resolution three-dimensional structures by X-ray crystallography or nuclear magnetic resonance (NMR) is a time-consuming process. Here we describe an approach to circumvent the cloning and expression of a recombinant protein as well as screening for heavy atom derivatives. The selenomethionine-modified chemokine macrophage inflammatory protein-II (MIP-II) from human herpesvirus-8 has been produced by total chemical synthesis, crystallized, and characterized by NMR. The protein has a secondary structure typical of other chemokines and forms a monomer in solution. These results indicate that total chemical synthesis can be used to accelerate the determination of three-dimensional structures of new proteins identified in genome programs. PMID:9877169

  16. Law and psychiatry. Doing forensic work, II: fees, billing, and collections.

    PubMed

    Reid, William H

    2012-05-01

    Forensic practice fees, billing, and collection procedures are quite different from those in general psychiatry. Most forensic practices have far fewer "clients," and individual bills are usually larger. Collections are usually better (and less frequently discounted) in forensic practice, and resolving billing disputes is far more straightforward. Medicare, Medicaid, other insurance coverage, provider networks and agreements, procedure codes, and diagnosis-related groups (DRGs) are all largely irrelevant in forensic work (although sometimes important to direct clinical services in correctional psychiatry or forensic treatment clinics). An understanding of the practicalities and ethics of charging and billing for forensic services greatly simplifies practice management.

  17. 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.

  18. 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 World," David Owen; (4)…

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  1. 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...

  2. 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

  3. Morphological and chemical composition characteristics of summertime atmospheric particles collected at Tokchok Island, Korea

    NASA Astrophysics Data System (ADS)

    Geng, Hong; Jung, Hae-Jin; Park, YooMyung; Hwang, HeeJin; Kim, HyeKyeong; Kim, Yoo Jung; Sunwoo, Young; Ro, Chul-Un

    Determination of the chemical compositions of atmospheric single particles in the Yellow Sea region is critical for evaluating the environmental impact caused by air pollutants emitted from mainland China and the Korean peninsula. After ambient aerosol particles were collected by the Dekati PM10 cascade impactor on July 17-23, 2007 at Tokchok Island (approximately 50 km west of the Korean coast nearby Seoul), Korea, overall 2000 particles (on stage 2 and 3 with cut-off diameters of 2.5-10 μm and 1.0-2.5 μm, respectively) in 10 samples were determined by using low- Z particle electron probe X-ray microanalysis. X-ray spectral and secondary electron image (SEI) data showed that soil-derived and sea-salt particles which had reacted or were mixed with SO 2 and NO x (or their acidic products) outnumbered the primary and "genuine" ones (59.2% vs. 19.2% in the stage 2 fraction and 41.3% vs. 9.9% in the stage 3 fraction). Moreover, particles containing nitrate in the secondary soil-derived species greatly outnumbered those containing sulfate. Organic particles, mainly consisting of marine biogenic species, were more abundant in the stage 2 fraction than in the stage 3 fraction (11.6% vs. 5.1%). Their relative abundance was greater than the sum of carbon-rich, K-containing, Fe-containing, and fly ash particles, which exhibited low frequencies in all the samples. In addition, many droplets rich in C, N, O, and S were observed. They tended to be small, exhibiting a dark round shape on SEI, and generally included 8-20 at.% C, 0-12 at.% N, 60-80 at.% O, and 4-10 at.% S (sometimes with <3 at.% Mg and Na). They were attributed to be a mixture of carbonaceous matter, H 2SO 4, and NH 4HSO 4/(NH 4) 2SO 4, mostly from the reaction of atmospheric SO 2 with NH 3 under high relative humidity. The analysis of the relationship between the aerosol particle compositions and 72-h backward air-mass trajectories suggests that ambient aerosols at Tokchok Island are strongly affected not only

  4. 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

  5. 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.

  6. Chemical toxicity to environmental bacteria: Quantitative structure activity relationships and interspecies correlations and comparisons (Volumes I and II)

    SciTech Connect

    Blum, D.J.W.

    1989-01-01

    Toxicity data were collected for four groups of bacteria and a fish. These data were collected for four groups of bacteria and a fish. These data were used to compare and correlate the toxicities to different organisms, and to develop Quantitative Structure Activity Relationships (QSARs) correlating chemical structure with toxicity. Chemical toxicity to aerobic heterotrophic bacteria, Nitrosomonas, and methanogens were measured using serum bottle techniques in order to determine the concentration of chemical which caused 50% inhibition in microorganism's activity. Toxicity to Photobacteria phosphoreum (Microtox bacteria) and fathead minnows was also tested or data collected from the literature. Toxicants included chlorinated and other substituted benzenes and phenols, chlorinated alkanes, and a variety of additional compounds covering a range of chemical structures. Data were obtained for 50 to 130 chemicals per species. The sensitivity of the organism fell into two groups with Microtox bacteria, Nitrosomonas, and fathead minnows showing significantly greater sensitivity than aerobic heterotrophs and methanogens. Highly successful interspecies correlations were found between Microtox and each of the other species.

  7. Chemometric investigation of complex equilibria in solution phase II: Sensitivity of chemical models for the interaction of AADH and FAH with Ni(II) in aqueous medium.

    PubMed

    Babu, A R; Krishna, D M; Rao, R S

    1993-12-01

    A detailed study of the species formed in the complex equilibria involving adipic acid dihydrazide (AADH)/2-furoic acid hydrazide (FAH) with Ni(II) using pH titration with glass electrode is performed. The results of modeling studies and effect of errors on the equilibrium constants of AADH/FAH with Ni(II) refined by the non-linear least squares program MINIQUAD75 are reported. Based on the expert system approach developed in our laboratory for the species formed from secondary formation data (n and n (H)), several preliminary chemical models were tested. For the four species identified (MLH, ML, ML(2)H, ML(2)), an exhaustive search of a different combination of models (15) was performed. Then other suspected minor species (ML(2)H(2), ML(3) and ML(3)H) were tested. The final best fit chemical model was found to contain ML(3)H to an extent of 3% along with the other four major species. In order to ascertain the accuracy of the stability constants and consequently distribution of the species, a detailed error analysis is attempted. As the existing least squares procedures cannot suppress the systematic errors, three-dimensional plots of the simultaneous effects of pH and TLO:TMO (1.5:1 to 5:1) on the percentage of species are drawn which are of immense use in arriving at optimum conditions for the preparation of a complex of definite stoichiometry. PMID:18965865

  8. 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.

  9. Information-collection request for: National Primary Drinking Water Regulations for inorganic chemicals. Phase 2, March 1989

    SciTech Connect

    Not Available

    1989-03-31

    The Environmental Protection Agency (EPA), under the requirements of the Safe Drinking Water Act Section 1401 and 1412, P.L. 99-339, as amended in 1986, has proposed a National Primary Drinking Water Regulation (NPDWR) pertaining to the contamination of public-water systems by inorganic chemical contaminants. The proposed IOCs Rule includes information collection requirements for eight inorganic chemicals -- asbestos, barium, cadmium, chromium, mercury, nitrate, nitrite, and selenium. The information collection request analyzes the information burden imposed on public-water systems and States as a result of the regulation. EPA is proposing only to regulate source-related inorganics under this rule, as opposed to inorganics which predominately occur as corrosion by-products and naturally occurring copper and lead are analyzed in the RIA and ICR for lead and corrosion by-products. Note also that EPA has already promulgated a NPDWR for fluoride.

  10. ADH-PGE2 interactions in cortical collecting tubule. II. inhibition of Ca and P reabsorption.

    PubMed

    Holt, W F; Lechene, C

    1981-10-01

    In the absence of ADH, microperfused cortical collecting tubules of rabbits reabsorb calcium and phosphorus. Antidiuretic hormone (ADH) (200 microunits/ml Pitressin or synthetic arginine vasopressin) inhibits the reabsorption and may promote the secretion of calcium and phosphorus. At 5 min after incubation with ADH, there was a transitory increase in the potential difference and the reabsorption of sodium. The fluxes of calcium and phosphorus, however, showed no significant change from the control values. At 30-50 min after treatment with ADH, the reabsorption of calcium and phosphorus was inhibited and in some tubules calcium and phosphorus were secreted. The removal of vasopressin from the bath or the addition of 10(-5) M meclofenamate in vitro prevented ADH from inhibiting the reabsorption of calcium and phosphorus. Treatment of tubules with 10(-5) M prostaglandin E2 (PGE2) subsequent to incubation in a medium containing ADH and meclofenamate inhibited the reabsorption or even promoted the secretin of calcium and phosphorus, as did the prolonged incubation with ADH alone. We conclude that cortical collecting tubules reabsorb calcium and phosphorus in the absence of vasopressin and that ADH inhibits calcium and phosphorus reabsorption. Endogenous synthesis of PGE2 may mediate the inhibitory action of ADH, since meclofenamate (an inhibitor of the synthesis of prostaglandins) opposes and exogenous PGE2 mimics ADH. PMID:6947697

  11. Chemical evolution of peroxidase--amino acid pentacyanoferrate (II) complexes as model.

    PubMed

    Kamaluddin; Nath, M; Deopujari, S W

    1988-01-01

    Complexes of the type [Fe(II)(CN)5(L)]n- (where n = 3, or 4; L = glycine, histidine, imidazole, and triglycine) are proposed as evolutionary model of peroxidases. Detailed kinetic investigation for disproportionation of hydrogen peroxide catalysed by [Fe(II)(CN)5(L)]n- complexes at 40 degrees C and pH 9.18 are discussed. Decomposition of hydrogen peroxide catalysed by above complexes conforms to Michaelis-Menten type kinetics.

  12. Cd(II), Zn(II) and Cu(II) Bioadsorption on Chemically Treated Waste Brewery Yeast Biomass: The Role of Functional Groups.

    PubMed

    Tonk, Szende; Nagy, Boldizsár; Török, Anamaria; Indolean, Cerasella; Majdik, Cornelia

    2015-01-01

    Here we study the role of functional groups from waste brewery yeast Saccharomyces cerevisiae cells in the bioadsorption of Cd(2+), Zn(2+) and Cu(2+) ions. In order to clarify the role of these functional groups, the brewery yeast was pretreated chemically, thereby helping to determine the mechanisms responsible for binding the target metals. SEM studies were performed to examine the surface microstructure of the adsorbent in pure as well as pretreated forms. The biomass was characterized using FTIR analysis, which indicated that hydroxyl, carboxyl and amid groups are present on the biomass surface. When carboxyl groups were modified by various chemical treatments, the adsorption capacity decreased dramatically, showing that carboxyl groups play a fundamental role in the bioadsorption process. The residual metallic ion concentrations were determined using an Atomic Absorption Spectrophotometer (AAS). Pseudo-first and second-order kinetic models were used to describe the bioadsorption process. PMID:26454609

  13. 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...

  14. 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

  15. 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.

  16. Chemical composition and antibacterial activity of propolis collected by three different races of honeybees in the same region.

    PubMed

    Silici, Sibel; Kutluca, Semiramis

    2005-05-13

    The chemical analysis and antibacterial activity of three types of propolis collected three different races of Apis mellifera bee in the same apiary were investigated. Propolis samples were investigated by GC/MS, 48 compounds were identified 32 being new for propolis. The compounds identified indicated that the main plant sources of propolis were Populus alba, Populus tremuloides and Salix alba. The antimicrobial activity against Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Candida albicans was evaluated. Ethanolic extracts of propolis samples showed high antibacterial activity against Gram-positive cocci (Staphylococcus aureus), but had a weak activity against Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and yeast (Candida albicans). Propolis sample collected by Apis mellifera caucasica showed a higher antibacterial activity than collected by Apis mellifera anatolica and Apis mellifera carnica.

  17. 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...

  18. 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. PMID:11590742

  19. THE CHEMICAL AND ANTIVIRAL PROPERTIES OF THE SOMATIC ANTIGEN OF PHASE II SHIGELLA SONNEI

    PubMed Central

    Jesaitis, Margeris A.; Goebel, Walther F.

    1952-01-01

    1. The somatic antigen of Phase II Shigella sonnei can be isolated by extracting phenol-killed microorganisms with water. This substance inactivates all T phages to which this bacillus is susceptible. 2. The Phase II antigen is constituted from a protein and a phosphorylated lipocarbohydrate. The major portion of the protein component can be removed by digestion with pancreatin. The enzymatically degraded antigen thus obtained can be further dissociated into its protein and lipocarbohydrate components by treatment with 90 per cent phenol. Glucose, galactose, glucosamine, and an aldoheptose have been identified as the monosaccharide constituents of the lipocarbohydrate. PMID:13000053

  20. 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...

  1. 75 FR 59294 - Agency Information Collection Activities: Proposed Collection; Comments Requested: Application...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-27

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

  2. Thin films of tin(II) sulphide (SnS) by aerosol-assisted chemical vapour deposition (AACVD) using tin(II) dithiocarbamates as single-source precursors

    NASA Astrophysics Data System (ADS)

    Kevin, Punarja; Lewis, David J.; Raftery, James; Azad Malik, M.; O'Brien, Paul

    2015-04-01

    The synthesis of the asymmetric dithiocarbamates of tin(II) with the formula [Sn(S2CNRR')2] (where R=Et, R'=n-Bu (1); R=Me, R'=n-Bu (2); R=R'=Et (3)) and their use for the deposition of SnS thin films by aerosol-assisted chemical vapour deposition (AACVD) is described. The effects of temperature and the concentration of the precursors on deposition were investigated. The stoichiometry of SnS was best at higher concentrations of precursors (250 mM) and at 450 °C. The direct electronic band gap of the SnS produced by this method was estimated from optical absorbance measurements as 1.2 eV. The composition of films was confirmed by powder X-ray diffraction (p-XRD) and energy dispersive analysis of X-rays (EDAX) spectroscopy.

  3. 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.

  4. 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. PMID:22381374

  5. 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.

  6. 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...

  7. Test Driving ToxCast: Endocrine Profiling for 1858 Chemicals Included in Phase II

    PubMed Central

    Filer, Dayne; Patisaul, Heather B.; Schug, Thaddeus; Reif, David; Thayer, Kristina

    2014-01-01

    Identifying chemicals, beyond those already implicated, to test for potential endocrine disruption is a challenge and high throughput approaches have emerged as a potential tool for this type of screening. This review focused the Environmental Protection Agency’s (EPA) ToxCast™ high throughput in vitro screening (HTS) program. Utility for identifying compounds was assessed and reviewed by using it to run the recently expanded chemical library (from 309 compounds to 1858) through the ToxPi™ prioritization scheme for endocrine disruption. The analysis included metabolic and neuroendocrine targets. This investigative approach simultaneously assessed the utility of ToxCast, and helped identify novel chemicals which may have endocrine activity. Results from this exercise suggest the spectrum of environmental chemicals with potential endocrine activity is much broader than indicated, and that some aspects of endocrine disruption are not fully covered in ToxCast. PMID:25460227

  8. 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…

  9. 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 ...

  10. 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 ...

  11. Immobilization of high concentrations of soluble Mn(II) from electrolytic manganese solid waste using inorganic chemicals.

    PubMed

    Du, Bing; Hou, Deyin; Duan, Ning; Zhou, Changbo; Wang, Jun; Dan, Zhigang

    2015-05-01

    Electrolytic manganese solid waste (EMSW) is a by-product of electrolytic manganese production and generally contains a high concentration of soluble Mn(II) (2000-3000 mg/L). Millions of tons of EMSW are stored in China, and the environmental pollution caused by manganese in this waste product is concerning. Unfortunately, little attention has been paid to the immobilization of manganese from industrial solid waste because manganese is absent from toxicological identification standards, and there is a lack of relevant quality standards in China. The objectives of this study were to immobilize soluble Mn(II) using chemical reagents, to analyze the immobilization mechanism, and to identify the most economical reagents. We investigated the immobilization degrees of soluble Mn(II) achieved by the reagents quicklime (CaO), carbonates (NaHCO₃ and Na₂CO₃), phosphates (Na₃PO₄, Na₂HPO₄, NH₄H₂PO₄, and Ca₁₀(PO₄)₆(OH)₂), and caustic magnesia (MgO) both individually and in combination. Our results showed that the use of 9% CaO+ 5% NaHCO₃, 9% CaO+ 5% Na₃PO₄, 10% MgO alone, or with 1-5% NaHCO₃ or 1-5% Na₂CO₃ can reduce the amount of Mn(II) leached to 100 mg/kg when the eluate pH was in the range of 6-9. The most economical reagent treatments were determined using K-means cluster analysis. Analysis of the immobilization mechanism showed that CaO + NaHCO₃ may be favorable for immobilizing soluble Mn(II) as precipitation and oxidation products because the addition of NaHCO₃ releases OH(-) and buffers the system. PMID:25728200

  12. Immobilization of high concentrations of soluble Mn(II) from electrolytic manganese solid waste using inorganic chemicals.

    PubMed

    Du, Bing; Hou, Deyin; Duan, Ning; Zhou, Changbo; Wang, Jun; Dan, Zhigang

    2015-05-01

    Electrolytic manganese solid waste (EMSW) is a by-product of electrolytic manganese production and generally contains a high concentration of soluble Mn(II) (2000-3000 mg/L). Millions of tons of EMSW are stored in China, and the environmental pollution caused by manganese in this waste product is concerning. Unfortunately, little attention has been paid to the immobilization of manganese from industrial solid waste because manganese is absent from toxicological identification standards, and there is a lack of relevant quality standards in China. The objectives of this study were to immobilize soluble Mn(II) using chemical reagents, to analyze the immobilization mechanism, and to identify the most economical reagents. We investigated the immobilization degrees of soluble Mn(II) achieved by the reagents quicklime (CaO), carbonates (NaHCO₃ and Na₂CO₃), phosphates (Na₃PO₄, Na₂HPO₄, NH₄H₂PO₄, and Ca₁₀(PO₄)₆(OH)₂), and caustic magnesia (MgO) both individually and in combination. Our results showed that the use of 9% CaO+ 5% NaHCO₃, 9% CaO+ 5% Na₃PO₄, 10% MgO alone, or with 1-5% NaHCO₃ or 1-5% Na₂CO₃ can reduce the amount of Mn(II) leached to 100 mg/kg when the eluate pH was in the range of 6-9. The most economical reagent treatments were determined using K-means cluster analysis. Analysis of the immobilization mechanism showed that CaO + NaHCO₃ may be favorable for immobilizing soluble Mn(II) as precipitation and oxidation products because the addition of NaHCO₃ releases OH(-) and buffers the system.

  13. 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.

  14. 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...

  15. Availability of epidemiologic data on humans exposed to animal carcinogens. II. Chemical uses and production volume

    SciTech Connect

    Karstadt, M.; Bobal, R.

    1982-01-01

    We report further findings of a survey of manufacturers, processors, and importers of chemicals determined by the International Agency for Research on Cancer (IARC) to be animal carcinogens, but whose carcinogenicity in humans was considered uncertain because of inadequate epidemiologic data. We requested epidemiologic studies from the companies marketing or using any of the 75 IARC animal carcinogens in commerce in the United States. Eighteen of the 75 IARC animal carcinogens had volumes listed of 10(6) lb/year or greater, with 8 of the 13 chemicals for which studies had been completed or are in progress in this ''high volume'' category. The use category with the largest number of chemicals was drugs--19 of the 75 IARC animal carcinogens were in this category. However, none of the 13 chemicals included in epidemiologic studies was a drug. Seven of the 13 chemicals included in studies were used primarily as pesticides. We received little information on dyes and dye intermediates, experimental carcinogens, and drugs, all of which are produced in relatively low volumes; these categories represent 42 of the 75 IARC animal carcinogens. Low volumes and declining usage/production appear to be barriers to performance of epidemiologic studies. Information we received suggests that sometimes the problem of low production volume may be avoided by studying users rather than production workers. Overall, however, we expect few additional epidemiologic studies of the 75 IARC animal carcinogens.

  16. Single Molecule and Collective Dynamics of Motor Protein Coupled with Mechano-Sensitive Chemical Reaction

    NASA Astrophysics Data System (ADS)

    Iwaki, Mitsuhiro; Marcucci, Lorenzo; Togashi, Yuichi; Yanagida, Toshio

    2013-12-01

    Motor proteins such as myosin and kinesin hydrolyze ATP into ADP and Pi to convert chemical energy into mechanical work. This resultsin various motile processes like muscle contraction, vesicle transport and cell division. Recent single molecule experiments have revealed that external load applied to these motor proteins perturb not only the mechanical motion, but the ATP hydrolysis cycle as well, making these molecules mechano-enzymes. Here, we describe our single molecule detection techniques to reveal the mechano-enzymatic properties of myosin and introduce recent progress from both experimental and theoretical approaches at the single- and multiple-molecule level.

  17. 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

  18. 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.

  19. Note on the stochastic theory of a self-catalytic chemical reaction. II

    NASA Astrophysics Data System (ADS)

    Dambrine, S.; Moreau, M.

    1981-04-01

    The general results of article I on the stochastic representation of the macroscopic stationary state of a self-catalytic chemical system are applied to a step-by-step chemical reaction. The relaxation times to the quasi-stationary state and to the final stationary state are computed by evaluating the first two non-trivial eigenvalues of the transition matrix. The previous results of Oppenheim, Shuler and Weiss are confirmed, precised and extended. The critical and subcritical cases are treated by the same method.

  20. 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...

  1. Interpreting In vitro Data for Priortizing Environmental Chemical Concerns: II. Trout and Human ER Gene Expression

    EPA Science Inventory

    A series of p-alkylphenols (p-APs), and select alkoxy, phenyl- and ortho-substituted phenols, were tested in rainbow trout- and human- estrogen receptor (rtER, hER)-mediated gene activation. Chemicals previously tested in ER binding assays optimized for detection of low affinity ...

  2. 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...

  3. 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.

  4. 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...

  5. 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...

  6. Chemical composition of nucleation and accumulation mode particles collected in Vienna, Austria

    NASA Astrophysics Data System (ADS)

    Puxbaum, Hans; Wopenka, Brigitte

    Atmospheric aerosol samples were collected by six-stage low pressure impactors in Vienna downtown. Aerosol particles were deposited on aluminum foils in five size fractions in the size range of 0.04-25 μm AD. The concentration of the components Cl -, Br -, NO 3-, SO 42-, Ca, Cu, Fe, Mg, Pb. Sr, Zn and total C was determined by multi-element analytical methods. A comparison of the relative composition of the size fractions containing nucleation mode and accumulation mode particles showed the components derived from traffic emissions (Pb, Br - and C) to be significantly enriched in the nucleation mode size fraction. On the other hand, each of the components Cl -, SO 42-,Ca, Cu, Fe, Mg and Sr has a similar relative concentration in the nucleation mode and in the accumulation mode size fraction. For all samples collected on days with prevailing westerly winds a strong negative correlation between wind speed and sulfate particle size as well as sulfate concentration was observed.

  7. 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.

  8. Chemical composition and antibacterial activity of the essential oil of Monticalia andicola (Asteraceae) collected in Venezuela.

    PubMed

    Baldovino, Shirley; Rojas, Janne; Rojas, Luis B; Lucena, María; Buitrago, Alexis; Morales, Antonio

    2009-11-01

    The essential oil from the leaves of Monticalia andicola Turcz., collected in November 2008, was analyzed by GC/MS. A yield of 0.15% oil was obtained by hydrodistillation. Thirty-six components were identified by comparison of their mass spectra with those in the Wiley GC-MS Library data base. The major components were alpha-pinene (19.6%), beta-pinene (10.5%), alpha-longipinene (6.5%), delta-3-carene (6.2%), cyperene (5.4%) and beta-phellandrene (5.2%). The antibacterial activity of the essential oil was evaluated against Gram- positive (Staphylococcus aureus ATCC 25923, Enterococcus faecalis ATCC 29212) and Gram-negative (Escherichia coli ATCC 25992, Klebsiella pneumoniae ATCC 23357, Pseudomonas aeruginosa ATCC 27853) bacteria, using the disc diffusion agar method. The results showed a broad spectrum of activity with minimal inhibitory concentration (MIC) values ranging from 10 to 150 microg/mL.

  9. Chemical composition and biological activity of Conyza bonariensis essential oil collected in Mérida, Venezuela.

    PubMed

    Araujo, Liliana; Moujir, Laila M; Rojas, Janne; Rojas, Luis; Carmona, Juan; Rondón, María

    2013-08-01

    The essential oil from aerial parts of Conyza bonariensis (L) Cronquist collected in Mérida was obtained by hydrodistillation and analysed by GC/MS. The major components were trans-beta-farnesene (37.8%), trans-ocimene (20.7%) and beta-sesquiphellandrene (9.8%). Cytotoxicity assay was also performed with the essential oil against HeLa (cervix carcinoma), A-459 (lung carcinoma) and MCF-7 (breast adenocarcinoma) human cell lines and against normal Vero cells (African green monkey kidney) with IC50 values ranging from 1.4 to 45.8 microg/mL. Additionally, the essential oil presented a significant bactericidal effect against Bacillus cereus, while a moderate activity was observed against Staphylococcus epidermidis and Candida albicans.

  10. 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.

  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. Biosolids-amended soils: Part II. Chemical lability as a measure of contaminant bioaccessability.

    PubMed

    Schwab, A P; Lewis, K; Banks, M K

    2006-10-01

    Biosolids recycling by amending agricultural soils has increased significantly over the last few decades. The presence of contaminants in small, bioavailable quantities has generated concerns about health threats resulting from accumulation of potential toxins in the food chain. In this study, land application of biosolids was evaluated for environmental risk. Chemical lability tests for metals were used for the test soils and included analyses for water soluble, exchangeable, and metals extractable by the physiologically based extraction test. Chemical extractions detected slight increases in labile metal concentrations for many of the treated soils, particularly those receiving long-term applications of 5 years or more. Significantly higher metal concentrations were observed in the soils that had been exposed to biosolids before the U.S. Environmental Protection Agency (Washington, D.C.) 503 Rule (U.S. EPA, 2004) was implemented. PMID:17120442

  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. Effect of milk preacidification on low fat mozzarella cheese: II. Chemical and functional properties during storage.

    PubMed

    Metzger, L E; Barbano, D M; Kindstedt, P S; Guo, M R

    2001-06-01

    The effect of milk preacidification on cheese manufacturing, chemical properties, and functional properties of low fat Mozzarella cheese was determined. Four vats of cheese were made in 1 d using no preacidification (control), preacidification to pH 6.0 and pH 5.8 with acetic acid, and preacidification to pH 5.8 with citric acid. This process was replicated four times. Modifications in the typical Mozzarella manufacturing procedures were necessary to accommodate milk preacidification. The chemical composition of the cheeses was similar among the treatments, except the calcium content and calcium as a percentage of protein were lower in the preacidified treatments. During refrigerated storage, the chemical and functional properties of low fat Mozzarella were affected the most by milk preacidification to pH 5.8 with citric acid. The amount of expressible serum, unmelted cheese whiteness, initial unmelted hardness, and initial apparent viscosity were lower with preacidification. The reduction in initial unmelted cheese hardness and initial apparent viscosity in the pH 5.8 citric treatments represents an improvement in the quality of low fat Mozzarella cheese that allows the cheese to have better pizza bake characteristics with shorter time of refrigerated storage.

  15. 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.

  16. Removal of cadmium(II) from aqueous solutions by chemically modified maize straw.

    PubMed

    Guo, Hong; Zhang, Shufen; Kou, Zinong; Zhai, Shangru; Ma, Wei; Yang, Yi

    2015-01-22

    A new regenerable adsorbent was successfully prepared by modifying maize straw (MS) with succinic anhydride in xylene. The succinylated-maize straw (S-MS) was characterized by FTIR, solid-state MAS (13)C NMR spectroscopy, SEM-EDX and point of zero charge analysis. NaS-MS was successfully obtained after deprotonating the carboxylic acid groups of S-MS by Na2CO3 solution. Batch experiments were carried out with NaS-MS for the removal of Cd(II). The effects of pH, adsorbent dosage, contact time, initial concentration and temperature were investigated. The experimental data were best described by a pseudo-second-order kinetics and Langmuir adsorption models. Thermodynamic parameters (ΔG, ΔH, and ΔS) were also calculated from data obtained from experiments performed to study the effect of temperatures. NaS-MS could be regenerated at least five times in saturated NaCl solution without any loss. Furthermore, ∼97% of adsorbed Cd(II) ions could be recovered as the metal oxide. Finally, the adsorption mechanism of NaS-MS was discussed. PMID:25439883

  17. Pb(II) adsorption by biomass from chemically modified aquatic macrophytes, Salvinia sp. and Pistia stratiotes.

    PubMed

    de Moraes Ferreira, Rachel; de Souza, Michael Douglas Peçanha; Takase, Iracema; de Araujo Stapelfeldt, Danielle Marques

    2016-01-01

    This study used two biosorbents obtained from the aquatic plants Salvinia sp. and Pistia stratiotes to establish a sustainable and alternative treatment for industrial wastewater and other water bodies that contain Pb(II). The biosorbent named Salvinia with NaOH (SOH) was obtained from Salvinia sp., and Salvinia and Pistia mixture with NaOH (SPOH) was obtained from a mixture of the two plants in a 1:1 ratio. The biosorbents were characterized by zeta potential, infrared (IR) spectroscopy, scanning electron microscopy (SEM), energy-dispersive spectroscopy and Boehm titration. The results of Boehm titration and IR analysis indicated the presence of basic functional groups, whereas those of SEM analysis indicated that the biosorbents have a structure conducive to adsorption. Batch adsorption experiments were performed to observe the effects of pH, contact time, initial lead concentration and temperature on the metal removal process. The results revealed that the biosorbents efficiently removed Pb(II) from aqueous solutions, with a maximum observed adsorption capacity (saturation limits, qmax) of 202 mg g(-1) and 210.1 mg g(-1) for SPOH and SOH, respectively. The Freundlich, Langmuir and Dubinin-Radushkevich models were applied to the data; these biosorbent studies did not satisfactorily adjust to either of the models, but the information obtained helped us understand the adsorption mechanism. PMID:27232403

  18. 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.

  19. 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

  20. Divergent chemical cues elicit seed collecting by ants in an obligate multi-species mutualism in lowland Amazonia.

    PubMed

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

    2010-12-30

    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.

  1. Comparison of Fe(II) Photo-Formation Characteristics Between Aqueous Humic Acid Solutions and Aqueous Extracts of Atmospheric Aerosols Collected at Okinawa Island, Japan

    NASA Astrophysics Data System (ADS)

    Saito, K.; Okada, K.; Arakaki, T.

    2007-12-01

    Photochemical cycles of Fe(III)-Fe(II) affects the oxidation and the reduction of transient species such as active oxygen species and various transition metals in the atmospheric condensed phases. Although the importance of organic ligands to iron cycling (e.g. ligand-to-metal charge transfer) is becoming clearer, the mechanism by which photochemical reduction of Fe(III) to Fe(II) are not well understood. Humic acid (HA) is considered as an important organic ligand for Fe(III) complexes in the environment. HA is a collection of organic compounds that exist in nature but whose structures are not well known. Commercially available HAs as received from the manufacturers contain trace amount of iron. Using this residual Fe, we investigated the photochemical formation of Fe(II) in aqueous HA solutions to elucidate the photochemical cycles of Fe(III)-Fe(II) in the atmospheric water drops. We purchased HAs from several different suppliers. We investigated the effects of pH and wavelengths on Fe(II) photo-formation using monochromatic radiations at 313, 334, 366, and 405 nm. Concentrations of photochemically formed Fe(II) were determined by ferrozine-HPLC technique, and the apparent quantum yields were determined based on the total absorbance of the HA solutions. Fe(II) photo-formation characteristics of the aqueous humic acid solutions purchased from different suppliers showed slightly different wavelength dependence. Furthermore, we compared Fe(II) photoformation characteristics observed in aqueous HA solutions with those in the aqueous extracts of atmospheric aerosols collected in Okinawa, Japan. The results showed that the apparent quantum yields of the aerosol extracts were 5-10 times higher than those of the HA solutions. Wavelength-dependence of Fe(II) photo-formation observed in the aqueous extracts of aerosols was similar to that seen in the aqueous HA solutions.

  2. 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%).

  3. The chemical composition of atmospheric deposition collected from six Louisiana sites from 1983 to 1992

    NASA Astrophysics Data System (ADS)

    West, L. M.; Feagley, S. E.

    Since 1983, precipitation samples have been collected weekly from six Louisiana sites. Analyses performed included pH, EC, Ca 2+, Na +, Mg 2+, K +, NH 4+, Cl, NO 3-, SO 42-, PO 43-, and precipitation amount. These data were used to determine quarterly and yearly regional trends in precipitation chemistry and deposition. Concentrations of K + (< 0.2 mgℓ -1), Mg 2+ (< 0.02 mgℓ -1) and PO 43- (< 0.5 mgℓ -1) were below detection limits more than 90% of the time. Calcium, Na +, NH 4+, SO 42-, and Cl - had the highest deposition during the spring at most sites. The highest EC values were found in the summer, while the lowest were in the fall. Nitrate deposition was highest in the summer and lowest in the fall. Sulfate and NH 4+ had the least deposition in the fall for most sites. The most acidic pH values were in the summer for all six sites. The lowest precipitation amounts were in the summer and fall, while the highest were in the winter. Yearly deposition amounts of nutrients were not sufficient to meet major crop requirements. Sulfur was deposited in quantities to meet one-half to one-third of its requirement in cotton, rice, soybeans, and wheat.

  4. 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.

  5. The resonance line of B II in IUE spectra of chemically peculiar stars

    NASA Technical Reports Server (NTRS)

    Leckrone, D. S.

    1981-01-01

    A description is presented of high-dispersion spectroscopic observations of eight chemically peculiar stars including Kappa Cnc and Mu Lep, and of one normal comparison star, Nu Cap, in the vicinity of 1362 A. The reported data were obtained with the International Ultraviolet Explorer during the first 15 months of its operation. The initial reduction of the data, which were originally described in a qualitative summary by Leckrone (1980), was affected by a serious error in the calibration of the instrument's intensity transfer function. This error has been corrected in the currently presented data. The results of spectrum syntheses of the 1362 A feature are also described for several of the stars.

  6. Continuous culture of ruminal microorganisms in chemically defined medium. II. Culture medium studies.

    PubMed

    QUINN, L Y; BURROUGHS, W; CHRISTIANSEN, W C

    1962-11-01

    Ruminal ciliates have been grown in continuous culture in chemically defined media and in the absence of viable bacteria. Oligotrichic ruminal ciliates seem to require insoluble carbohydrates for growth; the holotrichic ciliates require soluble carbohydrates, but at low concentrations. Both groups of ciliates utilize amino acids as their principal nitrogen source when these are supplied in micromolar concentrations; at millimolar concentrations, amino acids are toxic, possibly from excessive ammonia formation arising from ciliate deaminase activity. Holotrichic ruminal ciliates are destroyed by overdeposition of amylopectin when glucose is present above 0.1% concentration in the medium. Ecological requirements of ruminal ciliates are also described.

  7. 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

  8. Chemical and statistical interpretation of sized aerosol particles collected at an urban site in Thessaloniki, Greece.

    PubMed

    Tsitouridou, Roxani; Papazova, Petia; Simeonova, Pavlina; Simeonov, Vasil

    2013-01-01

    The size distribution of aerosol particles (PM0.015-PM18) in relation to their soluble inorganic species and total water soluble organic compounds (WSOC) was investigated at an urban site of Thessaloniki, Northern Greece. The sampling period was from February to July 2007. The determined compounds were compared with mass concentrations of the PM fractions for nano (N: 0.015 < Dp < 0.06), ultrafine (UFP: 0.015 < Dp < 0.125), fine (FP: 0.015 < Dp < 2.0) and coarse particles (CP: 2.0 < Dp < 8.0) in order to perform mass closure of the water soluble content for the respective fractions. Electrolytes were the dominant species in all fractions (24-27%), followed by WSOC (16-23%). The water soluble inorganic and organic content was found to account for 53% of the nanoparticle, 48% of the ultrafine particle, 45% of the fine particle and 44% of the coarse particle mass. Correlations between the analyzed species were performed and the effect of local and long-range transported emissions was examined by wind direction and backward air mass trajectories. Multivariate statistical analysis (cluster analysis and principal components analysis) of the collected data was performed in order to reveal the specific data structure. Possible sources of air pollution were identified and an attempt is made to find patterns of similarity between the different sized aerosols and the seasons of monitoring. It was proven that several major latent factors are responsible for the data structure despite the size of the aerosols - mineral (soil) dust, sea sprays, secondary emissions, combustion sources and industrial impact. The seasonal separation proved to be not very specific. PMID:24007436

  9. State-of-the-art of non-hormonal methods of contraception: II. Chemical barrier contraceptives.

    PubMed

    Batár, István

    2010-04-01

    Chemical contraceptives mainly known as spermicides are one of the oldest types of contraceptives. The industrial revolution facilitated new developments, and they became a leading and widespread method. However, their use declined in the second half of the 20th century, and came under focus again only with the upsurge of sexually transmitted infections (STIs). The effectiveness of spermicides depends on the users' compliance and pregnancy rates vary widely: from 6/100 woman-year (with perfect use) to 26/100 woman-year (with typical use). Preparations consist of two components: an excipient (foam, cream, jelly, soluble film, suppository or tablet); and a chemical agent with spermicidal properties (acidic compound, microbicidal agent, detergent). The most widely used active agent has been the surface active (detergent) nonoxynol-9 (N-9). Based on their mode of action (surfactant effect of detergents, enzymatic action of microbicides on cell metabolism) spermicides were thought to provide protection against STIs including HIV. Recent studies have, however, shown that detergents may actually increase the risk. Because of this, there is an urgent need for a suitable non-detergent spermicide, and research should focus on developing new compounds to replace N-9 and other agents having similar undesired effects. This paper reviews the latest studies reporting results on these recent developments. PMID:20055729

  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. A Cu(II)2 Paramagnetic Chemical Exchange Saturation Transfer Contrast Agent Enabled by Magnetic Exchange Coupling.

    PubMed

    Du, Kang; Harris, T David

    2016-06-29

    The ability of magnetic exchange coupling to enable observation of paramagnetic chemical exchange saturation transfer (PARACEST) in transition metal ions with long electronic relaxation times (τs) is demonstrated. Metalation of the dinucleating, tetra(carboxamide) ligand HL with Cu(2+) in the presence of pyrophosphate (P2O7)(4-) affords the complex [LCu(II)2(P2O7)](-). Solution-phase variable-temperature magnetic susceptibility data reveal weak ferromagnetic superexchange coupling between the two S = 1/2 Cu(II) centers, with a coupling constant of J = +2.69(5) cm(-1), to give an S = 1 ground state. This coupling results in a sharpened NMR line width relative to a GaCu analogue, indicative of a shortening of τs. Presaturation of the amide protons in the Cu2 complex at 37 °C leads to a 14% intensity decrease in the bulk water (1)H NMR signal through the CEST effect. Conversely, no CEST effect is observed in the GaCu complex. These results provide the first example of a Cu-based PARACEST magnetic resonance contrast agent and demonstrate the potential to expand the metal ion toolbox for PARACEST agents through introduction of magnetic exchange coupling. PMID:27276533

  12. Combined analysis of chemical bonding in a Cu(II) dimer using QTAIM, Voronoi tessellation and Hirshfeld surface approaches.

    PubMed

    Vologzhanina, Anna V; Kats, Svitlana V; Penkova, Larisa V; Pavlenko, Vadim A; Efimov, Nikolay N; Minin, Vadim V; Eremenko, Igor L

    2015-10-01

    Interaction of 1-(1H-pyrazol-5-yl)ethanone oxime (H2PzOx) with copper(II) chloride in the presence of pyridine afforded a binuclear discrete [Cu2(HPzOx)2Cl2py2] complex, which was characterized by Fourier transform-IR and electron paramagnetic resonance (EPR) spectra, magnetochemistry and high-resolution X-ray diffraction experiments. Multipole refinement of X-ray diffraction data and density-functional theory (DFT) calculations of an isolated molecule allowed charge and spin distributions to be obtained for this compound. Magnetochemistry data, EPR spectra and DFT calculations of an isolated molecule show antiferromagnetic coupling between copper(II) ions. The spin distribution suggests an exchange pathway via the bridging pyrazole ring in the equatorial plane of the CuN4Cl coordination polyhedron, thus providing support for the classical superexchange mechanism; the calculated value of the magnetic coupling constant -2J is equal to 220 cm(-1), which compares well with the experimental value of 203 ± 2 cm(-1). Chemical connectivity was derived by Bader's 'quantum theory of atoms in molecules' and compared with Voronoi tessellation and Hirshfeld surface representations of crystal space. All methodologies gave a similar qualitative and semi-quantitative description of intra- and intermolecular connectivity. PMID:26428404

  13. 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.

  14. 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.

  15. 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

  16. [Chemical composition of fresh bee pollen collected in the Misintá páramo from the Venezuelan Andes].

    PubMed

    Vit, Patricia; Santiago, B

    2008-12-01

    Venezuelan bee pollen has not been characterized, and marketing is not regulated. Pollen is consumed for apitherapeutical purposes for its nutritional and medicinal properties. This product of the hive is the most popular after honey; therefore it is necessary to characterize and to value it to initiate a database to support the proposal of a norm for bee pollen quality control. Samples of bee pollen collected by bees in the Misintá páramo of Mérida state were characterized accoridng to the chemical composition (moisture, ash, fat, pH, proteins) of four color fractions (yellow, orange, ochre, green). Yellow pollen was the most frequent fraction, with 2.18 g ash/100 g, 5.37 g ether extract/100 g, 14.88 g moisture/100 g, and 37.32 g proteins/100 g. PMID:19368304

  17. Spectrophotometric determination of Cu(II) in soil and vegetable samples collected from Abraha Atsbeha, Tigray, Ethiopia using heterocyclic thiosemicarbazone.

    PubMed

    Admasu, Daniel; Reddy, Desam Nagarjuna; Mekonnen, Kebede Nigussie

    2016-01-01

    Two selective and sensitive reagents, 2-acetylpyridine thiosemicarbazone (2-APT) and 3-acetylpyridine thiosemicarbazone (3-APT) were used for the spectrophotometric determination of Cu(II). Both reagents gave yellowish Cu(II) complex at a pH range of 8.0-10.0. Beer's law was obeyed for Cu(II)-2-APT and Cu(II)-3-APT in the concentration range of 0.16-1.3 and 0.44-1.05 µg/mL, respectively. The molar absorptivity and of Cu(II)-2-APT and Cu(II)-3-APT were 2.14 × 10(4) at 370 nm, and 6.7 × 10(3) L/mol cm at 350 nm, respectively, while the Sandell's sensitivity were 0.009 and 0.029 µg/cm(2) in that order. The correlation coefficient of the standard curves of Cu(II)-2-APT and Cu(II)-3-APT were 0.999 and 0.998, respectively. The detection limit of the Cu(II)-2-APT and Cu(II)-3-APT methods were 0.053 and 0.147 µg/mL, respectively. The results demonstrated that the procedure is precise (relative standard deviation <2 %, n = 10). The method was tested for Cu(II) determination in soil and vegetable samples. Comparisons of the results with those obtained using a flame atomic absorption spectrophotometer for Cu(II) determination also tested the validity of the method using paired sample t test at the 0.05 level showing a good agreement between them.

  18. Spectrophotometric determination of Cu(II) in soil and vegetable samples collected from Abraha Atsbeha, Tigray, Ethiopia using heterocyclic thiosemicarbazone.

    PubMed

    Admasu, Daniel; Reddy, Desam Nagarjuna; Mekonnen, Kebede Nigussie

    2016-01-01

    Two selective and sensitive reagents, 2-acetylpyridine thiosemicarbazone (2-APT) and 3-acetylpyridine thiosemicarbazone (3-APT) were used for the spectrophotometric determination of Cu(II). Both reagents gave yellowish Cu(II) complex at a pH range of 8.0-10.0. Beer's law was obeyed for Cu(II)-2-APT and Cu(II)-3-APT in the concentration range of 0.16-1.3 and 0.44-1.05 µg/mL, respectively. The molar absorptivity and of Cu(II)-2-APT and Cu(II)-3-APT were 2.14 × 10(4) at 370 nm, and 6.7 × 10(3) L/mol cm at 350 nm, respectively, while the Sandell's sensitivity were 0.009 and 0.029 µg/cm(2) in that order. The correlation coefficient of the standard curves of Cu(II)-2-APT and Cu(II)-3-APT were 0.999 and 0.998, respectively. The detection limit of the Cu(II)-2-APT and Cu(II)-3-APT methods were 0.053 and 0.147 µg/mL, respectively. The results demonstrated that the procedure is precise (relative standard deviation <2 %, n = 10). The method was tested for Cu(II) determination in soil and vegetable samples. Comparisons of the results with those obtained using a flame atomic absorption spectrophotometer for Cu(II) determination also tested the validity of the method using paired sample t test at the 0.05 level showing a good agreement between them. PMID:27512628

  19. Recovery of Cu(II) by chemical reduction using sodium dithionite: effect of pH and ligands.

    PubMed

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

    2015-01-01

    Wastewaters containing Cu(II) and ligands are ubiquitous in various industrial sectors, and efficacy of copper removal processes, especially precipitation, is greatly compromised by ligands. Chemical reduction, being commonly employed for production of metal nanoparticles, is also effective for metal removal. Adjustment of pH and addition of ligands are important to control the particle size in metallic nanoparticle production. Exploiting the fact that ligands and metals coexist in many wastewaters, chemical reduction was employed to treat ligand-containing wastewater in this study. The experimental result shows that depending on pH, type of ligands, and copper:ligand molar ratio, copper could be removed by either the reduction or precipitation mechanism. Almost complete copper removal could be achieved by the reduction mechanism under optimal condition for solutions containing either EDTA (ethylenediaminetetraacetic acid) or citrate ligands. For solutions containing ammonia, depending on pH and Cu:ammonia molar ratio, copper was removed by both precipitation and reduction mechanisms. At pH of 9.0, formation of nano-sized particles, which readily pass through a 0.45 μm filter used for sample pretreatment before residual copper analysis, results in the lowest copper removal efficiency. Both cuprous oxide and metallic copper are identified in the solids produced, and the possible explanations are provided. PMID:26606104

  20. 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.

  1. Quantum chemical topology study of the water-platinum(II) interaction.

    PubMed

    Bergès, Jacqueline; Fourré, Isabelle; Pilmé, Julien; Kozelka, Jiri

    2013-02-01

    The "inverse hydration" of neutral complexes of Pt(II) by an axial water molecule, whose one OH-bond is oriented toward Pt, has been the subject of recent works, theoretical as well as experimental. To study the influence of the ligands on this non-conventional H-bond, we extend here our previous energy calculations, using the second-order Moeller-Plesset perturbation theory (MP2) method together with the Dolg-Pélissier pseudopotential for platinum, to various neutral complexes including the well-known chemotherapeutic agent "cisplatin". The stabilization energy, depending on the nature and the configuration of platinum ligands, is dominated by the same important dispersive component, for all the investigated complexes. For a further characterization of this particular H-bond, we used the atoms in molecules theory (AIM) and the topological analysis of the electron localization function (ELF). The charge transfer occurring from the complex to the water molecule and the Laplacian of the density at the bond critical point between water and Pt are identified as interesting AIM descriptors of this non-conventional H-bond. Beyond this AIM analysis, we show that the polarization of the ELF bonding O-H basin involved in the non-conventional H-bond is enhanced during the approach of the water molecule to the Pt complexes. When the water medium, treated in an implicit solvation model, is taken into account, the interaction energies become independent on the nature and configuration of platinum ligands. However, the topological descriptors remain qualitatively unchanged. PMID:23347164

  2. Quantum chemical topology study of the water-platinum(II) interaction.

    PubMed

    Bergès, Jacqueline; Fourré, Isabelle; Pilmé, Julien; Kozelka, Jiri

    2013-02-01

    The "inverse hydration" of neutral complexes of Pt(II) by an axial water molecule, whose one OH-bond is oriented toward Pt, has been the subject of recent works, theoretical as well as experimental. To study the influence of the ligands on this non-conventional H-bond, we extend here our previous energy calculations, using the second-order Moeller-Plesset perturbation theory (MP2) method together with the Dolg-Pélissier pseudopotential for platinum, to various neutral complexes including the well-known chemotherapeutic agent "cisplatin". The stabilization energy, depending on the nature and the configuration of platinum ligands, is dominated by the same important dispersive component, for all the investigated complexes. For a further characterization of this particular H-bond, we used the atoms in molecules theory (AIM) and the topological analysis of the electron localization function (ELF). The charge transfer occurring from the complex to the water molecule and the Laplacian of the density at the bond critical point between water and Pt are identified as interesting AIM descriptors of this non-conventional H-bond. Beyond this AIM analysis, we show that the polarization of the ELF bonding O-H basin involved in the non-conventional H-bond is enhanced during the approach of the water molecule to the Pt complexes. When the water medium, treated in an implicit solvation model, is taken into account, the interaction energies become independent on the nature and configuration of platinum ligands. However, the topological descriptors remain qualitatively unchanged.

  3. Features in chemical kinetics. II. A self-emerging definition of slow manifolds.

    PubMed

    Nicolini, Paolo; Frezzato, Diego

    2013-06-21

    In the preceding paper of this series (Part I [P. Nicolini and D. Frezzato, J. Chem. Phys. 138, 234101 (2013)]) we have unveiled some ubiquitous features encoded in the systems of polynomial differential equations normally applied in the description of homogeneous and isothermal chemical kinetics (mass-action law). Here we proceed by investigating a deeply related feature: the appearance of so-called slow manifolds (SMs) which are low-dimensional hyper-surfaces in the neighborhood of which the slow evolution of the reacting system occurs after an initial fast transient. Indeed a geometrical definition of SM, devoid of subjectivity, "naturally" follows in terms of a specific sub-dimensional domain embedded in the peculiar region of the concentrations phase-space that in Part I we termed as "attractiveness region." Numerical inspections on simple low-dimensional model cases are presented, including the benchmark case of Davis and Skodje [J. Chem. Phys. 111, 859 (1999)] and the preliminary analysis of a simplified model mechanism of hydrogen combustion. PMID:23802946

  4. THE DUAL ORIGIN OF STELLAR HALOS. II. CHEMICAL ABUNDANCES AS TRACERS OF FORMATION HISTORY

    SciTech Connect

    Zolotov, Adi; Hogg, David W.; Willman, Beth; Brooks, Alyson M.; Shen, Sijing; Wadsley, James E-mail: bwillman@haverford.ed

    2010-09-20

    Fully cosmological, high-resolution N-body+smooth particle hydrodynamic simulations are used to investigate the chemical abundance trends of stars in simulated stellar halos as a function of their origin. These simulations employ a physically motivated supernova feedback recipe, as well as metal enrichment, metal cooling, and metal diffusion. As presented in an earlier paper, the simulated galaxies in this study are surrounded by stellar halos whose inner regions contain both stars accreted from satellite galaxies and stars formed in situ in the central regions of the main galaxies and later displaced by mergers into their inner halos. The abundance patterns ([Fe/H] and [O/Fe]) of halo stars located within 10 kpc of a solar-like observer are analyzed. We find that for galaxies which have not experienced a recent major merger, in situ stars at the high [Fe/H] end of the metallicity distribution function are more [{alpha}/Fe]-rich than accreted stars at similar [Fe/H]. This dichotomy in the [O/Fe] of halo stars at a given [Fe/H] results from the different potential wells within which in situ and accreted halo stars form. These results qualitatively match recent observations of local Milky Way halo stars. It may thus be possible for observers to uncover the relative contribution of different physical processes to the formation of stellar halos by observing such trends in the halo populations of the Milky Way and other local L{sup *} galaxies.

  5. 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

  6. 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

    2012-09-01

    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 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

  7. 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.

  8. Contact of clay-liner materials with acidic tailings. II. Chemical modeling

    SciTech Connect

    Peterson, S.R.; Krupka, K.M.

    1981-09-01

    The ion speciation-solubility model WATEQ3 was used to model original aqueous solutions and solutions resulting from liner materials contacted with uranium mill tailings, synthetic mill tailings or H/sub 2/SO/sub 4/. The modeling results indicate solution species which are in apparent equilibrium with respect to particular solids. These solids provide potential solubility controls for their corresponding dissolved constituents. The disequilibrium indices computed by WATEQ3 indicate amorphic Fe(OH)/sub 3/(A), Al0HO/sub 4/, alunite (KA1/sub 3/(SO/sub 4/)/sub 2/(OH)/sub 6/), gypsum (CaSO/sub 4/ . 2H/sub 2/O), celestite (SrSO/sub 4/), anglesite (PbSO/sub 4/) and MnHPO/sub 4/ may have precipitated in the contacted liner materials and may also provide solubility controls for their dissolved constituents. The disequilibrium indices also show that the solutions resulting from the interaction of Highland Mill tailings are oversaturated with K-, H-, and Na-jarosites ((K,H,Na)Fe/sub 3/(SO/sub 4/)/sub 2/(OH)/sub 6/). Because jarosite has been identified by x-ray diffraction as a precipitate in these reacted liner materials, it would appear that there is a kinetic barrier which prohibits jarosite from being an effective solubility control. Results of this study also show that the solubilities of many solid phases were pH dependent. This exploratory use of geochemical modeling has demonstrated its capability to test solubility hypotheses for clay liners reacted with tailings solutions and to guide the analyses of important constituents and parameters for these solutions. Geochemical modeling can be used, in parallel with characterization techniques for the solid phases, to support the presence of the solid phase and to guide the search for further solid phases. Geochemical modeling is also an effective tool in delineating the chemical causes for changes in permeability of liner materials.

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. [Chemical characteristics and sources of trace metals in precipitation collected from a typical industrial city in Northern China].

    PubMed

    Li, Yue-Mei; Pan, Yue-Peng; Wang, Yue-Si; Wang, Ying-Feng; Li, Xing-Ru

    2012-11-01

    To investigate the chemical characteristics and possible sources of trace metals in precipitation of Tangshan, a typical industrial city in Northern China, precipitation samples were collected using an automated wet-only sampler for one year from December 2009 to November 2010 and subjected to chemical analysis using ICP-MS. The results showed that crustal elements (Ca, Mg, Na, K, Fe and Al) accounted for 97.72% of the total concentrations while heavy metals (Zn, Mn, Pb, Ba, Sb, Cu, Ni, As, V, Co and Se) only contributed 2.25% of the total. Zinc was the most abundant heavy metal and calcium had the highest concentration among the crustal elements, with volume-weighted mean concentrations of 88.7 microg x L(-1) and 4.5 mg x L(-1), respectively. Seasonal variations of trace metals were significant, with higher values observed in winter and spring than in summer and autumn. The calculation of crustal enrichment factors with Al as the reference element indicated that Tl, As, Ag, Zn, Pb, Cd, Se and Sb were mainly derived from anthropogenic sources and the enrichment factor values of those elements ranged from 10(2) to 10(5). In addition, the concentrations of heavy metals such as Pb, Cu and Ni in precipitation of Tangshan city were higher than those reported for Mt. Tai. The results of principle component analysis demonstrated that steel smelting emissions, fugitive dusts and coal combustion were probably the major contributors of trace metals in the precipitation of Tangshan City.

  14. 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.

  15. 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.

  16. Biological and chemical detection of fumonisins produced on agar medium by Fusarium verticillioides isolates collected from corn in Sohag, Egypt.

    PubMed

    Aboul-Nasr, M B; Obied-Allah, M R A

    2013-08-01

    Fusarium verticillioides (Sacc.) Nirenberg is among the most common Fusarium species corn pathogens worldwide, and has been recognized as a fumonisin B1 (FB1) and fumonisin B2 (FB2) producer. In the present work, extracts of 58 F. verticillioides isolates from corn samples collected from Sohag Governorate, Egypt, were tested for their biotoxicity and production of fumonisin toxins. Forty-four Fusarium verticillioides isolates out of 58 tested produced FB1 or FB1 and FB2 (15 and 29 isolates, respectively) on potato-sucrose agar medium, detected by TLC, whereas the other 14 isolates did not produce fumonisin toxins. HPLC crude extract analysis confirmed the results from TLC plates. Brine shrimp larvae as well as the Gram-negative bacteria Pseudomonas aeuroginosa showed low bio-sensitivity towards the F. verticillioides crude extract toxicity, whereas the Gram-positive bacteria Bacillus cereus and Bacillus subtilis, especially B. subtilis, showed higher sensitivity towards the tested Fusarium crude extracts. These results enabled us to bio-evaluate and chemically detect fumonisin mycotoxins using a simple agar medium technique. PMID:23760819

  17. 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).

  18. Biological and chemical detection of fumonisins produced on agar medium by Fusarium verticillioides isolates collected from corn in Sohag, Egypt.

    PubMed

    Aboul-Nasr, M B; Obied-Allah, M R A

    2013-08-01

    Fusarium verticillioides (Sacc.) Nirenberg is among the most common Fusarium species corn pathogens worldwide, and has been recognized as a fumonisin B1 (FB1) and fumonisin B2 (FB2) producer. In the present work, extracts of 58 F. verticillioides isolates from corn samples collected from Sohag Governorate, Egypt, were tested for their biotoxicity and production of fumonisin toxins. Forty-four Fusarium verticillioides isolates out of 58 tested produced FB1 or FB1 and FB2 (15 and 29 isolates, respectively) on potato-sucrose agar medium, detected by TLC, whereas the other 14 isolates did not produce fumonisin toxins. HPLC crude extract analysis confirmed the results from TLC plates. Brine shrimp larvae as well as the Gram-negative bacteria Pseudomonas aeuroginosa showed low bio-sensitivity towards the F. verticillioides crude extract toxicity, whereas the Gram-positive bacteria Bacillus cereus and Bacillus subtilis, especially B. subtilis, showed higher sensitivity towards the tested Fusarium crude extracts. These results enabled us to bio-evaluate and chemically detect fumonisin mycotoxins using a simple agar medium technique.

  19. 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...

  20. Close vicinity of Lhc b1 and Lhc b4 in Photosystem II--membrane fragments as verified by chemical cross-linking.

    PubMed

    Miao, J; Irrgang, K D; Salnikow, J; Franke, P; Vater, J

    1998-11-01

    The nearest neighbourhood of pigment-protein complexes within Photosystem II (PSII) membrane fragments has been studied by means of chemical cross-linking with o-phthalaldehyde (OPA) in conjunction with protein-chemical techniques. By means of OPA-induced cross-linking a major conjugate of about 60 kDa has been identified. This conjugate was shown to consist of two pigment-protein complexes of light-harvesting complex II (LHC II), Lhc b1 (CP27) and Lhc b4 (CP29) by means of SDS/PAGE in combination with an immunological analysis using mAbs directed against Lhc b4 and by matrix-assisted-laser-desorption-ionization mass spectrometry (MALDI-MS) and sequence analysis of peptides derived from a proteolytic digest of the conjugate. Domains of Lhc bl and Lhc b4 have been localized to a distance of not more than 5 A within LHC II. Our results are discussed in the light of recent models on the topography of the two subunits within the antenna system of Photosystem II.

  1. 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

  2. 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

  3. 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

  4. Unsymmetrical Fe(III)Co(II) and Ga(III)Co(II) complexes as chemical hydrolases: biomimetic models for purple acid phosphatases (PAPs).

    PubMed

    Xavier, Fernando R; Neves, Ademir; Casellato, Annelise; Peralta, Rosely A; Bortoluzzi, Adailton J; Szpoganicz, Bruno; Severino, Patricia C; Terenzi, Hernán; Tomkowicz, Zbigniew; Ostrovsky, Sergei; Haase, Wolfgang; Ozarowski, Andrew; Krzystek, Jerzy; Telser, Joshua; Schenk, Gerhard; Gahan, Lawrence R

    2009-08-17

    The design and development of suitable biomimetic catalytic systems capable of mimicking the functional properties of enzymes continues to be a challenge for bioinorganic chemists. In this study, we report on the synthesis, X-ray structures, and physicochemical characterization of the novel isostructural [Fe(III)Co(II)(BPBPMP)(mu-OAc)(2)]ClO(4) (1) and [Ga(III)Co(II)(BPBPMP)(mu-OAc)(2)]ClO(4) (2) complexes with the unsymmetrical dinucleating ligand H(2)BPBPMP (2-bis[{(2-pyridyl-methyl)-aminomethyl}-6-{(2-hydroxy-benzyl)-(2-pyridyl-methyl)}-aminomethyl]-4-methylphenol). The previously reported complex [Fe(III)Zn(II)(BPBPMP)(mu-OAc)(2)]ClO(4) (3) was investigated here by electron paramagnetic resonance for comparison with such studies on 1 and 2. A magneto-structural correlation between the exchange parameter J (cm(-1)) and the average bond lengh d (A) of the [Fe(III)-O-M(II)] structural unit for 1 and for related isostructural Fe(III)M(II) complexes using the correlation J = -10(7) exp(-6.8d) reveals that this parameter is the major factor that determines the degree of antiferromagnetic coupling in the series [(BPBPMP)Fe(III)(mu-OAc)(2)M(II)](+) (M(II) = Mn, Fe, Co, Ni) of complexes. Potentiometric and spectrophotometric titrations along with electronic absorption studies show that, in aqueous solution, complexes 1 and 2 generate the [(HO)M(III)(mu-OH)Co(II)(H(2)O)] complex as the catalytically active species in diester hydrolysis reactions. Kinetic studies on the hydrolysis of the model substrate bis(2,4-dinitrophenyl)phosphate by 1 and 2 show Michaelis-Menten behavior, with 2 being 35% more active than 1. In combination with k(H)/k(D) isotope effects, the kinetic studies suggest a mechanism in which a terminal M(III)-bound hydroxide is the hydrolysis-initiating nucleophilic catalyst. In addition, the complexes show maximum catalytic activity in DNA hydrolysis near physiological pH. The modest reactivity difference between 1 and 2 is consistent with the slightly

  5. 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.

  6. 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...

  7. Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.

    PubMed

    Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar

    2013-06-21

    A series of water soluble copper(II) complexes of the types [Cu(L)Cl] 1-2, where LH is 2-(2-(1H-benzimidazol-2-yl)ethyliminomethyl)phenol (H(L1)), and 2-(2-(1H-benzimidazol-2-yl)-ethyliminomethyl)-4-methylphenol (H(L2)), and [Cu(L)Cl2] 3-6, where L is (2-pyridin-2-yl-ethyl)pyridin-2-ylmethyleneamine (L3), 2-(1H-benzimidazol-2-yl)ethylpyridin-2-yl-methyleneamine (L4), 2-(1H-benzimidazol-2-yl)ethyl(1H-imidazol-2-ylmethylene)amine (L5), and 2-(1H-benzimidazol-2-yl)ethyl-(4,4a-dihydroquinolin-2-ylmethylene)amine (L6), have been isolated and characterized by elemental analysis, electronic absorption, ESI-MS and EPR spectral techniques and the electrochemical method. The single crystal X-ray structures of [Cu(L1)Cl] 1 and [Cu(L2)Cl] 2 possess a distorted square-based coordination geometry while [Cu(L4)Cl2] 4 and [Cu(L6)Cl2] 6 possess a distorted trigonal bipyramidal coordination geometry. Both absorption spectral titration and an EthBr displacement assay reveal that all the complexes bind with calf thymus (CT) DNA through covalent mode of DNA interaction involving the replacement of an easily removable chloride ion with DNA nucleobases. All the complexes exhibit oxidative cleavage of supercoiled (SC) plasmid DNA in the presence of hydrogen peroxide as an activator. It is remarkable that at 50 μM concentration 5 and 6 completely degrade SC DNA into undetectable minor fragments and thus they act as efficient chemical nucleases. All the complexes are remarkable in displaying cytotoxicity against the HBL-100 human breast cancer cell line with potency more than that of the widely used drug cisplatin and hence they have the potential to act as promising anticancer drugs. Interestingly, they are non-toxic to normal cell lymphocytes isolated from human blood samples, revealing that they are selective in killing only the cancer cells. PMID:23612925

  8. Electrochromic and colorimetric properties of nickel(II) oxide thin films prepared by aerosol-assisted chemical vapor deposition.

    PubMed

    Sialvi, Muhammad Z; Mortimer, Roger J; Wilcox, Geoffrey D; Teridi, Asri Mat; Varley, Thomas S; Wijayantha, K G Upul; Kirk, Caroline A

    2013-06-26

    Aerosol-assisted chemical vapor deposition (AACVD) was used for the first time in the preparation of thin-film electrochromic nickel(II) oxide (NiO). The as-deposited films were cubic NiO, with an octahedral-like grain structure, and an optical band gap that decreased from 3.61 to 3.48 eV on increase in film thickness (in the range 500-1000 nm). On oxidative voltammetric cycling in aqueous KOH (0.1 mol dm(-3)) electrolyte, the morphology gradually changed to an open porous NiO structure. The electrochromic properties of the films were investigated as a function of film thickness, following 50, 100, and 500 conditioning oxidative voltammetric cycles in aqueous KOH (0.1 mol dm(-3)). Light modulation of the films increased with the number of conditioning cycles. The maximum coloration efficiency (CE) for the NiO (transmissive light green, the "bleached" state) to NiOOH (deep brown, the colored state) electrochromic process was found to be 56.3 cm(2) C(-1) (at 450 nm) for films prepared by AACVD for 15 min followed by 100 "bleached"-to-colored conditioning oxidative voltammetric cycles. Electrochromic response times were <10 s and generally longer for the coloration than the bleaching process. The films showed good stability when tested for up to 10 000 color/bleach cycles. Using the CIE (Commission Internationale de l'Eclairage) system of colorimetry the color stimuli of the electrochromic NiO films and the changes that take place on reversibly oxidatively switching to the NiOOH form were calculated from in situ visible spectra recorded under electrochemical control. Reversible changes in the hue and saturation occur on oxidation of the NiO (transmissive light green) form to the NiOOH (deep brown) form, as shown by the track of the CIE 1931 xy chromaticity coordinates. As the NiO film is oxidized, a sharp decrease in luminance was observed. CIELAB L*a*b* coordinates were also used to quantify the electrochromic color states. A combination of a low L* and positive a

  9. Studies examining the relationship between the chemical structure of protoxin II and its activity on voltage gated sodium channels.

    PubMed

    Park, Jae H; Carlin, Kevin P; Wu, Gang; Ilyin, Victor I; Musza, Laszlo L; Blake, Paul R; Kyle, Donald J

    2014-08-14

    The aqueous solution structure of protoxin II (ProTx II) indicated that the toxin comprises a well-defined inhibitor cystine knot (ICK) backbone region and a flexible C-terminal tail region, similar to previously described NaSpTx III tarantula toxins. In the present study we sought to explore the structure-activity relationship of the two regions of the ProTx II molecule. As a first step, chimeric toxins of ProTx II and PaTx I were synthesized and their biological activities on Nav1.7 and Nav1.2 channels were investigated. Other tail region modifications to this chimera explored the effects of tail length and tertiary structure on sodium channel activity. In addition, the activity of various C-terminal modifications of the native ProTx II was assayed and resulted in the identification of protoxin II-NHCH3, a molecule with greater potency against Nav1.7 channels (IC50=42 pM) than the original ProTx II. PMID:25026046

  10. Chemical analyses of surface water in Illinois, 1958-74; Volume II, Illinois River basin and Mississippi River tributaries north of Illinois River basin

    USGS Publications Warehouse

    Healy, R.W.; Toler, L.G.

    1978-01-01

    Samples of surface water were collected and analyzed by the Illinois Environmental Protection Agency and its predecessor, the Stream Pollution Control Bureau of the Illinois Department of Public Health. The results for the period 1958 to 1974 are presented in tabular form and the history of sampling and analytical methods are included for all sites where samples were collected at gaging stations or near enough that reliable discharge estimates could be made. The report is contained in three volumes. This volume (Volume II) includes Illinois River basin and Mississippi River tributaries north of Illinois River basin. (See also W78-10034 and W78-10036) (Woodard-USGS)

  11. 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...

  12. 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.

  13. 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 ...

  14. Roles of basolateral solute uptake via NKCC1 and of myosin II in vasopressin-induced cell swelling in inner medullary collecting duct.

    PubMed

    Chou, Chung-Lin; Yu, Ming-Jiun; Kassai, Eliza M; Morris, Ryan G; Hoffert, Jason D; Wall, Susan M; Knepper, Mark A

    2008-07-01

    Collecting duct cells swell when exposed to arginine vasopressin (AVP) in the presence of a transepithelial osmolality gradient. We investigated the mechanisms of AVP-induced cell swelling in isolated, perfused rat inner medullary collecting ducts (IMCDs) using quantitative video microscopy and fluorescence-based measurements of transepithelial water transport. We tested the roles of transepithelial water flow, basolateral solute entry, and the cytoskeleton (actomyosin). When a transepithelial osmolality gradient was imposed by addition of NaCl to the bath, AVP significantly increased both water flux and cell height. When the osmolality gradient was imposed by addition of mannitol, AVP increased water flux but not cell height, suggesting that AVP-induced cell swelling requires a NaCl gradient and is not merely dependent on the associated water flux. Bumetanide (Na-K-2Cl cotransporter inhibitor) added to the bath markedly diminished the AVP-induced cell height increase. AVP-induced cell swelling was absent in IMCDs from NKCC1-knockout mice. In rat IMCDs, replacement of Na, K, or Cl in the peritubular bath caused significant cell shrinkage, consistent with a basolateral solute transport pathway dependent on all three ions. Immunocytochemistry using an antibody to NKCC1 confirmed basolateral expression in IMCD cells. The conventional nonmuscle myosin II inhibitor blebbistatin also diminished the AVP-induced cell height increase and cell shape change, consistent with a role for the actin cytoskeleton and myosin II. We conclude that the AVP-induced cell height increase is dependent on basolateral solute uptake via NKCC1 and changes in actin organization via myosin II, but is not dependent specifically on increased apical water entry.

  15. 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. PMID:25534626

  16. 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.

  17. A technique for collecting saliva from the cattle-tick Boophilus microplus (Canestrini, 1887) using chemical stimulation. Environmental and temporal influences on secretion yield.

    PubMed

    Bechara, G H; Szabó, M P; Machado, R Z; Rocha, U F

    1988-01-01

    1. Injection of a pilocarpine solution into the hemocoele of female B. microplus through the respiratory spiracle induced the flow of limpid saliva, collected from the mouth parts with a capillary tube. 2. The time interval between the detachment of the tick from its host and chemical stimulation influenced the volume of saliva secreted; secretion was greater during the first 2 h after detachment. 3. There is a positive correlation between salivary yield and both environmental temperature and relative humidity.

  18. 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. PMID:25554361

  19. [The influence of spray drying process conditions on physical, chemical properties and lung inhaling performance of Panax notoginseng saponins - tanshinone II A composite particles].

    PubMed

    Wang, Hua-Mei; Fu, Ting-Ming; Guo, Li-Wei

    2013-06-01

    This study is to report the influence of conditions in spray drying process on physical and chemical properties and lung inhaling performance of Panax notoginseng Saponins - Tanshinone II A composite particles. According to the physical and chemical properties of the two types of components within the composite particles, three solvent systems were selected including ethanol, ethanol : acetone (9 : 1, v/v) and ethanol : acetone (4 : 1, v/v), and three inlet temperature: 110 degrees C, 120 degrees C, 130 degrees C to prepare seven different composite particle samples; each sample was characterized using laser diffraction, scanning electron microscopy (SEM), dynamic vapour sorption (DVS) and atomic force microscope (AFM), and their aerodynamic behavior was evaluated by a Next Generation Impactor (NGI). The results indicate that under the conditions of using the mixed solvent system of ethanol--acetone volume ratio of 9 : 1, and the inlet temperature of 110 degrees C, the resulting composite particles showed rough surface, with more tanshinone II A distributing in the outer layer, such composite particles have the best lung inhaling performance and the fine particle fraction (FPF) close to 60%. Finally it is concluded that by adjusting the conditions in co-spray drying process, the distribution amount and existence form of tanshinone II A in the outer layer of the particles can be changed so that to enhance lung inhaling performance of the drug composite particles.

  20. The Chloroplast Function Database II: a comprehensive collection of homozygous mutants and their phenotypic/genotypic traits for nuclear-encoded chloroplast proteins.

    PubMed

    Myouga, Fumiyoshi; Akiyama, Kenji; Tomonaga, Yumi; Kato, Aya; Sato, Yuka; Kobayashi, Megumi; Nagata, Noriko; Sakurai, Tetsuya; Shinozaki, Kazuo

    2013-02-01

    The Chloroplast Function Database has so far offered phenotype information on mutants of the nuclear-encoded chloroplast proteins in Arabidopsis that pertains to >200 phenotypic data sets that were obtained from 1,722 transposon- or T-DNA-tagged lines. Here, we present the development of the second version of the database, which is named the Chloroplast Function Database II and was redesigned to increase the number of mutant characters and new user-friendly tools for data mining and integration. The upgraded database offers information on genome-wide mutant screens for any visible phenotype against 2,495 tagged lines to create a comprehensive homozygous mutant collection. The collection consists of 147 lines with seedling phenotypes and 185 lines for which we could not obtain homozygotes, as well as 1,740 homozygotes with wild-type phenotypes. Besides providing basic information about primer lists that were used for the PCR genotyping of T-DNA-tagged lines and explanations about the preparation of homozygous mutants and phenotype screening, the database includes access to a link between the gene locus and existing publicly available databases. This gives users access to a combined pool of data, enabling them to gain valuable insights into biological processes. In addition, high-resolution images of plastid morphologies of mutants with seedling-specific chloroplast defects as observed with transmission electron microscopy (TEM) are available in the current database. This database is used to compare the phenotypes of visually identifiable mutants with their plastid ultrastructures and to evaluate their potential significance from characteristic patterns of plastid morphology in vivo. Thus, the Chloroplast Function Database II is a useful and comprehensive information resource that can help researchers to connect individual Arabidopsis genes to plastid functions on the basis of phenotype analysis of our tagged mutant collection. It can be freely accessed at http://rarge.psc.riken.jp/chloroplast/.

  1. 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

  2. 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.

  3. Physico-chemical property of rare earths-effects on the energy regulation of photosystem II in Arabidopsis thaliana.

    PubMed

    Xiaoqing, Liu; Hao, Huang; Chao, Liu; Min, Zhou; Fashui, Hong

    2009-08-01

    Photosystem II (PSII) from Arabidopsis thaliana treated by lanthanum (La(3+)), cerium (Ce(3+)), and neodymium (Nd(3+)) were isolated to investigate the effects of 4f electron characteristics and alternation valence of rare earth elements (REEs) on PSII function regulation comparatively. Results showed that REE treatment could induce the generous expression of LhcII b in A. thaliana and increase the content of light-harvesting complex II and its trimer on the thylakoid membrane significantly. Meanwhile, the light absorption in the red and blue region and fluorescence quantum yield near 683 nm were obviously increased; oxygen evolution rate was greatly improved too, suggesting that REEs could enhance the efficiency of light absorption, regulate excitation energy distribution from photosystem I (PSI) to PSII, and thus increase the activity of photochemical reaction and oxygen evolution accordingly. The efficiency order of the four treatments was Ce(3+) > Nd(3+) > La(3+) > control.

  4. 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.

  5. The population of planetary nebulae and H II regions in M 81. A study of radial metallicity gradients and chemical evolution

    NASA Astrophysics Data System (ADS)

    Stanghellini, L.; Magrini, L.; Villaver, E.; Galli, D.

    2010-10-01

    Context. M 81 is an ideal laboratory to investigate the galactic chemical and dynamical evolution through the study of its young and old stellar populations. Aims: We analyze the chemical abundances of planetary nebulae and H ii regions in the M 81 disk for insight on galactic evolution, and compare it with that of other galaxies, including the Milky Way. Methods: We acquired Hectospec/MMT spectra of 39 PNe and 20 H ii regions, with 33 spectra viable for temperature and abundance analysis. Our PN observations represent the first PN spectra in M 81 ever published, while several H ii region spectra have been published before, although without a direct electron temperature determination. We determine elemental abundances of helium, nitrogen, oxygen, neon, sulfur, and argon in PNe and H ii regions, and determine their averages and radial gradients. Results: The average O/H ratio of PNe compared to that of the H ii regions indicates a general oxygen enrichment in M 81 in the last ~10 Gyr. The PN metallicity gradient in the disk of M 81 is Δlog(O/H)/ΔRG = -0.055 ± 0.02 dex/kpc. Neon and sulfur in PNe have a radial distribution similar to that of oxygen, with similar gradient slopes. If we combine our H ii sample with the one in the literature we find a possible mild evolution of the gradient slope, with results consistent with gradient steepening with time. Additional spectroscopy is needed to confirm this trend. There are no type I PNe in our M 81 sample, consistently with the observation of only the brightest bins of the PNLF, the galaxy metallicity, and the evolution of post-AGB shells. Conclusions: Both the young and the old populations of M 81 disclose shallow but detectable negative radial metallicity gradient, which could be slightly steeper for the young population, thus not excluding a mild gradients steepening with the time since galaxy formation. During its evolution M 81 has been producing oxygen; its total oxygen enrichment exceeds that of other nearby

  6. (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.

  7. Physico-chemical characterisation of the modifications I and II of (R,S) propranolol hydrochloride: solubility and dissolution studies.

    PubMed

    Bartolomei, M; Bertocchi, P; Ramusino, M C; Santucci, N; Valvo, L

    1999-11-01

    The crystallisation conditions and the physicochemical properties of the modifications I and II of (R,S) propranolol hydrochloride were investigated. Detailed methods of preparation of the two forms were described. Data from FTIR spectroscopy, X-ray powder diffraction, thermal analysis, solubility and dissolution studies were used for the identification and the characterisation of the two forms. The forms I and II were easily differentiated by their IR spectra, X-ray patterns and thermal behaviour. The two polymorphs were found to be enantiotropically related to each other. Their stability was followed at room temperature over a period of 1 year and under different conditions of temperature, grinding and compression to verify the tendency to solid solid transition and to study the existence range of the two forms. The equilibrium solubilities of the two polymorphs in n-octanol were determined as well as their dissolution profiles as pellets in aqueous medium. These studies showed that form I, the less thermodynamically stable, was more soluble (by more than 34%) and dissolved faster than form II in agreement with the thermodynamic rules (A. Burger, R. Ramberger, Mikrochim. Acta II (1979) 259-271).

  8. 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.

  9. 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. PMID:27372128

  10. 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.

  11. 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

  12. Wear Mechanisms of Carbon-Based Refractory Materials in SiMn Tap-Holes—Part II: In Situ Observation of Chemical Reactions

    NASA Astrophysics Data System (ADS)

    Steenkamp, J. D.; Pistorius, P. Chris; Tangstad, M.

    2015-04-01

    The purpose of the study presented here is to determine to what extent chemical reactions between carbon-based refractory and slag or metal in the tap-hole of a SiMn furnace can contribute to wear of tap-hole refractory. The results of the study are reported in two parts. In Part I, thermodynamic calculations suggested that reaction between silicomanganese slag and carbon-based tap-hole refractory is possible, and experiments with nominally pure materials support this. However, practical refractory materials are by no means pure materials and contain secondary phases and porosity which can be expected to affect reaction with slag. In Part II, such reactions are examined experimentally, in cup and wettability tests, using commercially available carbon block and cold-ramming paste refractory materials and mainly industrial SiMn slag. Clear evidence was found of chemical reaction at approximately 1870 K (approximately 1600 °C), forming SiC and, it appears, metal droplets. Both carbon block and ramming paste refractory reacted with slag, with preferential attack on and penetration into the binder phase rather than aggregate particles. The two types of carbon-based refractory materials showed similar extents of chemical reaction observed as wetting and penetration in the laboratory tests. The differences in refractory life observed practically in industrial furnaces should therefore be attributed to wear mechanisms other than pure chemical wear as studied in this work.

  13. Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solution.

    PubMed

    Truflandier, Lionel A; Autschbach, Jochen

    2010-03-17

    Ab initio molecular dynamics (aiMD) simulations based on density functional theory (DFT) were performed on a set of five anionic platinum complexes in aqueous solution. (195)Pt nuclear magnetic shielding constants were computed with DFT as averages over the aiMD trajectories, using the two-component relativistic zeroth-order regular approximation (ZORA) in order to treat relativistic effects on the Pt shielding tensors. The chemical shifts obtained from the aiMD averages are in good agreement with experimental data. For Pt(II) and Pt(IV) halide complexes we found an intermediate solvent shell interacting with the complexes that causes pronounced solvent effects on the Pt chemical shifts. For these complexes, the magnitude of solvent effects on the Pt shielding constant can be correlated with the surface charge density. For square-planar Pt complexes the aiMD simulations also clearly demonstrate the influence of closely coordinated non-equatorial water molecules on the Pt chemical shift, relating the structure of the solution around the complex to the solvent effects on the metal NMR chemical shift. For the complex [Pt(CN)(4)](2-), the solvent effects on the Pt shielding constant are surprisingly small.

  14. Tiered High-Throughput Screening Approach to Identify Thyroperoxidase Inhibitors Within the ToxCast Phase I and II Chemical Libraries.

    PubMed

    Paul Friedman, Katie; Watt, Eric D; Hornung, Michael W; Hedge, Joan M; Judson, Richard S; Crofton, Kevin M; Houck, Keith A; Simmons, Steven O

    2016-05-01

    High-throughput screening 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 limited in the U.S. Environmental Protection Agency ToxCast screening assay portfolio. To fill 1 critical screening gap, the Amplex UltraRed-thyroperoxidase (AUR-TPO) assay was developed to identify chemicals that inhibit TPO, as decreased TPO activity reduces TH synthesis. The ToxCast phase I and II chemical libraries, comprised of 1074 unique chemicals, were initially screened using a single, high concentration to identify potential TPO inhibitors. Chemicals positive in the single-concentration screen were retested in concentration-response. Due to high false-positive rates typically observed with loss-of-signal assays such as AUR-TPO, we also employed 2 additional assays in parallel to identify possible sources of nonspecific assay signal loss, enabling stratification of roughly 300 putative TPO inhibitors based upon selective AUR-TPO activity. A cell-free luciferase inhibition assay was used to identify nonspecific enzyme inhibition among the putative TPO inhibitors, and a cytotoxicity assay using a human cell line was used to estimate the cellular tolerance limit. Additionally, the TPO inhibition activities of 150 chemicals were compared between the AUR-TPO and an orthogonal peroxidase oxidation assay using guaiacol as a substrate to confirm the activity profiles of putative TPO inhibitors. This effort represents the most extensive TPO inhibition screening campaign to date and illustrates a tiered screening approach that focuses resources, maximizes assay throughput, and reduces animal use. PMID:26884060

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  17. 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.

  18. 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. PMID:25973503

  19. 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.

  20. 78 FR 19312 - Agency Information Collection Activities; Proposed Collection; Comments Requested: Import/Export...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-03-29

    ...: Import/Export Declaration for List I and List II Chemicals, DEA Forms 486 and 486A ACTION: 60-Day Notice. The Department of Justice (DOJ), Drug Enforcement Administration (DEA), will be submitting the... the Department of Justice sponsoring the collection: Form Number: DEA Forms 486 and 486A....

  1. 77 FR 62532 - Agency Information Collection Activities; Proposed Collection; Comments Requested: Import/Export...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-15

    ...: 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...

  2. 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

  3. Organic, inorganic and total mercury determination in fish by chemical vapor generation with collection on a gold gauze and electrothermal atomic absorption spectrometry

    NASA Astrophysics Data System (ADS)

    Duarte, Fábio Andrei; Bizzi, Cezar Augusto; Antes, Fabiane Goldschmidt; Dressler, Valderi Luiz; Flores, Érico Marlon de Moraes

    2009-06-01

    A method for organic, inorganic and total mercury determination in fish tissue has been developed using chemical vapor generation and collection of mercury vapor on a gold gauze inside a graphite tube and further atomization by electrothermal atomic absorption spectrometry. After drying and cryogenic grinding, potassium bromide and hydrochloric acid solution (1 mol L - 1 KBr in 6 mol L - 1 HCl) was added to the samples. After centrifugation, total mercury was determined in the supernatant. Organomercury compounds were selectively extracted from KBr solution using chloroform and the resultant solution was back extracted with 1% m/v L-cysteine. This solution was used for organic Hg determination. Inorganic Hg remaining in KBr solution was directly determined by chemical vapor generation electrothermal atomic absorption spectrometry. Mercury vapor generation from extracts was performed using 1 mol L - 1 HCl and 2.5% m/v NaBH 4 solutions and a batch chemical vapor generation system. Mercury vapor was collected on the gold gauze heated resistively at 80 °C and the atomization temperature was set at 650 °C. The selectivity of extraction was evaluated using liquid chromatography coupled to chemical vapor generation and determination by inductively coupled plasma mass spectrometry. The proposed method was applied for mercury analysis in shark, croaker and tuna fish tissues. Certified reference materials were used to check accuracy and the agreement was better than 95%. The characteristic mass was 60 pg and method limits of detection were 5, 1 and 1 ng g - 1 for organic, inorganic and total mercury, respectively. With the proposed method it was possible to analyze up to 2, 2 and 6 samples per hour for organic, inorganic and total Hg determination, respectively.

  4. 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...

  5. 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…

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

    USGS Publications Warehouse

    Childress, C.J.; Chaney, T.M.; Myers, Donna; Norris, J.M.; 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 groundwater. In response, the U.S. Geological Survey conducted 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 the ability to answer major broad scope questions, such as: what are (or were) natural or near-natural water quality conditions; what are existing water quality conditions; and, how water quality has changed and how the changes relate to human activities. Colorado and Ohio were chosen for the pilot study largely because they represent regions with different types of water quality 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. (Author 's abstract)

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

    PubMed Central

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

    2015-01-01

    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 R2=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 (Q2ext = 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. PMID:25560673

  8. 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

  9. Chemical reactivity testing of optical fluids and materials in the DEIMOS spectrographic camera for the Keck II telescope

    NASA Astrophysics Data System (ADS)

    Hilyard, David F.; Laopodis, George K.; Faber, Sandra M.

    1999-09-01

    The DEIMOS Spectrograph Camera contains tow doublets and a triplet. Each group contains materials differing in thermal coefficient expansion, mechanical and optical properties. To mate the elements and at the same time accommodate large camera temperature changes, we will fill the space between with an optical fluid couplant. We selected candidate couplants, lens-support materials, and fluid-constraining materials based on published optical, mechanical and chemical properties. We then tested the chemical reactivity between the coupling fluids, lens-support and fluid- constraining materials. We describe here the test configurations, our criteria for reactivity, and the result for various test durations. We describe our conclusions and final choices for couplant and materials.

  10. 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.

  11. Characterization of Chemical Sputtering Using the Mark II DIMES Porous Plug Injector in Attached and Semi-detached Divertor Plasmas of DIII-D

    SciTech Connect

    McLean, A. G.; Davis, J. W.; Stangeby, P. C.; Allen, S. L.; Boedo, J. A.; Bray, B. D.; Brezinsek, S.; Brooks, N. H.; Fenstermacher, M. E.; Groth, M.; Haasz, A. A.; Hollmann, E. M.; Isler, Ralph C; Lasnier, C. J.; Mu, Y.; Petrie, T. W.; Rudakov, D. L.; Watkins, J. G.; West, W. P.; Whyte, D. G.; Wong, C. P. C.

    2009-01-01

    An improved, self-contained gas injection system for the divertor material evaluation system (DIMES) on DIII-D has been employed for in situ study of chemical erosion in the tokamak divertor environment. To minimize perturbation to local plasma, the Mark II porous plug injector (PPI) releases methane through a porous graphite surface at the outer strike point at a rate precisely controlled by a micro-orifice flow restrictor to be approximately equal as that predicted for intrinsic chemical sputtering. Effective photon efficiencies resulting from CH(4) are found to be 58 +/- 12 in an attached divertor (n(e) similar to 1.5 x 10(13)/cm(3), T(e) similar to 25 eV, T(surf)similar to 450 K), and 94 +/- 20 in a semi-detached cold divertor (n(e) similar to 6.0 x 10(13)/cm(3), T(e) similar to 2-3 eV, T(surf) similar to 350 K). These values are significantly more than previous measurements in similar plasma conditions, indicating the importance of the injection rate and local re-erosion for the integrity of this analysis. The contribution of chemical versus physical sputtering to the source of C(+) at the target is assessed through simultaneous measurement of CII line, and CD plus CH-band emissions during release of CH(4) from the Pill, then compared with that seen in intrinsic sputtering. (C) 2009 Elsevier B.V. All rights reserved.

  12. Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.

    PubMed

    Matthews, Edwin J; Kruhlak, Naomi L; Weaver, James L; Benz, R Daniel; Contrera, Joseph F

    2004-12-01

    The FDA's Spontaneous Reporting System (SRS) database contains over 1.5 million adverse drug reaction (ADR) reports for 8620 drugs/biologics that are listed for 1191 Coding Symbols for Thesaurus of Adverse Reaction (COSTAR) terms of adverse effects. We have linked the trade names of the drugs to 1861 generic names and retrieved molecular structures for each chemical to obtain a set of 1515 organic chemicals that are suitable for modeling with commercially available QSAR software packages. ADR report data for 631 of these compounds were extracted and pooled for the first five years that each drug was marketed. Patient exposure was estimated during this period using pharmaceutical shipping units obtained from IMS Health. Significant drug effects were identified using a Reporting Index (RI), where RI = (# ADR reports / # shipping units) x 1,000,000. MCASE/MC4PC software was used to identify the optimal conditions for defining a significant adverse effect finding. Results suggest that a significant effect in our database is characterized by > or = 4 ADR reports and > or = 20,000 shipping units during five years of marketing, and an RI > or = 4.0. Furthermore, for a test chemical to be evaluated as active it must contain a statistically significant molecular structural alert, called a decision alert, in two or more toxicologically related endpoints. We also report the use of a composite module, which pools observations from two or more toxicologically related COSTAR term endpoints to provide signal enhancement for detecting adverse effects. PMID:16472241

  13. Chemical and biological profiles of novel copper(II) complexes containing S-donor ligands for the treatment of cancer.

    PubMed

    Giovagnini, Lorena; Sitran, Sergio; Montopoli, Monica; Caparrotta, Laura; Corsini, Maddalena; Rosani, Claudia; Zanello, Piero; Dou, Q Ping; Fregona, Dolores

    2008-07-21

    In the last years, we have synthesized some new platinum(II), palladium(II), gold(I/III) complexes with dithiocarbamato derivatives as potential anticancer drugs, to obtain compounds with superior chemotherapeutic index in terms of increased bioavailability, higher cytotoxicity, and lower side effects than cisplatin. On the basis of the obtained encouraging results, we have been studying the interaction of CuCl2 with methyl-/ethyl-/tert-butylsarcosine-dithiocarbamato moieties in a 1:2 molar ratio; we also synthesized and studied the N,N-dimethyl- and pyrrolidine-dithiocarbamato copper complexes for comparison purposes. The reported compounds have been successfully isolated, purified, and fully characterized by means of several spectroscopic techniques. Moreover, the electrochemical properties of the designed compounds have been studied through cyclic voltammetry. In addition, the behavior in solution was followed by means of UV-vis technique to check the stability with time in physiological conditions. To evaluate their in vitro cytotoxic properties, preliminary biological assays (MTT test) have been carried out on a panel of human tumor cell lines. The results show that cytotoxicity levels of all of the tested complexes are comparable or even greater than that of the reference drug (cisplatin). PMID:18572881

  14. 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.

  15. 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.

  16. Binary classification of a large collection of environmental chemicals from estrogen receptor assays by quantitative structure-activity relationship and machine learning methods.

    PubMed

    Zang, Qingda; Rotroff, Daniel M; Judson, Richard S

    2013-12-23

    There are thousands of environmental chemicals subject to regulatory decisions for endocrine disrupting potential. The ToxCast and Tox21 programs have tested ∼8200 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 data set to develop in silico quantitative structure-activity relationship (QSAR) models using machine learning (ML) methods and a novel approach to manage the imbalanced data distribution. Training compounds from the ToxCast project were categorized as active or inactive (binding or nonbinding) classes based on a composite ER Interaction Score derived from a collection of 13 ER in vitro assays. A total of 1537 chemicals from ToxCast were used to derive and optimize the binary classification models while 5073 additional chemicals from the Tox21 project, evaluated in 2 of the 13 in vitro assays, were used to externally validate the model performance. In order to handle the imbalanced distribution of active and inactive chemicals, we developed a cluster-selection strategy to minimize information loss and increase predictive performance and compared this strategy to three currently popular techniques: cost-sensitive learning, oversampling of the minority class, and undersampling of the majority class. QSAR classification models were built to relate the molecular structures of chemicals to their ER activities using linear discriminant analysis (LDA), classification and regression trees (CART), and support vector machines (SVM) with 51 molecular descriptors from QikProp and 4328 bits of structural fingerprints as explanatory variables. A random forest (RF) feature selection method was employed to extract the structural features most relevant to the ER activity. The best model was obtained using SVM in combination with a subset of descriptors identified from a large set via the RF algorithm, which recognized the active and

  17. Binary classification of a large collection of environmental chemicals from estrogen receptor assays by quantitative structure-activity relationship and machine learning methods.

    PubMed

    Zang, Qingda; Rotroff, Daniel M; Judson, Richard S

    2013-12-23

    There are thousands of environmental chemicals subject to regulatory decisions for endocrine disrupting potential. The ToxCast and Tox21 programs have tested ∼8200 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 data set to develop in silico quantitative structure-activity relationship (QSAR) models using machine learning (ML) methods and a novel approach to manage the imbalanced data distribution. Training compounds from the ToxCast project were categorized as active or inactive (binding or nonbinding) classes based on a composite ER Interaction Score derived from a collection of 13 ER in vitro assays. A total of 1537 chemicals from ToxCast were used to derive and optimize the binary classification models while 5073 additional chemicals from the Tox21 project, evaluated in 2 of the 13 in vitro assays, were used to externally validate the model performance. In order to handle the imbalanced distribution of active and inactive chemicals, we developed a cluster-selection strategy to minimize information loss and increase predictive performance and compared this strategy to three currently popular techniques: cost-sensitive learning, oversampling of the minority class, and undersampling of the majority class. QSAR classification models were built to relate the molecular structures of chemicals to their ER activities using linear discriminant analysis (LDA), classification and regression trees (CART), and support vector machines (SVM) with 51 molecular descriptors from QikProp and 4328 bits of structural fingerprints as explanatory variables. A random forest (RF) feature selection method was employed to extract the structural features most relevant to the ER activity. The best model was obtained using SVM in combination with a subset of descriptors identified from a large set via the RF algorithm, which recognized the active and

  18. Chemical trends of the luminescence in wide band gap II 1-xMn xVI semimagnetic semiconductors

    NASA Astrophysics Data System (ADS)

    Benecke, C.; Busse, W.; Gumlich, H.-E.

    1990-04-01

    Time resolved emission and excitation spectroscopy is used to investigate the Mn correlated luminescence in wide band gap II-VI compounds, i.e. Zn 1-xMn xS, Cd 1-xMn xSe, Zn 1-xMn xTe and Cd 1-xMn xTe. Additional Information has been obtained with CdxZnyMnzTe( x+ y+ z=1) in checking the luminescence by variation of the ratio of the cations Cd and Zn. Generally speaking, at least two distinct emissions bands can be observed for each II 1- xMn xVI compound. One emissions band is attributed to the internal transition 4T 1(G)→ 6A 1(S) of the 3d 5 electron of the Mn 2+ on regular metal sites with energies of about ≈2 eV. The other emission band is found to occur in the near infrared range of about ≈1.3 eV. This emission band is tentatively interpreted as a transition of Mn 2+ ions on interstitial sites or in small Mn chalcogenide clusters, both interpretations assuming cubic symmetry. This model is supported by the existence of low energy excitation bands and by the great similarity of the shape of the two emission bands which lead to comparable Huang-Rhys factors and effective phonon energies. Also the established trend in the experimental data of the II-VI compounds under consideration confirm this interpretation. For both the IR and the yellow Mn 2+ center, the Racah parameters B and C and the crystal field parameter Dq are determined on the basis of experimental data. As a result, the energy of both the emission and the excitation bands is predominantly determined by the sorrounding anions. These bands shift to higher energies when the anions are changed in the fixed order: Te→Se→S. Regularly, there is also a spectral shift when Zn is replaced by Cd, which is smaller than the shift due to the variation of onions.

  19. 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

  20. DNAPL remediation with in situ chemical oxidation using potassium permanganate. II. Increasing removal efficiency by dissolving Mn oxide precipitates.

    PubMed

    Li, X David; Schwartz, Franklin W

    2004-02-01

    In situ chemical oxidation (ISCO) schemes using MnO4- have been effective in destroying chlorinated organic solvents dissolved in ground water. Laboratory experiments and field pilot tests reveal that the precipitation of Mn oxide, one of the reaction products, causes a reduction of permeability, which can lead to flow bypassing and inefficiency of the scheme. Without a solution to this problem of plugging, it is difficult to remove DNAPL from the subsurface completely. In a companion paper, we showed with batch experiments that Mn oxide can be dissolved rapidly with certain organic acids. This study utilizes 2-D flow-tank experiments to examine the possibility of nearly complete DNAPL removal by ISCO with MnO4-, when organic acids are used to remove Mn oxide. The experiments were conducted in a small 2-D glass flow tank containing a lenticular silica-sand medium. Blue-dyed trichloroethylene (TCE) provided residual, the perched and pooled DNAPL. KMnO4 at 200 mg/l was flushed through the DNAPL horizontally. Once plugging reduced permeability and prevented further delivery of the oxidant, citric or oxalic acids were pumped into the flow tank to dissolve the Mn oxide precipitates. Organic ligands removed the Mn oxide precipitates relatively quickly, and permitted another cycle of MnO4- flooding. Cycles of MnO4-/acid flooding continued until all of the visible DNAPL was removed. The experiments were monitored with chemical analysis and visualization. A mass-balance calculation indicated that by the end of the experiments, all the DNAPL was removed. The results show also how heterogeneity adds complexity to initial redistribution of DNAPL, and to the efficiency of the chemical flooding. PMID:14734249

  1. DNAPL remediation with in situ chemical oxidation using potassium permanganate - II. Increasing removal efficiency by dissolving Mn oxide precipitates

    NASA Astrophysics Data System (ADS)

    Li, X. David; Schwartz, Franklin W.

    2004-02-01

    In situ chemical oxidation (ISCO) schemes using MnO 4- have been effective in destroying chlorinated organic solvents dissolved in ground water. Laboratory experiments and field pilot tests reveal that the precipitation of Mn oxide, one of the reaction products, causes a reduction of permeability, which can lead to flow bypassing and inefficiency of the scheme. Without a solution to this problem of plugging, it is difficult to remove DNAPL from the subsurface completely. In a companion paper, we showed with batch experiments that Mn oxide can be dissolved rapidly with certain organic acids. This study utilizes 2-D flow-tank experiments to examine the possibility of nearly complete DNAPL removal by ISCO with MnO 4-, when organic acids are used to remove Mn oxide. The experiments were conducted in a small 2-D glass flow tank containing a lenticular silica-sand medium. Blue-dyed trichloroethylene (TCE) provided residual, the perched and pooled DNAPL. KMnO 4 at 200 mg/l was flushed through the DNAPL horizontally. Once plugging reduced permeability and prevented further delivery of the oxidant, citric or oxalic acids were pumped into the flow tank to dissolve the Mn oxide precipitates. Organic ligands removed the Mn oxide precipitates relatively quickly, and permitted another cycle of MnO 4- flooding. Cycles of MnO 4-/acid flooding continued until all of the visible DNAPL was removed. The experiments were monitored with chemical analysis and visualization. A mass-balance calculation indicated that by the end of the experiments, all the DNAPL was removed. The results show also how heterogeneity adds complexity to initial redistribution of DNAPL, and to the efficiency of the chemical flooding.

  2. Effects of chemical mechanical planarization slurry additives on the agglomeration of alumina nanoparticles II: aggregation rate analysis.

    PubMed

    Brahma, Neil; Talbot, Jan B

    2014-04-01

    The aggregation rate and mechanism of 150 nm alumina particles in 1mM KNO3 with various additives used in chemical mechanical planarization of copper were investigated. The pH of each suspension was ∼8 such that the aggregation rate was slow enough to be measured and analyzed over ∼120 min. In general, an initial exponential growth was observed for most suspensions indicating reaction-limited aggregation. After aggregate sizes increase to >500 nm, the rate followed a power law suggesting diffusion-limited aggregation. Stability ratios and fractal dimension numbers were also calculated to further elucidate the aggregation mechanism. PMID:24491325

  3. 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.

  4. 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.

  5. Chemical analyses of soil samples collected from the Sandia National Laboratories, Kauai Test Facility, HI, 1999-2007.

    SciTech Connect

    Miller, Mark Laverne

    2007-11-01

    In 1999, 2002, and 2007, the Environmental Programs and Assurance Department of Sandia National Laboratories (SNL) at the Kauai Test Facility (KTF), HI, has collected soil samples at numerous locations on-site, on the perimeter, and off-site for determining potential impacts to the environs from operations at KTF. 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 increasing or decreasing trends that indicated that further investigation might be warranted. This work provided the SNL Environmental Programs and Assurance 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.

  6. Chemical and colloidal analyses of natural seep water collected from the exploratory studies facility inside Yucca Mountain, Nevada, USA.

    PubMed

    Cizdziel, James V; Guo, Caixia; Steinberg, Spencer M; Yu, Zhongbo; Johannesson, Karen H

    2008-02-01

    Yucca Mountain is being considered as a geological repository for the USA's spent nuclear fuel and high-level nuclear waste. Numerous groundwater seeps appeared during March 2005 within the exploratory studies facility (ESF), a tunnel excavated in the mountain. Because of the relevance to radionuclide transport and unsaturated zone-modeling studies, we analyzed the seep samples for major anions and cations, rare earth elements, and colloids. Major ion species and elemental concentrations in seep samples reflect interaction of the water with the volcanic rock and secondary calcites. Elemental fractograms from flow-injection field-flow fractionation ICP-MS scans detected Br, Ca, Cl, Cu, Fe, I, Mg, Si, Sr, W, and U at void fractions, suggesting they may be present in the form of dissolved anions. Colloids approximately 10 nm in hydrodynamic diameter, possibly calcite, were also present in the seepage samples. Geochemical calculations indicate, however, these may be an artifact (not present in the groundwater) which arose because of loss of CO2 during sample collection and storage.

  7. Chemical interactions in isolated coal-fired power plant plumes: conversion of sulfur dioxide to sulfate aerosols. Volume II. Data supplement

    SciTech Connect

    Meagher, J.F.; Bailey, E.M.; Stockburger, L. III

    1981-03-01

    The Tennessee Valley Authority (TVA) has conducted several field experiments to examine the chemical interactions in isolated coal-fired power plant plumes, Particularly the conversion of sulfur dioxide (SO/sub 2/) to sulfate (SO/sub 4//sup 2 -/) aerosols. Six field studies have been conducted at three TVA power plants - Cumberland, paradise, and Colbert Steam Plants - each of which has a different boiler configuration. Studies were conducted during all seasons of the year. Samples were usually collected between sunrise and noon; however, at Cumberland and Paradise Steam Plants, samples were also collected in the afternoon and after sunset. The effect of several meteorological parameters on the conversion rate was investigated from the results of these studies. During one study at Cumberland Steam Plant, samples were taken during periods of reduced and normal electrostatic precipitator (ESP) operation; results from this study were used to investigate the effect of particle loading in the plume on the conversion rate.

  8. 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

  9. Chemical composition and sources of PM2.5 and TSP collected at Qinghai Lake during summertime

    NASA Astrophysics Data System (ADS)

    Zhang, Ningning; Cao, Junji; Liu, Suixin; Zhao, ZhuZi; Xu, Hongmei; Xiao, Shun

    2014-03-01

    PM2.5 and total suspended particulate (TSP) samples were collected from June to September 2010 at Qinghai Lake, northeastern Tibetan Plateau. The concentrations of major water-soluble ions, 10 elements, elemental carbons (ECs) and organic carbons (OCs) were quantified. Mass concentrations of PM2.5 and TSP were 21.27 ± 10.70 μg m- 3 and 41.47 ± 20.25 μg m- 3, respectively, and the mean ratio of PM2.5/TSP was 0.51. The greatest anion and cation in both PM2.5 and TSP samples were SO42 - and Ca2 +, respectively. Crustal elements, such as Ca, Fe and K, were the main elements in our aerosol samples, and their enrichment factors (EFs) were lower than 10. EFs for Pb, As, and Zn were greater than 10, indicating that they were influenced by anthropogenic sources. EC concentrations were 0.33 ± 0.17 μg m- 3 and 0.47 ± 0.28 μg m- 3, whereas OC concentrations were 1.49 ± 0.63 μg m- 3 and 2.30 ± 0.95 μg m- 3 in PM2.5 and TSP, respectively. Based on the calculated ratios of EC/TC and K+/EC, most of the ECs were found to be related to biomass burning emissions. Because of the pollution from local sources, the ratios of OC/EC were 4.77 ± 1.32 and 5.23 ± 1.39 in PM2.5 and TSP, respectively, which were lower than those of other remote sites. Salt particles produced by the salty lake reacted with acid gases and caused most of the nitrates and a small fraction of sulfate to be distributed in coarse mode; Cl deficit was also observed in our aerosol samples. Results of backward trajectories and correlation analysis show that the concentrations of SO4 2-, OCs, As, Pb, and Zn, were influenced by the long-distance transport from eastern China.

  10. Chemical structure of cement aged at normal and elevated temperatures and pressures, Part II: Low permeability class G oilwell cement

    SciTech Connect

    Le Saout, Gwenn . E-mail: gwenn.lesaout@epfl.ch; Lecolier, Eric; Rivereau, Alain; Zanni, Helene

    2006-03-15

    Recently, Low Permeability Cement formulation has been developed for oilwell cementing. Therefore, it is important to understand the physical and chemical processes causing cement degradation in the downhole environment. In this study, we have characterised a Low Permeability Class G oilwell Cement immersed for one year in brine at T = 293 K, p = 10{sup 5} Pa and T = 353 K, p = 7 x 10{sup 6} Pa using {sup 29}Si, {sup 27}Al NMR and XRD techniques. Elevated temperature and pressure conditions increase the rate of the pozzolanic reaction and have significant effects on the polymerisation of C-S-H and on the incorporation of Al in the C-S-H structure. Leaching resulted in the formation of calcite and a more polymerised C-S-H with the appearance of tobermorite in the sample cured at elevated temperature and pressure.

  11. Trapping of muscle relaxant methocarbamol degradation product by complexation with copper(II) ion: spectroscopic and quantum chemical studies.

    PubMed

    Mansour, Ahmed M; Shehab, Ola R

    2014-07-15

    Structural properties of methocarbamol (Mcm) were extensively studied both experimentally and theoretically using FT IR, (1)H NMR, UV-Vis., geometry optimization, Mulliken charge, and molecular electrostatic potential. Stability arises from hyper-conjugative interactions, charge delocalization and H-bonding was analyzed using natural bond orbital (NBO) analysis. Mcm was decomposed in ethanol/water mixture at 80°C to guaifenesin [(RS)-3-(2-methoxyphenoxy)propane-1,2-diol] and carbamate ion [NH2COO(-)], where the degradation mechanism was explained by trapping the carbamate ion via the complexation with copper(II) ion. The structure of the isolated complex ([Cu(NH2COO)2(H2O)]⋅4H2O) was elucidated by spectral, thermal, and magnetic tools. Electronic spectra were discussed by TD-DFT and the descriptions of frontier molecular orbitals and the relocations of the electron density were determined. Calculated g-tensor values showed best agreement with experimental values from EPR when carried out using both the B3LYP and B3PW91 functional. PMID:24674917

  12. Trapping of muscle relaxant methocarbamol degradation product by complexation with copper(II) ion: Spectroscopic and quantum chemical studies

    NASA Astrophysics Data System (ADS)

    Mansour, Ahmed M.; Shehab, Ola R.

    2014-07-01

    Structural properties of methocarbamol (Mcm) were extensively studied both experimentally and theoretically using FT IR, 1H NMR, UV-Vis., geometry optimization, Mulliken charge, and molecular electrostatic potential. Stability arises from hyper-conjugative interactions, charge delocalization and H-bonding was analyzed using natural bond orbital (NBO) analysis. Mcm was decomposed in ethanol/water mixture at 80 °C to guaifenesin [(RS)-3-(2-methoxyphenoxy)propane-1,2-diol] and carbamate ion [NH2COO-], where the degradation mechanism was explained by trapping the carbamate ion via the complexation with copper(II) ion. The structure of the isolated complex ([Cu(NH2COO)2(H2O)]ṡ4H2O) was elucidated by spectral, thermal, and magnetic tools. Electronic spectra were discussed by TD-DFT and the descriptions of frontier molecular orbitals and the relocations of the electron density were determined. Calculated g-tensor values showed best agreement with experimental values from EPR when carried out using both the B3LYP and B3PW91 functional.

  13. Branched conformational properties of macromolecules in close relation to chemical synthesis. II. Influence of excluded volume interactions.

    PubMed

    Burchard, Walther; Schweins, Ralf; Werner, Marcel

    2015-09-21

    The description of perturbed particle conformations needs as a prerequisite the algorithm of unperturbed chains which is outlined in Paper I [J. Chem. Phys. 143, 114906 (2015)]. The mean square segment length ⟨r(2)(n)⟩=b(2)n(2ν) with ν = 0.588 for linear chains in a good solvent is used as an approximation also for branched samples. The mean square radius of gyration is easily derived, but for the hydrodynamic, the segment distribution by Domb et al. [Proc. Phys. Soc., London 85, 624 (1965)] is required. Both radii can analytically be expressed by Gamma functions. For the angular dependence of scattered light, the Fourier transform of the Domb distribution for self-avoiding random walk is needed, which cannot be obtained as an analytical function and was derived by numerical integration. The summation over all segment length in the particle was performed with an analytic fit-curve for the Fourier transform and was carried out numerically. Results were derived (i) for uniform and polydisperse linear chains, (ii) or f-functional randomly branched polymers and their monodisperse fractions, (iii) for random A3B2 co-polymers, and (iv) for AB2 hyper-branched samples. The deviation of the Gaussian approximation with the variance of ⟨r(2)(n)⟩=b(2)n(2ν) slightly overestimates the excluded volume interaction but still remains a fairly good approximation for region of qR(g) < 10.

  14. Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-II

    NASA Technical Reports Server (NTRS)

    Nguyen, H. L.; Ying, S.-J.

    1990-01-01

    Numerical solutions of the Jet-A spray combustion were obtained by means of the KIVA-II computer code after Jet-A properties were added to the 12 chemical species the program had initially contained. Three different reaction mechanism models are considered. The first model consists of 131 reactions and 45 species; it is evaluated by comparing calculated ignition delay times with available shock tube data, and it is used in the evaluation of the other two simplified models. The simplified mechanisms consider 45 reactions and 27 species and 5 reactions and 12 species, respectively. In the prediction of pollutants NOx and CO, the full mechanism of 131 reactions is considered to be more reliable. The numerical results indicate that the variation of the maximum flame temperature is within 20 percent as compared with that of the full mechanism of 131 reactions. The chemical compositions of major components such as C3H8, H2O, O2, CO2, and N2 are of the same order of magnitude. However, the concentrations of pollutants are quite different.

  15. Chemical composition of size-segregated aerosol collected all year-round at Concordia Station (Dome C, Antarctica). Transport processes and climatic implications.

    NASA Astrophysics Data System (ADS)

    Udisti, Roberto; Becagli, Silvia; Frosini, Daniele; Galli, Gaia; Ghedini, Costanza; Rugi, Francesco; Severi, Mirko; Traversi, Rita

    2010-05-01

    Ice-core stratigraphies of chemical components of atmospheric gases and aerosols trapped in the snow layers by scavenging processes are a powerful tool in understanding past climatic and environmental changes. The deep ice core drilled at Dome C in the framework of the EPICA project allowed reconstructing the last 8 glacial-interglacial cycles and highlightened the complex relationships between climatic forcings and environmental feedback processes. In interpreting ice core records as a function of past climatic variations, some difficulties arise from uncertainties in considering selected chemical species as reliable markers of climatic and environmental processes and in attributing the different load and composition of aerosols over Antarctica to changes in source intensity (such as aridity, wind strength, emersion of continental platform by sea-level lowering etc..) and/or to variations in atmospheric processes (such as meridional and zonal atmospheric circulation, polar vortex intensity, scavenging efficiency, transport pathways etc..). Besides, two new aspects are actually under discussions: the possible use of Na as sea-ice cover marker (via frost flower formation on the sea-ice surface during the pack-ice formation) and the identification of continental source areas for mineral dust reaching internal regions of Antarctica during glacial and interglacial periods. In order to better address such controversial issues, since 2005 a continuous, high temporal resolution size-segregated aerosol and surface snow sampling has been performed at Dome C (central East Antarctic Plateau, 75° 06' S, 123° 23' E), in the framework of "Station Concordia" Project (a Italian PNRA- French IPEV joint program). The chemical analysis of size-segregated aerosol and daily superficial snow samples, collected all year-round for more than 4 years, can contribute to clarify some of the above mentioned topics. In particular: the possible seasonal pattern of sea spray aerosol could be

  16. Comparison between ultrafine and fine particulate matter collected in Lebanon: Chemical characterization, in vitro cytotoxic effects and metabolizing enzymes gene expression in human bronchial epithelial cells.

    PubMed

    Borgie, Mireille; Dagher, Zeina; Ledoux, Frédéric; Verdin, Anthony; Cazier, Fabrice; Martin, Perrine; Hachimi, Adam; Shirali, Pirouz; Greige-Gerges, Hélène; Courcot, Dominique

    2015-10-01

    During the last few years, the induction of toxicological mechanisms by atmospheric ultrafine particles (UFP) has become one of the most studied topics in toxicology and a subject of huge debates. Fine particles (FP) and UFP collected at urban and rural sites in Lebanon were studied for their chemical composition and toxicological effects. UFP were found more enriched in trace elements, secondary inorganic ions, total carbon and organic compounds than FP. For toxicological analysis, BEAS-2B cells were exposed for 24, 48 and 72 h to increasing concentrations of FP, water-UFP suspension (UFPw) and UFP organic extract (UFPorg). Our findings showed that UFP caused earlier alterations of mitochondrial metabolism and membrane integrity from the lowest concentrations. Moreover, a significant induction of CYP1A1, CYP1B1 and AhRR genes expression was showed after cells exposure to UFPorg and to a lesser extent to UFPw and FP samples.

  17. DFT calculations of 15N NMR shielding constants, chemical shifts and complexation shifts in complexes of rhodium(II) tetraformate with some nitrogenous organic ligands

    NASA Astrophysics Data System (ADS)

    Leniak, Arkadiusz; Jaźwiński, Jarosław

    2015-03-01

    Benchmark calculations of 15N NMR shielding constants for a set of model complexes of rhodium(II) tetraformate with nine organic ligands using the Density Functional Theory (DFT) methods have been carried out. The calculations were performed by means of several methods: the non-relativistic, relativistic scalar ZORA, and spin-orbit ZORA approaches at the CGA-PBE/QZ4P theory level, and the GIAO NMR method using the B3PW91 functional with the 6-311++G(2d,p) basis set for C, H, N, O atoms and the Stuttgart basis set for the Rh atom. The geometry of compounds was optimised either by the same basis set as for the NMR calculations or applying the B3LYP functional with the 6-31G(2d) basis set for C, H, N, O atoms and LANL2DZ for the Rh atom. Computed 15N NMR shielding constants σ were compatible with experimental 15N chemical shifts δ of complexes exhibiting similar structure and fulfil the linear equation δ = aσ + b. The a and b parameters for all data sets have been estimated by means of linear regression analysis. In contrast to the correlation method giving "scaled" chemical shifts, the conversion of shielding constants to chemical shifts with respect to the reference shielding of CH3NO2 provided very inaccurate "raw" δ values. The application of the former to the calculation of complexation shifts Δδ (Δδ = δcompl - δlig) reproduced experimental values qualitatively or semi-quantitatively. The non-relativistic B3PW91/[6-311++G(2d,p), Stuttgart] theory level reproduced the NMR parameters as good as the more expensive relativistic CGA-PBE//QZ4P ZORA approaches.

  18. Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?

    PubMed

    Bissantz, Caterina; Bernard, Philippe; Hibert, Marcel; Rognan, Didier

    2003-01-01

    The aim of the current study is to investigate whether homology models of G-Protein-Coupled Receptors (GPCRs) that are based on bovine rhodopsin are reliable enough to be used for virtual screening of chemical databases. Starting from the recently described 2.8 A-resolution X-ray structure of bovine rhodopsin, homology models of an "antagonist-bound" form of three human GPCRs (dopamine D3 receptor, muscarinic M1 receptor, vasopressin V1a receptor) were constructed. The homology models were used to screen three-dimensional databases using three different docking programs (Dock, FlexX, Gold) in combination with seven scoring functions (ChemScore, Dock, FlexX, Fresno, Gold, Pmf, Score). Rhodopsin-based homology models turned out to be suitable, indeed, for virtual screening since known antagonists seeded in the test databases could be distinguished from randomly chosen molecules. However, such models are not accurate enough for retrieving known agonists. To generate receptor models better suited for agonist screening, we developed a new knowledge- and pharmacophore-based modeling procedure that might partly simulate the conformational changes occurring in the active site during receptor activation. Receptor coordinates generated by this new procedure are now suitable for agonist screening. We thus propose two alternative strategies for the virtual screening of GPCR ligands, relying on a different set of receptor coordinates (antagonist-bound and agonist-bound states).

  19. Refractive index dependence on optical gap in amorphous silicon—part II. Si prepared by chemical vapour deposition

    NASA Astrophysics Data System (ADS)

    Ravindra, N. M.; Ance, C.; Ferraton, J. P.; Berger, J. M.; De Chelle, F.; Robin, S.

    1983-07-01

    In the present study, we essentially attempt to extrapolate our earlier studies (1) to amorphous silicon films prepared by chemical vapour deposition using a slightly different approach. This work assumes significance especially in view of a rather dangerous trend prevailing today to generalize model calculations without attributing any importance to the method of preparation of the films. (2-4) Here, we adopt a spectroscopic approach to analyse the various properties of the a-Si films. Some of these films are doped with boron and most of them have been subjected to post-hydrogenation. This study leads us to conclude that the Moss formula (5) is again a fairly good representative of the optical gap-refractive index variation. The scheme developed by Ravindra et al.(6) is shown to be valid for these CVD films. In the passing, we attempt to analyse the properties of films prepared at different temperatures and at different rates of deposition. The model of Revesz (7) is utilised to explain the variation in the density. Our study leads us to believe that for the CVD technique (a high temperature technique with temperatures close to that of crystallisation (8), the rate of deposition seems to be very important in determining the surface conditions of the films. Further, it is seen that on post-hydrogenation, the spectroscopic parameters as have been defined in the Wemple-Didomenico model (9) behave randomly. The study has been carried out on a large number of samples.

  20. 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.

  1. I. Plasma Enhanced Chemical Vapor Deposition of Main Group Nitride Thin Films, and II. Synthesis of Niobium Amido Complexes.

    NASA Astrophysics Data System (ADS)

    Rangarajan, Sri Prakash

    I. Main group nitride films were deposited at low substrate temperatures (<400 ^circC) by using plasma activated ammonia and the amido complexes, M(NMe_2)_4 (M = Si, Ge and Sn) and rm M_2(NMe _2)_6(M = Al, Ga) as precursors. In addition, tin, aluminum and gallium nitride films were thermally deposited from the amides and ammonia for comparison with the plasma deposited materials. The films were nearly stoichiometric with low carbon and oxygen contamination as determined by backscattering spectrometry. The growth rates of the group 14 nitrides increased going down the column, consistent with an associative mechanism involving the plasma-activated NH_3 and the amido complex. Elastic recoil detection measurements indicated that the films had hydrogen contents comparable to those reported for films deposited by other deposition techniques. Transmittance measurements indicated that all the films are highly transparent in the visible and near infrared regions. The silicon, germanium and aluminum nitride films displayed promising barrier properties in Au/MN_{x}/Si metallization schemes. II. The syntheses and characterization of several niobium(IV) amido complexes and their derivatives are reported. Reactions of rm NbX_4(thf)_2(X = Cl, Br) with LiN(SiMe_3)_2 gave Nb(N(SiMe_3)_2)_2Cl _2 and Nb(N(SiMe_3) _2)_2Br_2 in moderate yields. Nb(NPh _2)_4 was synthesized in 63% yield by the reaction of NbCl_4(thf) _2 with four equiv of LiNPh_2. . The reaction of one equivalent of ZnPh _2 with Nb(N(SiMe_3) _2)_2Cl_2 gave Nb(N(SiMe _3)_2)_2PhCl and in one case a mixture of Nb(N(SiMe_3)_2)_2 PhCl and Nb(N(SiMe_3)_2) _2Ph_2. Cp_2NbN(SiMe_3)SiMe _2CH_2, a metallacycle with a four membered planar ring, was prepared by reacting Nb(N(SiMe _3)_2)_2Cl_2 with two equiv of ZnCp_2.. X-ray crystallographic studies were carried out for Nb(NPh_2)_4, Nb(N(SiMe _3)_2)_2Br_2, Nb(N(SiMe _3)_2)_2PhCl and Nb(N(SiMe _3)_2)_2Ph_2. All have highly distorted tetrahedral geometries. The distortions usually are

  2. 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.

  3. 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.

  4. Photoinduced chemical reactions on natural single crystals and synthesized crystallites of mercury(II) sulfide in aqueous solution containing naturally occurring amino acids.

    PubMed

    Pal, Bonamali; Ikeda, Shigeru; Ohtani, Bunsho

    2003-03-10

    Photoirradiation at >300 nm of aqueous suspensions of several natural crystal specimens and synthesized crystallites of mercury(II) sulfide (HgS) induced deaminocyclization of optically active or racemic lysine into pipecolinic acid (PCA) under deaerated conditions. This is the first example, to the best of our knowledge, of photoinduced chemical reactions of natural biological compounds over natural minerals. It was found that the natural HgS crystals had activity higher than those of synthesized ones but lower than those of other sulfides of transition metals, e.g., CdS and ZnS, belonging to the same II-IV chalcogenides. In almost all of the photoreactions, decompostion of HgS occurred to liberate hydrogen sulfide (H(2)S) and Hg(2+), and the latter seemed to have undergone in-situ reductive deposition on HgS as Hg(0) after a certain induction period (24-70 h) during the photoirradiation, as indicated by the darkened color of the suspensions. The formation of PCA, presumably through combination of oxidation of lysine and reduction of an intermediate, cyclic Schiff base, could also be seen after a certain induction time of the Hg(0) formation. This was supported by the fact that the addition of small amount of Hg(2+) (0.5 wt % of HgS) increased the PCA yield by almost 2-fold. We also tried to elucidate certain aspects of the plausible stereochemical reactions in relation to the chiral crystal structure of HgS. Although, in some experiments, slight enantiomeric excess of the product PCA was observed, the excess was below or equal to the experimental error and no other supporting analytical data could not be obtained; we cannot conclude the enantiomeric photoproduction of PCA by the natural chiral HgS specimen. PMID:12611518

  5. Influence of activated-carbon-supported transition metals on the decomposition of polychlorobiphenyls. Part II: Chemical and physical characterization and mechanistic study.

    PubMed

    Sun, Yifei; Liu, Lina; Oshita, Kazuyuki; Zeng, Xiaolan; Wang, Wei; Zhang, Yibo

    2016-09-01

    This paper studies the synergism between transition metals (TMs) and activated carbon (AC) as a catalyst support used in the catalytic decomposition of PCBs. A series of AC-supported TM catalysts was prepared according to two distinct methods: impregnation and ion exchange which were defined as LaTM-C and IRTM-C, respectively. The catalytic reactions between 2,2',4,4',5,5'-hexachlorobiphenyl (PCB-153) and AC-supported Fe, Ni, Cu and Zn catalysts were conducted under N2 atmosphere. Changes in the nature of the catalysts as well as the decomposition mechanism of PCB-153 are discussed. Important findings include: (i) a higher metal concentration and a better metal distribution on AC is realized using ion-exchange, despite a lower AC specific surface area, (ii) IRTM-C had better effects on the decomposition of PCB-153 than LaTM-C, (iii) the role of Ni, Cu, and Fe as electron donors in PCB dechlorination was evaluated vs. the stability of Zn, and (iv) both temperature and chemical composition of TM catalysts influenced the decomposition efficiency of PCBs.

  6. Influence of activated-carbon-supported transition metals on the decomposition of polychlorobiphenyls. Part II: Chemical and physical characterization and mechanistic study.

    PubMed

    Sun, Yifei; Liu, Lina; Oshita, Kazuyuki; Zeng, Xiaolan; Wang, Wei; Zhang, Yibo

    2016-09-01

    This paper studies the synergism between transition metals (TMs) and activated carbon (AC) as a catalyst support used in the catalytic decomposition of PCBs. A series of AC-supported TM catalysts was prepared according to two distinct methods: impregnation and ion exchange which were defined as LaTM-C and IRTM-C, respectively. The catalytic reactions between 2,2',4,4',5,5'-hexachlorobiphenyl (PCB-153) and AC-supported Fe, Ni, Cu and Zn catalysts were conducted under N2 atmosphere. Changes in the nature of the catalysts as well as the decomposition mechanism of PCB-153 are discussed. Important findings include: (i) a higher metal concentration and a better metal distribution on AC is realized using ion-exchange, despite a lower AC specific surface area, (ii) IRTM-C had better effects on the decomposition of PCB-153 than LaTM-C, (iii) the role of Ni, Cu, and Fe as electron donors in PCB dechlorination was evaluated vs. the stability of Zn, and (iv) both temperature and chemical composition of TM catalysts influenced the decomposition efficiency of PCBs. PMID:27320438

  7. Phenotype-driven chemical screening in zebrafish for compounds that inhibit collective cell migration identifies multiple pathways potentially involved in metastatic invasion

    PubMed Central

    Gallardo, Viviana E.; Varshney, Gaurav K.; Lee, Minnkyong; Bupp, Sujata; Xu, Lisha; Shinn, Paul; Crawford, Nigel P.; Inglese, James; Burgess, Shawn M.

    2015-01-01

    ABSTRACT 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. PMID:25810455

  8. 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)

    Valle Diaz, C. J.; Mayol-Bracero, O. L.; Zurcher, F.; Gioda, A.; Lee, T.; Collett, J. L.; Pradacs Team

    2010-12-01

    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. The first field measurements of the Puerto Rico African Dust and Clouds Study (PRADACS) were from July 22 to August 12, 2010. Measurements were performed at East Peak (EP) station at Luquillo, PR (1051 masl) and Cape San Juan Station (CSJ), a coastal station at Fajardo, PR (~60 masl). At EP, 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. Chemical composition (water-soluble ions and carbonaceous, organic nitrogen and metals) and pH were determined for the cloud water and rainwater samples. Here we present preliminary results for EP station. For cloud water and rainwater sampling, pH was 5.5 in average, but during dust events pH values were higher due to the presence of cations that form hydroxides in aqueous solution. Conductivity measurements ranged from 20 to 120 μs/cm; being higher on dust events and lower for rain samples. The values of pH and conductivity in the first stage (large droplets of approximately 15 μm are collected) indicate a higher content of dust than in the second stage (small droplets of approximately 5 μm). This is consistent with the larger sizes of dust particles as well as their lower hygroscopicity which requires more water to serve as Cloud Condensation Nuclei (CCN). Additional results for physical properties and chemical

  9. Biomimetic mono- and dinuclear Ni(I) and Ni(II) complexes studied by X-ray absorption and emission spectroscopy and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Schuth, N.; Gehring, H.; Horn, B.; Holze, P.; Kositzki, R.; Schrapers, P.; Limberg, C.; Haumann, M.

    2016-05-01

    Five biomimetic mono- or dinuclear nickel complexes featuring Ni(I) or Ni(II) sites were studied by X-ray absorption and emission spectroscopy and DFT calculations. Ni K-edge XANES spectra and Kβ main and satellite emission lines were collected on powder samples. The pre-edge absorption transitions (core-to-valence excitation) and Kβ2,5 emission transitions (valence-to-core decay) were calculated using DFT (TPSSh/TZVP) on crystal structures. This yielded theoretical ctv and vtc spectra in near-quantitative agreement with the experiment, showing the adequacy of the DFT approach for electronic structure description, emphasizing the sensitivity of the XAS/XES spectra for ligation/redox changes at nickel, and revealing the configuration of unoccupied and occupied valence levels, as well as the spin-coupling modes in the dinuclear complexes. XAS/XES-DFT is valuable for molecular and electronic structure analysis of synthetic complexes and of nickel centers in H2 or COx converting metalloenzymes.

  10. Western fence lizard (Sceloporus occidentalis) chemical signals. II. A replication with naturally breeding adults and a test of the Cowles and Phelan hypothesis of rattlesnake olfaction.

    PubMed

    Duvall, D

    1981-12-01

    The capacity of naturally breeding western fence lizards (Sceloporus occidentalis biseriatus) to discriminate and respond to conspecific and control chemical cues was examined. Lizards were presented with markings and exudates of male and female donors, as well as cologne (a pungency control) and water, in a successive discrimination procedure. Behavioral actions quantified after exposure to the different chemical cue types included lingual extrusions (tongue flicks and substrate licks), rapid nasal inhalations, and the performance of push-up visual displays. Initial latencies to lingual investigation of the different extracts and markings also were recorded as a measure of the extent to which nasal olfaction would switch on the tongue-Jacobson's organ (vomeronasal olfactory) system. Although no sex differences in total levels of response were noted, males and females exhibited significant lingual discriminations equally to exudates collected from male or female conspecifics. Push-up visual displays also were noted in response to conspecific markings. Cologne-marked surfaced, however, elicited nonsignificant levels of lingual investigation and push-up displaying. Latencies to initial tongue flicks, but not substrate licks, were significantly shorter when any material other than water was present. Therefore, as suggested by Cowles and Phelan ('58), nasal olfaction may indeed be more of a "quantitative," distance sensing system that responds to the presence of any pungent substance by initiating further investigation via the tongue-Jacobson's organ system. The latter appears to be more "qualitative," or discriminating, as indexed by relatively greater levels of lingual investigation of conspecific markings than cologne. No differences were noted in rapid nasal inhalation activity. The results suggest that pheromone markings, along the ground or other surfaces, may be important to spacing and territorial maintenance in nature. This could occur through direct pheromone

  11. 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

  12. 40 CFR 125.95 - As an owner or operator of a Phase II existing facility, what must I collect and submit when I...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... activities; (2) You must submit to the Director the information required in 40 CFR 122.21(r)(2), (r)(3) and... your NPDES permit application in accordance with the time frames specified in 40 CFR 122.21(d)(2). (ii... qualifications (e.g., in the fields of geology, engineering, and/or biology, etc.) depending upon the...

  13. A Research Project to Determine the Student Acceptability and Learning Effectiveness of Microform Collections in Community Junior Colleges: Phase II. Final Report.

    ERIC Educational Resources Information Center

    Gaddy, Dale

    Five pilot studies were conducted at four two-year colleges in the Washington, D.C. area during the 1970-71 academic year to identify relevant variables for subsequent in-depth examination in this USOE-funded research project which is designed to determine student acceptance and learning effectiveness of microform. Known as Phase II, the year's…

  14. 40 CFR 125.95 - As an owner or operator of a Phase II existing facility, what must I collect and submit when I...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... activities; (2) You must submit to the Director the information required in 40 CFR 122.21(r)(2), (r)(3) and... your NPDES permit application in accordance with the time frames specified in 40 CFR 122.21(d)(2). (ii... qualifications (e.g., in the fields of geology, engineering, and/or biology, etc.) depending upon the...

  15. 40 CFR 125.95 - As an owner or operator of a Phase II existing facility, what must I collect and submit when I...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... activities; (2) You must submit to the Director the information required in 40 CFR 122.21(r)(2), (r)(3) and... your NPDES permit application in accordance with the time frames specified in 40 CFR 122.21(d)(2). (ii... qualifications (e.g., in the fields of geology, engineering, and/or biology, etc.) depending upon the...

  16. 40 CFR 125.95 - As an owner or operator of a Phase II existing facility, what must I collect and submit when I...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... activities; (2) You must submit to the Director the information required in 40 CFR 122.21(r)(2), (r)(3) and... your NPDES permit application in accordance with the time frames specified in 40 CFR 122.21(d)(2). (ii... qualifications (e.g., in the fields of geology, engineering, and/or biology, etc.) depending upon the...

  17. 40 CFR 125.95 - As an owner or operator of a Phase II existing facility, what must I collect and submit when I...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... activities; (2) You must submit to the Director the information required in 40 CFR 122.21(r)(2), (r)(3) and... your NPDES permit application in accordance with the time frames specified in 40 CFR 122.21(d)(2). (ii... qualifications (e.g., in the fields of geology, engineering, and/or biology, etc.) depending upon the...

  18. Effect of sampling site and collection method on variations in baseline clinical pathology parameters in Fischer-344 rats. II. Clinical hematology.

    PubMed

    Smith, C N; Neptun, D A; Irons, R D

    1986-11-01

    An analysis of the influence of blood-sampling site and collection method on peripheral hematology parameters was conducted in age-matched male Fischer-344 rats. Sites examined for blood collection were the right ventricle, abdominal aorta, abdominal vena cava, retroorbital plexus, and tail. Collection methods used included syringe (10 ml), Vacutainer(s) (3 ml or 3 ml X 2), and capillary tube. Blood collected from the tail exhibited leukocyte counts approximately twice those of samples samples from other sites. Blood collected from the retroorbital plexus and tail exhibited significant variations in white blood cell count, red blood cell count, hemoglobin, and hematocrit, and differences in leukocyte differential counts of lymphocytes and neutrophils when compared with other sites. Blood collected from the abdominal aorta and in a second Vacutainer from the right ventricle exhibited lower erythrocyte, leukocyte, and platelet counts than that collected from other sites with the exception of the platelet count from tail blood which was lower than that from all other sites. Although parameter values vary with sample site selection, those obtained from right ventricle blood were the least variable and the most consistent when compared with all other methods. PMID:3803760

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. 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...

  4. The electronic structure of the adducts of nickel(II) and cobalt(II) acetylacetonate with 2,2ʹ-dipyridyl by the method of quantum chemical modeling

    NASA Astrophysics Data System (ADS)

    Komissarov, A. A.; Korochentsev, V. V.; Vovna, V. I.

    2016-02-01

    The electronic structure of the nickel(II) and cobalt(II) bis-acetylacetonate with the additional 2,2ʹ-dipyridyl ligand is investigated using density functional theory calculations and X-ray photoelectron spectroscopy. Additional ligand effect on geometry, charges, electronic structure and X-ray photoelectron spectrum is studied. Our calculations show that the electron-donating ability of the 2,2ʹ-dipyridyl ligand is low. The computed data is compared with experimental data.

  5. A chemical kinetic model for NO sub x removal in an aqueous scrubber system using the additive Fe(II)ter dot EDTA

    SciTech Connect

    Mendelsohn, M.H.; Livengood, C.D.

    1992-01-01

    Addition of the metal chelate, ferrous{center dot} ethylenediaminetetraacetate anion (Fe(II){center dot}EDTA{sup 2{minus}}), has been shown to increase the amount of gaseous nitrogen oxides absorbed from a gas stream containing sulfur dioxide, where an aqueous scrubbing process is used to treat the gas. Recently, we published data on improved systems for NO{sub x} removal that incorporate an antioxidant and/or reducing agent (A/R) in the process along with the Fe(H){center dot}EDTA. The purpose of the A/R is to maintain the highest possible concentration of iron in the +2 form. The major mechanism for NO removal is believed to be the equilibrium reaction of Fe(II){center dot}EDTA with dissolved NO to form a Fe(II){center dot}EDTA{center dot}NO complex. It has been shown that both sulfite and bisulfite anions can react with Fe(II){center dot}EDTA{center dot}NO to regenerate Fe(II){center dot}EDTA and other products. In a complex system, other oxidation and reduction mechanisms are also possible. We have chosen, therefore, to approach this problem empirically by fitting our experimental data to a model containing at most three kinetic terms, chosen from among the following: a baseline removal rate, which is equivalent to the rate of reaction of Fe(II){center dot}EDTA with nitric oxide; a regeneration rate, which is equivalent to decomposition of the Fe(II){center dot}EDTA{center dot}NO complex to Fe(II){center dot}EDTA; an oxidation rate, which is a combined rate for all possible oxidation reactions involving Fe(II){center dot}EDTA; and a reduction rate, which is a combined rate for all possible reduction reactions involving ferric-EDTA in the system.

  6. A chemical kinetic model for NO{sub x} removal in an aqueous scrubber system using the additive Fe[II]{center_dot}EDTA

    SciTech Connect

    Mendelsohn, M.H.; Livengood, C.D.

    1992-09-01

    Addition of the metal chelate, ferrous{center_dot} ethylenediaminetetraacetate anion (Fe[II]{center_dot}EDTA{sup 2{minus}}), has been shown to increase the amount of gaseous nitrogen oxides absorbed from a gas stream containing sulfur dioxide, where an aqueous scrubbing process is used to treat the gas. Recently, we published data on improved systems for NO{sub x} removal that incorporate an antioxidant and/or reducing agent (A/R) in the process along with the Fe[H]{center_dot}EDTA. The purpose of the A/R is to maintain the highest possible concentration of iron in the +2 form. The major mechanism for NO removal is believed to be the equilibrium reaction of Fe[II]{center_dot}EDTA with dissolved NO to form a Fe[II]{center_dot}EDTA{center_dot}NO complex. It has been shown that both sulfite and bisulfite anions can react with Fe[II]{center_dot}EDTA{center_dot}NO to regenerate Fe[II]{center_dot}EDTA and other products. In a complex system, other oxidation and reduction mechanisms are also possible. We have chosen, therefore, to approach this problem empirically by fitting our experimental data to a model containing at most three kinetic terms, chosen from among the following: a baseline removal rate, which is equivalent to the rate of reaction of Fe[II]{center_dot}EDTA with nitric oxide; a regeneration rate, which is equivalent to decomposition of the Fe[II]{center_dot}EDTA{center_dot}NO complex to Fe[II]{center_dot}EDTA; an oxidation rate, which is a combined rate for all possible oxidation reactions involving Fe[II]{center_dot}EDTA; and a reduction rate, which is a combined rate for all possible reduction reactions involving ferric-EDTA in the system.

  7. 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…

  8. 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)

  9. 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.

  10. Design of I2-II-IV-VI4 Semiconductors through Element-substitution: the Thermodynamic Stability Limit and Chemical Trend

    NASA Astrophysics Data System (ADS)

    Chen, Shiyou; Wang, Congcong; Xiang, Hongjun; Gong, Xin-Gao; Walsh, Aron; Wei, Su-Huai

    2015-03-01

    Through element substitution in kesterite Cu2ZnSnS4orCu2ZnSnSe4, a class of I2-II-IV-VI4 semiconductors can be designed as novel functional materials. Using the first-principles calculations, we show that this element-substitution design is thermodynamically limited, i.e., although I2-II-IV-VI4 with I =Cu, Ag, II =Zn, Cd, Hg, IV =Si, Ge, Sn and VI =S, Se, Te are stable quaternary compounds, those with II =Mg, Ca, Sr, Ba, IV =Ti, Zr, Hf, and VI =O are unstable against the phase-separation into the competing binary and ternary compounds. Three main phase-separation pathways are revealed. In general, we show that if the secondary II-VI or I2-IV-VI3 phases prefer to have non-tetrahedral structures, then the I2-II-IV-VI4 semiconductors tend to phase separate. This finding can be used as a guideline for future design of new quaternary semiconductors.

  11. 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. PMID:22509834

  12. 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.

  13. Synthesis, antitumor activity, and chemical properties of silaplatin and related platinum (II) and platinum (IV) complexes derived from beta-silyl amines.

    PubMed

    Anderson, W K; Kasliwal, R; Houston, D M; Wang, Y S; Narayanan, V L; Haugwitz, R D; Plowman, J

    1995-09-15

    Platinum (II) and platinum (IV) coordination complexes derived from beta-silyl-substituted amines were prepared. The solubility of selected complexes in water and physiological saline was measured, and the effect of the beta-silicon on the reactivity of the complex in aqueous solution was determined by HPLC. The stabilities of selected silyl complexes were compared to the carbon analogues. The cyclic complexes 2a ("silaplatin") and its Pt(IV) analogue, 2b, were very active against L1210 leukemia in vivo. Both the platinum (II) complex 2a and the platinum (IV) complex 2b produced a significant number of cures over the dose range 10-40 mg/kg. The platinum (II) complex 2a, silaplatin, was very active in vivo against an L1210 leukemia subline that was resistant to cisplatin; 2a was also active, when given ip, against ic implanted L1210. The cyclobutanedicarboxylic acid complex 3c was synthesized; this complex was active against both cisplatin sensitive and resistant L1210 leukemia but was less potent than the analogous dichloro compound 2a. The acyclic platinum (II) and platinum (IV) complexes 1a,b were synthesized and unexpectedly found to be inactive in vivo against L1210 leukemia. More lipophilic silaplatin analogues were prepared--Pt(II) complex 2c and Pt(IV) complex 2d have one additional methylene carbon compared to 2a,b, whereas Pt(II) complex 2e and Pt(IV) complex 2f have two additional methylene carbons. Cyclization of the alkyl groups attached to the silicon gave the spiro bicyclic Pt(II) complexes 10a and 11a and the Pt(IV) complexes 10b and 11b.

  14. Intraliposomal chemical activation patterns of liposomal cis-bis-neodecanoato-trans-R,R-1,2-diaminocyclohexane platinum (II) (L-NDDP)-a potential antitumour agent.

    PubMed

    Maclean, D S; Khokhar, A R; Tyle, P; Perez-Soler, R

    2000-01-01

    L-NDDP is a liposome-entrapped platinum compound currently in phase 2 clinical trials that has been shown to undergo intraliposomal activation. The degradation/activation kinetics of liposome entrapped cis-bis-neodecanoato-trans-R,R-1,2-diamminocyclohexane platinum (II) [L-NDDP] at different conditions of pH, and temperature is presented. Liposomes were reconstituted in a solution of 0.9% sodium chloride (NaCl) in water (pH 5) at room temperature (formulation conditions currently used in the ongoing clinical trials). In the temperature experiments, L-NDDP 0.9% sodium chloride liposomes were incubated in a water-bath at 40, 60, and 80 degrees C. In the pH experiments, these solutions were compared to water, phosphate with and without chloride ion present, phosphate buffer without chloride ion at pH 3.1, 5.0, and 7.4, and glycine buffer with and without chloride ion. In 0.9% sodium chloride at room temperature, the chemical degradation/activation of liposome-bound NDDP was biphasic, with most of the degradation (approximately 45% conversion) occurring during the first hour after formation of the liposome suspension. NDDP degradation was pH dependent: when using pH 3 phosphate buffer as a reconstituting solution, liposome-bound NDDP degraded rapidly, whereas in pH 7.4 phosphate buffer it was stable for > 72 h. NDDP degradation was also temperature-dependent, the 50% point decreasing from 12 h at 25 degrees C to 9.5 h at 40 degrees C, 3.8 h at 60 degrees C, and 0.3 h at 80 degrees C when using 0.9% NaCl in water as a reconstituting solution. Using glycine buffer solution with and without NaCl at room temperature, no NDDP degradation over a 72 h period was observed at 25 degrees C; however, at 40 degrees C, only 68% NDDP remained intact at 72 h. Atomic absorption spectrophotometry (AAS) analysis of the eluting fractions after injection of L-NDDP samples reconstituted in chloride-containing and non chloride-containing solutions clearly indicated that the formation of

  15. 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. PMID:25510831

  16. 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.

  17. 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 kilogr

  18. Adiabatic description of dissipative processes in heavy-ion reactions and fission. II. Weak versus strong coupling and the role of the collective velocity

    SciTech Connect

    Nemes, M.C.; Weidenmueller, H.A.

    1981-09-01

    We investigate the friction and diffusion coefficients for a collective variable (nuclear shape degree of freedom, treated classically) coupled with other (intrinsic) degrees of freedom. An adiabatic representation for the intrinsic degrees of freedom is used. The results are remarkably different from those given by linear response theory: the lowest order nonvanishing contribution to the friction coefficient is proportional to Q/sup 3/. The physical origin of this behavior is discussed as well as the limits of validity of weak and strong coupling regimes, and their applicability to fission and deep inelastic scattering.

  19. TOPoS . II. On the bimodality of carbon abundance in CEMP stars Implications on the early chemical evolution of galaxies

    NASA Astrophysics Data System (ADS)

    Bonifacio, P.; Caffau, E.; Spite, M.; Limongi, M.; Chieffi, A.; Klessen, R. S.; François, P.; Molaro, P.; Ludwig, H.-G.; Zaggia, S.; Spite, F.; Plez, B.; Cayrel, R.; Christlieb, N.; Clark, P. C.; Glover, S. C. O.; Hammer, F.; Koch, A.; Monaco, L.; Sbordone, L.; Steffen, M.

    2015-07-01

    Context. In the course of the Turn Off Primordial Stars (TOPoS) survey, aimed at discovering the lowest metallicity stars, we have found several carbon-enhanced metal-poor (CEMP) stars. These stars are very common among the stars of extremely low metallicity and provide important clues to the star formation processes. We here present our analysis of six CEMP stars. Aims: We want to provide the most complete chemical inventory for these six stars in order to constrain the nucleosynthesis processes responsible for the abundance patterns. Methods: We analyse both X-Shooter and UVES spectra acquired at the VLT. We used a traditional abundance analysis based on OSMARCS 1D local thermodynamic equilibrium (LTE) model atmospheres and the turbospectrum line formation code. Results: Calcium and carbon are the only elements that can be measured in all six stars. The range is -5.0 ≤ [Ca/H] <-2.1 and 7.12 ≤ A(C) ≤ 8.65. For star SDSS J1742+2531 we were able to detect three Fe i lines from which we deduced [Fe/H] = -4.80, from four Ca ii lines we derived [Ca/H] = -4.56, and from synthesis of the G-band we derived A(C) = 7.26. For SDSS J1035+0641 we were not able to detect any iron lines, yet we could place a robust (3σ) upper limit of [Fe/H] < -5.0 and measure the Ca abundance, with [Ca/H] = -5.0, and carbon, A(C) = 6.90, suggesting that this star could be even more metal-poor than SDSS J1742+2531. This makes these two stars the seventh and eighth stars known so far with [Fe/H] < -4.5, usually termed ultra-iron-poor (UIP) stars. No lithium is detected in the spectrum of SDSS J1742+2531 or SDSS J1035+0641, which implies a robust upper limit of A(Li) < 1.8 for both stars. Conclusions: Our measured carbon abundances confirm the bimodal distribution of carbon in CEMP stars, identifying a high-carbon band and a low-carbon band. We propose an interpretation of this bimodality according to which the stars on the high-carbon band are the result of mass transfer from an AGB

  20. Chemical abundances in the protoplanetary disc LV 2 (Orion): clues to the causes of the abundance anomaly in H II regions

    NASA Astrophysics Data System (ADS)

    Tsamis, Y. G.; Walsh, J. R.; Vílchez, J. M.; Péquignot, D.

    2011-04-01

    Optical integral field spectroscopy of the archetype protoplanetary disc LV 2 in the Orion nebula is presented, taken with the Very Large Telescope (VLT) FLAMES/Argus fibre array. The detection of recombination lines (RLs) of C II and O II from this class of objects is reported, and the lines are utilized as abundance diagnostics. The study is complemented with the analysis of Hubble Space Telescope (HST) Faint Object Spectrograph ultraviolet and optical spectra of the target contained within the Argus field of view. By subtracting the local nebula background the intrinsic spectrum of the proplyd is obtained and its elemental composition is derived for the first time. The proplyd is found to be overabundant in carbon, oxygen and neon compared to the Orion nebula and the Sun. The simultaneous coverage over LV 2 of the C III]λ1908 and [O III]λ5007 collisionally excited lines (CELs) and C II and O II RLs has enabled us to measure the abundances of C2 + and O2 + for LV 2 with both sets of lines. The two methods yield consistent results for the intrinsic proplyd spectrum, but not for the proplyd spectrum contaminated by the generic nebula spectrum, thus providing one example where the long-standing abundance anomaly plaguing metallicity studies of H II regions has been resolved. These results would indicate that the standard forbidden-line methods used in the derivation of light metal abundances in H II regions in our own and other galaxies underestimate the true gas metallicity.

  1. Chemical defense collective protection technology. Volume 12. A procedure for recharging self-contained breathing apparatus air bottles in the presence of simulated chemical warfare agents. Final report, 6-11 September 1990

    SciTech Connect

    Conkle, J.P.; Tucker, D.M.; Moore, G.

    1993-05-01

    A procedure was developed and tested for recharging Self-Contained Breathing Apparatus (SCBA) cylinders in an atmosphere contaminated with chemical agent simulant at concentrations which would produce casualties if actual agent were used. With the exception of a rack for storing the cylinders before and after recharging, all items used are currently available commercially or through off-the-shelf DOD supply sources. Cylinders were successfully recharged without contamination in the presence of chemical agent simulant in the compressor area as well as in the cylinder filling area. Inexperienced personnel easily learned and successfully followed the recharging procedures even though they were burdened by protective clothing and equipment. Chemical agents, SCBA, Firefighting, Self-contained breathing apparatus.

  2. Chemicals identified in feral and food animals: a data base. Volume II. Records 533-1515. Second annual report, October 1982

    SciTech Connect

    Cone, M.V.; Faust, R.A.; Baldauf, M.F.

    1982-12-01

    A comprehensive data base of chemicals identified in feral and food animals has been established. This effort has grown out of the concern over continuing reports of toxic chemicals in human tissues and body fluids. Feral populations and food animals are regarded as indicators of environmental contamination and subsequent human body burden. This data file is a companion to Chemicals Identified in Human Biological Media, A Data Base, and follows basically the same format. Data were obtained primarily from the open literature through manual searches (retrospective to 1979). The data base contains information on 134 different substances.

  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. 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.

  5. Harnessing Technology to Improve Clinical Trials: Study of Real-Time Informatics to Collect Data, Toxicities, Image Response Assessments, and Patient-Reported Outcomes in a Phase II Clinical Trial

    PubMed Central

    Pietanza, M. Catherine; Basch, Ethan M.; Lash, Alex; Schwartz, Lawrence H.; Ginsberg, Michelle S.; Zhao, Binsheng; Shouery, Marwan; Shaw, Mary; Rogak, Lauren J.; Wilson, Manda; Gabow, Aaron; Latif, Marcia; Lin, Kai-Hsiung; Wu, Qinfei; Kass, Samantha L.; Miller, Claire P.; Tyson, Leslie; Sumner, Dyana K.; Berkowitz-Hergianto, Alison; Sima, Camelia S.; Kris, Mark G.

    2013-01-01

    Purpose In clinical trials, traditional monitoring methods, paper documentation, and outdated collection systems lead to inaccuracies of study information and inefficiencies in the process. Integrated electronic systems offer an opportunity to collect data in real time. Patients and Methods We created a computer software system to collect 13 patient-reported symptomatic adverse events and patient-reported Karnofsky performance status, semi-automated RECIST measurements, and laboratory data, and we made this information available to investigators in real time at the point of care during a phase II lung cancer trial. We assessed data completeness within 48 hours of each visit. Clinician satisfaction was measured. Results Forty-four patients were enrolled, for 721 total visits. At each visit, patient-reported outcomes (PROs) reflecting toxicity and disease-related symptoms were completed using a dedicated wireless laptop. All PROs were distributed in batch throughout the system within 24 hours of the visit, and abnormal laboratory data were available for review within a median of 6 hours from the time of sample collection. Manual attribution of laboratory toxicities took a median of 1 day from the time they were accessible online. Semi-automated RECIST measurements were available to clinicians online within a median of 2 days from the time of imaging. All clinicians and 88% of data managers felt there was greater accuracy using this system. Conclusion Existing data management systems can be harnessed to enable real-time collection and review of clinical information during trials. This approach facilitates reporting of information closer to the time of events, and improves efficiency, and the ability to make earlier clinical decisions. PMID:23630218

  6. Responses of the L5178Y tk/sup +//tk/sup -/ mouse lymphoma cell forward mutation assay. II. 18 coded chemicals

    SciTech Connect

    McGregor, D.B.; Brown, A.; Cattanach, P.; Edwards, I.; McBride, D.; Caspary, W.J.

    1988-01-01

    Eighteen chemicals were tested for their mutagenic potential in the L5178Y tk/sup +///sup -/ mouse lymphoma cell forward mutation assay by the use of procedures based upon those described previously. Cultures were exposed to the chemicals for 4 hr, then cultured for 2 days before plating in soft agar with or without trifluorothymidine (TFT), 3 ..mu..g/ml. The chemicals were tested at least twice. Significant responses were obtained with benzofuran, benzyl chloride, bromodichloromethane, butylated hydroxytoluene, chlorendic acid, o-chlorobenzalmalonitrile, 1,2,3,4-diepoxybutane, dimethyl formamide, dimethyl hydrogen phosphite, furfural, glutaraldehyde, hydroquinone, 8-hydroxyquinoline, and resorcinol. Apart from bromodichloromethane, butylated hydroxytoluene and dimethyl hydrogen phosphite, rat liver S9 mix was not a requirement for the activity of any of these compounds. Chemicals not identified as mutagens were water, tert-butyl alcohol, pyridine, and witch hazel.

  7. Polypeptides with nonsuppressible insulin-like and cell-growth promoting activities in human serum: isolation, chemical characterization, and some biological properties of forms I and II.

    PubMed

    Rinderknecht, E; Humbel, R E

    1976-07-01

    Serum contains a polypeptide with insulin-like activity not suppressible by insulin antibodies (NSILA). A large-scale isolation procedure for NSILA is described, starting from an acid ethanol extract of a Cohn fraction (precipitate B) obtained from human plasma. Two homogenous polypeptides with insulin-like and cell-growth promoting activities could be isolated by gel filtration, ion exchange chromatography, and preparative polyacrylamide gel electrophoresis. Both components are slightly basic polypeptides with a minimal molecular weight of 5800 +/- 400. Both are single-chain molecules with two intrachain disulfide bridges each and no free sulfhydryl groups. NSILA I and II differ, however, in their amino acid compositions. The N-terminal amino acid sequences are Gly-Pro-Glu- in NSILA I, and Ala-Tyr-Arg- and Tyr-Arg- in NSILA II. Both NSILA I and II enhance net gas exchange in adipose tissue with a specific activity 60 times lower than that of insulin. In the range of 1-50 ng/ml, both substances stimulate [3H]thymidine incorporation into DNA of chick embryo fibroblasts. The same effect can be obtained with insulin but only at concentrations 50-100 times higher than those of NSILA. These results suggest that NSILA I and II are two forms of an insulin-like hormone with predominating effects on cell and tissue growth parameters.

  8. 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.

  9. 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.

  10. Kinetic theory of spin-polarized systems in electric and magnetic fields with spin-orbit coupling. II. RPA response functions and collective modes

    NASA Astrophysics Data System (ADS)

    Morawetz, K.

    2015-12-01

    The spin and density response functions in the random phase approximation are derived by linearizing the kinetic equation including a magnetic field, the spin-orbit coupling, and mean fields with respect to an external electric field. Different polarization functions appear describing various precession motions showing Rabi satellites due to an effective Zeeman field. The latter turns out to consist of the mean-field magnetization, the magnetic field, and the spin-orbit vector. The collective modes for charged and neutral systems are derived and a threefold splitting of the spin waves dependent on the polarization and spin-orbit coupling is shown. The dielectric function including spin-orbit coupling, polarization, and magnetic fields is presented analytically for long wavelengths and in the static limit. The dynamical screening length as well as the long-wavelength dielectric function shows an instability in charge modes, which are interpreted as spin segregation and domain formation. The spin response describes a crossover from damped oscillatory behavior to exponentially damped behavior dependent on the polarization and collision frequency. The magnetic field causes ellipsoidal trajectories of the spin response to an external electric field and the spin-orbit coupling causes a rotation of the spin axes. The spin-dephasing times are extracted and discussed in dependence on the polarization, magnetic field, spin-orbit coupling, and single-particle relaxation times.

  11. 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.

  12. Pseudo-first-order reaction of chemically and biologically formed green rusts with HgII and C₁₅H₁₅N₃O₂: effects of pH and stabilizing agents (phosphate, silicate, polyacrylic acid, and bacterial cells).

    PubMed

    Remy, P-Ph; Etique, M; Hazotte, A A; Sergent, A-S; Estrade, N; Cloquet, C; Hanna, K; Jorand, F P A

    2015-03-01

    The kinetics of Hg(II) and methyl red (MR) reduction by hydroxycarbonate green rust (GR1) and by hydroxysulfate green rust (GR2) were studied in the presence of naturally occurring organic and inorganic ligands (phosphate, polyacrylic acid, bacterial cells, silicate). The reducing ability of biogenic hydroxycarbonate green rust (GR1bio), obtained after microbial reduction of lepidocrocite by Shewanella putrefaciens, was also investigated and compared to those of chemically synthesized GR1 and GR2 (GR1ab and GR2ab). Pseudo first-order rate constants (kobs) of Hg(II) reduction (at pH 7.0, 8.2, and 9.5) and MR reduction (at pH 7.0) were determined and were normalized to the structural Fe(II) content of GRs (kFeII) and to the estimated concentration of surface Fe(II) sites (kS). The kS values ranged from 0.3 L mmol(-1) min(-1) to 43 L mmol(-1) min(-1) for the Hg reduction, and from 0.007 L mmol(-1) min(-1) to 3.4 L mmol(-1) min(-1) for the MR reduction. No significant discrepancy between GRab and GRbio was observed in term of reactivity. However, the reduction kinetics of MR was generally slower than the Hg(II) reduction kinetics for all tested GRs. While a slight difference in Hg(II) reduction rate was noted whatever the pH values (7.0, 8.2, or 9.5), the reduction of MR was significantly affected in the presence of ligands. A decrease by a factor of 2-200, depending on the type of ligand used, was observed. These data give new insights into the reactivity of GRs in the presence of co-occurring organic and inorganic ligands, and have major implications in the characterization of contaminated systems as well as water treatment processes. PMID:25543237

  13. Pseudo-first-order reaction of chemically and biologically formed green rusts with HgII and C₁₅H₁₅N₃O₂: effects of pH and stabilizing agents (phosphate, silicate, polyacrylic acid, and bacterial cells).

    PubMed

    Remy, P-Ph; Etique, M; Hazotte, A A; Sergent, A-S; Estrade, N; Cloquet, C; Hanna, K; Jorand, F P A

    2015-03-01

    The kinetics of Hg(II) and methyl red (MR) reduction by hydroxycarbonate green rust (GR1) and by hydroxysulfate green rust (GR2) were studied in the presence of naturally occurring organic and inorganic ligands (phosphate, polyacrylic acid, bacterial cells, silicate). The reducing ability of biogenic hydroxycarbonate green rust (GR1bio), obtained after microbial reduction of lepidocrocite by Shewanella putrefaciens, was also investigated and compared to those of chemically synthesized GR1 and GR2 (GR1ab and GR2ab). Pseudo first-order rate constants (kobs) of Hg(II) reduction (at pH 7.0, 8.2, and 9.5) and MR reduction (at pH 7.0) were determined and were normalized to the structural Fe(II) content of GRs (kFeII) and to the estimated concentration of surface Fe(II) sites (kS). The kS values ranged from 0.3 L mmol(-1) min(-1) to 43 L mmol(-1) min(-1) for the Hg reduction, and from 0.007 L mmol(-1) min(-1) to 3.4 L mmol(-1) min(-1) for the MR reduction. No significant discrepancy between GRab and GRbio was observed in term of reactivity. However, the reduction kinetics of MR was generally slower than the Hg(II) reduction kinetics for all tested GRs. While a slight difference in Hg(II) reduction rate was noted whatever the pH values (7.0, 8.2, or 9.5), the reduction of MR was significantly affected in the presence of ligands. A decrease by a factor of 2-200, depending on the type of ligand used, was observed. These data give new insights into the reactivity of GRs in the presence of co-occurring organic and inorganic ligands, and have major implications in the characterization of contaminated systems as well as water treatment processes.

  14. Exciton scattering approach for branched conjugated molecules and complexes. II. Extraction of the exciton scattering parameters from quantum-chemical calculations.

    PubMed

    Wu, Chao; Malinin, Sergey V; Tretiak, Sergei; Chernyak, Vladimir Y

    2008-11-01

    We obtain the parameters of the exciton scattering (ES) model from the quantum-chemical calculations of the electronic excitations in simple phenylacetylene-based molecules. We determine the exciton dispersion and the frequency-dependent scattering matrices which describe scattering properties of the molecular ends as well as of meta- and orthoconjugated links. The extracted functions are smooth, which confirms the validity of the ES picture. We find a good agreement between the ES and quantum-chemical results for the excitation energies in simple test molecules. PMID:19045338

  15. Collection of nanoliter microdiaysate fractions in plugs for off-line in vivo chemical monitoring with up to 2 s temporal resolution

    PubMed Central

    Wang, Meng; Slaney, Thomas; Mabrouk, Omar; Kennedy, Robert T.

    2010-01-01

    An off-line in vivo neurochemical monitoring approach was developed based on collecting nanoliter microdialysate fractions as an array of “plugs” segmented by immiscible oil in a piece of Teflon tubing. The dialysis probe was integrated with the plug generator in a polydimethlysiloxane microfluidic device that could be mounted on the subject. The microfluidic device also allowed derivatization reagents to be added to the plugs for fluorescence detection of analytes. Using the device, 2 nL fractions corresponding to 1–20 ms sampling times depending upon dialysis flow rate, were collected. Because axial dispersion was prevented between them, each plug acted as a discrete sample collection vial and temporal resolution was not lost by mixing or diffusion during transport. In vitro tests of the system revealed that the temporal resolution of the system was as good as 2 s and was limited by mass transport effects within the dialysis probe. After collection of dialysate fractions, they were pumped into a glass microfluidic chip that automatically analyzed the plugs by capillary electrophoresis with laser-induced fluorescence at 50 s intervals. By using a relatively low flow rate during transfer to the chip, the temporal resolution of the samples could be preserved despite the relatively slow analysis time. The system was used to detect rapid dynamics in neuroactive amino acids evoked by microinjecting the glutamate uptake inhibitor L-trans-pyrrolidine-2,4-dicarboxylic acid (PDC) or K+ into the striatum of anesthetized rats. The resulted showed increases in neurotransmitter efflux that reached a peak in 20 s for PDC and 13 s for K+. PMID:20447417

  16. 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…

  17. 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...

  18. 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...

  19. 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.

  20. Chemical composition of the essential oil of Jacobaea maritima (L.) Pelser & Meijden and Jacobaea maritima subsp. bicolor (Willd.) B. Nord. & Greuter (Asteraceae) collected wild in Croatia and Sicily, respectively.

    PubMed

    Maggio, Antonella; Venditti, Alessandro; Senatore, Felice; Bruno, Maurizio; Formisano, Carmen

    2015-01-01

    In this study, the chemical compositions of the essential oils from aerial parts (JmA) and radices (JmR) of Jacobaea maritima (L.) Pelser & Meijden, collected in Croatia, and of Jacobaea maritima subsp. bicolor (Willd.) B. Nord. & Greuter, collected in Sicily, were evaluated by using gas chromatography and gas chromatography-mass spectrometry. The main components of the essential oil from J. maritima, both in JmA and JmR, were pentacosane (15.7%), heptacosane (13.1%) and nonacosane (8.1%) whereas the essential oil from J. maritima subsp. bicolor was characterised by the presence of hexadecanoic acid (14.6%), caryophyllene oxide (9.3%) and hexahydrofarnesylacetone (6.5%). The comparison of the essential oil with other studied oils of the genus Jacobaea is discussed.

  1. 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.

  2. 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. PMID:18274819

  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. Accelerated screening methods for determining chemical and thermal stability of refreigerant-lubricant mixtures. Part II: Experimental comparison and verification of methods. Final report, volume I

    SciTech Connect

    Kauffman, R.

    1995-09-01

    The research reported herein was performed to develop an accelerated screening method for determining the chemical and thermal stabilities of refrigerant/lubricant mixtures. The developed screening method was designed to be safe and to produce accelerated stability rankings that are in agreement with the rankings determined by the current test, Sealed Glass Tube Method to Test the Chemical Stability of Material for Use Within Refrigerant Systems, ANSI/ASHRAE Method 97-1989. The accelerated screening test developed was designed to be independent of refrigerant and lubricant compositions and to be used with a wide variety of construction materials. The studied refrigerants included CFC-11, CFC-12, HCFC-22, HFC-134a, and HFC-32/HFC-134a (zeotrope 30:70 by weight). The studied lubricants were selected from the chemical classes of mineral oil, alkylbenzene oil, polyglycols, and polyolesters. The work reported herein was performed in three phases. In the first phase, previously identified thermal analytical techniques were evaluated for development into an accelerated screening method for refrigerant/lubricant mixtures. The identified thermal analytical techniques used in situ measurements of color, temperature, or conductivity to monitor the degradation of the heated refrigerant/lubricant mixtures. The identified thermal analytical techniques also used catalysts such as ferric fluoride to accelerate the degradation of the heated refrigerant/lubricant mixtures. The thermal analytical technique employing in situ conductivity measurements was determined to be the most suitable for development into an accelerated screening method.

  5. 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.

  6. 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: .

  7. Case study II: application of the divalent cation bridging theory to improve biofloc properties and industrial activated sludge system performance-using alternatives to sodium-based chemicals.

    PubMed

    Higgins, Matthew J; Sobeck, David C; Owens, Steven J; Szabo, Lynn M

    2004-01-01

    The objective of this study was to investigate the application of the divalent cation bridging theory (DCBT) as a tool in the chemical selection process at an activated sludge plant to improve settling, dewatering, and effluent quality. According to the DCBT, to achieve improvements, the goal of chemical selection should be to reduce the ratio of monovalent-to-divalent (M/D) cations. A study was conducted to determine the effect of using magnesium hydroxide [Mg(OH)2] as an alternative to sodium hydroxide (NaOH) at a full-scale industrial wastewater treatment plant. Floc properties and treatment plant performance were measured for approximately one year during two periods of NaOH addition and Mg(OH)2 addition. A cost analysis of plant operation during NaOH and Mg(OH)2 use was also performed. During NaOH addition, the M/D ratio was 48, while, during Mg(OH)2 addition, this ratio was reduced to an average of approximately 0.1. During the Mg(OH)2 addition period, the sludge volume index, effluent total suspended solids, and effluent chemical oxygen demand were reduced by approximately 63, 31, and 50%, respectively, compared to the NaOH addition period. The alum and polymer dose used for clarification was reduced by approximately 50 and 60%, respectively, during Mg(OH)2 addition. The dewatering properties of the activated sludge improved dewatering as measured by decreased capillary suction time and specific resistance to filtration (SRF), along with an increase in cake solids from the SRF test. This corresponded to a reduction in the volume of solids thickened by centrifuges at the treatment plant, which reduced the disposal costs of solids. Considering the costs for chemicals and solids disposal, the annual cost of using Mg(OH)2 was approximately 30,000 dollars to 115,000 dollars less than using NaOH, depending on the pricing of NaOH. The results of this study confirm that the DCBT is a useful tool for assessing chemical-addition strategies and their potential effect

  8. Chemical analyses of soil samples collected from the vicinity of the thermal test complex at Sandia National Laboratories, New Mexico environs, 2006.

    SciTech Connect

    Miller, Mark Laverne; Nieto, Danielle M.

    2007-01-01

    In the summer of 2006, the Environmental Programs and Assurance Department of Sandia National Laboratories in Albuquerque, New Mexico (SNL/NM), collected surface soil samples at 37 locations within one mile of the vicinity of the newly constructed Thermal Test Complex (TTC) for the purpose of determining baseline conditions against which potential future impacts to the environs from operations at the facility could be assessed. These samples were submitted to an offsite analytical laboratory for metal-in-soil analyses. This work provided the SNL Environmental Programs and Assurance Department with a sound baseline data reference set against which to assess potential future operational impacts at the TTC. In addition, it demonstrates the commitment that the Laboratories have to go beyond mere compliance to achieve excellence in its operations. This data are presented in graphical format with narrative commentaries on particular items of interest.

  9. 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.

  10. 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.

  11. 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

  12. Analysis of chemical constituents and antinociceptive potential of essential oil of Teucrium Stocksianum bioss collected from the North West of Pakistan

    PubMed Central

    2012-01-01

    Background Medicinal plants are used for the treatment of different diseases in almost all cultures. Teucrium species grow wildly at different geographical locations around the world. Teucrium stocksianum is used in folk medicine for the treatment of diarrhea, cough, jaundice and abdominal pain. Scientific study on Teucrium stocksianum shows that it possesses anthelmintic, cytotoxic and antispasmodic activity. The aim of our present study is to identify the chemical composition and antinociceptive potential of the essential oil extracted from Teucrium stocksianum bioss. Method Essential oil (EO) from the aerial parts of Teucrium stocksianum were extracted by hydrodistillation process. The qualitative and quantitative composition of essential oil was determined with Gas chromatography/Mass spectrometer. Antinociceptive activity was determined by acetic acid induced writhing method. Percent inhibition of writhes of the test concentration was determined by comparing it with that of control. Tween-80 emulsion 2.5% (5 ml/kg b.w) was used as a control while Diclofenic sodium 50 mg/kg (b.w) was used as a standard drug. Results The chromatogram of the essential oil of Teucrium stocksianum shows differences both qualitatively and quantatively from essential oil composition reported in other countries. Hydrodistillation of Teucrium stocksianum yielded 0.4% (v/w), pale yellowish oil on dry basis. A total of 26 chemicals were identified by GC-MS accounting for 90.28% of the oil. The major components of essential oil were δ-cadinene (12.92%), α-pinene (10.3%), myrcene (8.64%), β-caryophyllene (8.23%), germacrene D (5.18%) and limonene (2.36%). Essential oil of Teucrium stocksianum has shown outstanding antinociceptive activity. It has been observed that increase in percent writhe inhibition (PWI) occurred from 20-80 mg/kg (b.w) and maximum writhe inhibition has been noted at a concentration of 80 mg/kg (b.w), but PWI decreased at 160 mg/kg, which may be due to some

  13. 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

  14. Have we overlooked important cohorts for follow-up studies? Report of the Chemical Industry Institute of Toxicology Conference of World War II-era Industrial Health Specialists.

    PubMed

    Levine, R J; Eisenbud, M

    1988-08-01

    During the World War II era large segments of the industrial work force suffered heavy exposure to toxic materials. Often there followed episodes of acute toxic illness, which may have been precursors of other effects, as yet unidentified. Yet adequate follow-up studies to document the subsequent health history of these populations have not been undertaken. Such studies should be initiated while knowledgeable persons and necessary records may still be found. Existing epidemiologic data bases, constructed after considerable effort, must be preserved in an archive for the benefit of future researchers. It is essential to identify and characterize important present-day cohorts now, although their experiences of interest to scientists may not occur for many years.

  15. Evaluation of A MBER force field parameters for copper(II) with pyridylmethyl-amine and benzimidazolylmethyl-amine ligands: A quantum chemical study

    NASA Astrophysics Data System (ADS)

    Zhu, Yanyan; Su, Yanwei; Li, Xichen; Wang, Yan; Chen, Guangju

    2008-04-01

    We present the theoretical evaluations on the two new sets of A MBER force field parameters for the two copper(II) nucleases, Cu(BPA)Cl 2 (BPA = bis(2-pyridylmethyl)amine) and Cu(IDB)Cl 2 (IDB = N, N-bis(2-benzimidazolylmethyl)amine) based on the DFT/B3LYP level of theory, incorporating with atomic charges calculated by the RESP method. The new force field parameters have been successfully applied in the testing molecular dynamic simulations for the nuclease-DNA combining systems. The developed force field parameters in this work can be applied in DNA-binding modeling for other artificial copper nucleases with same Cu-N type environments.

  16. Stable isotope (2H, 17O, 18O) and hydro chemical patterns of precipitation collected in weekly resolution at Hannover, Germany

    NASA Astrophysics Data System (ADS)

    Koeniger, Paul; Himmelsbach, Thomas

    2016-04-01

    Long-term observations of stable isotopes (δ18O and δ2H) in precipitation were initiated in May 2008 at the Federal Institute of Geosciences and Natural Resources (BGR) in Hannover, Germany. In 2014 all precipitation samples were re-analyzed because a purchase of a new laser spectrometer (Picarro L2140-i) now allowed measurements of δ17O and a calculation of the 17O-excess parameter. Starting in October 2015 a routine analysis of hydro chemical parameters was added whenever enough sample aliquot was available (major ions, trace elements). A discussion of the stable isotope data of the seven year series of weekly precipitation samples (n = 370) will be presented. Beneath general patterns (seasonality and trends) we also focus on importance of amount weighing procedures, corrections for minor rain amounts, aspects of sample storage and re-analyzes, as well as impacts through changes in analytical equipment (IRMS, CRD spectroscopy) which is visible from the data. For stable isotopes a Thermo Fisher delta plus IRMS (Gasbench and H-Device) was used until 2011 and from 2012 on a Picarro L2120-i water vapor analyzer with long-term accuracies for quality check samples better than 0.2‰ and 0.8‰ for δ18O and δ2H, respectively.

  17. 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.

  18. Adxanthromycins A and B, new inhibitors of ICAM-1/LFA-1 mediated cell adhesion molecule from Streptomyces sp. NA-148. II. Physico-chemical properties and structure elucidation.

    PubMed

    Takahashi, S; Nakano, T; Koiwa, T; Noshita, T; Funayama, S; Koshino, H; Nakagawa, A

    2000-02-01

    Adxanthromycins A and B are new inhibitors of ICAM-1/LFA-1 mediated cell adhesion molecule isolated from the fermentation broth of Streptomyces sp. NA-148. The molecular formula of adxanthromycins A and B were determined as C42H40O17 and C48H50O22, respectively by FAB-MS and NMR spectral analyses, and the structures of both compounds were elucidated to be a dimeric anthrone peroxide skeleton containing alpha-D-galactose by various NMR spectral analyses and chemical degradation. PMID:10805577

  19. 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.

  20. Oxygen Consumption by Red Wines. Part II: Differential Effects on Color and Chemical Composition Caused by Oxygen Taken in Different Sulfur Dioxide-Related Oxidation Contexts.

    PubMed

    Carrascon, Vanesa; Fernandez-Zurbano, Purificación; Bueno, Mónica; Ferreira, Vicente

    2015-12-30

    Chemical changes caused by oxidation of red wines during 5 consecutive air-saturation cycles have been assessed. In order to investigate the existing relationship between the effects caused by O2 and the levels and consumption rates of wine SO2, the total oxygen consumed by the wines (16-25 mg/L) was subdivided into different nonmutually exclusive categories. The ones found most influential on chemical changes were the O2 consumed in the first saturation without equivalent SO2 consumption (O2preSO2) and the O2 consumed when levels of free SO2 were below 5 mg/L (radical forming O2). Chromatic changes were strongly related to both O2 categories, even though anthocyanidin degradation was not related to any O2 category. Radical forming O2 prevented both formation of red pigments and reduction of epigallocatechin and other proanthocyanidins, induced accumulation of phenolic acids, and caused losses of β-damascenone and whiskylactone without evidence of acetaldehyde formation. O2preSO2 seemed to play a key role in the formation of blue pigments and in the decrease of Folin index and of many important aroma compounds. PMID:26646423

  1. 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.

  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. [Al2O4](-), a Benchmark Gas-Phase Class II Mixed-Valence Radical Anion for the Evaluation of Quantum-Chemical Methods.

    PubMed

    Kaupp, Martin; Karton, Amir; Bischoff, Florian A

    2016-08-01

    The radical anion [Al2O4](-) has been identified as a rare example of a small gas-phase mixed-valence system with partially localized, weakly coupled class II character in the Robin/Day classification. It exhibits a low-lying C2v minimum with one terminal oxyl radical ligand and a high-lying D2h minimum at about 70 kJ/mol relative energy with predominantly bridge-localized-hole character. Two identical C2v minima and the D2h minimum are connected by two C2v-symmetrical transition states, which are only ca. 6-10 kJ/mol above the D2h local minimum. The small size of the system and the absence of environmental effects has for the first time enabled the computation of accurate ab initio benchmark energies, at the CCSDT(Q)/CBS level using W3-F12 theory, for a class-II mixed-valence system. These energies have been used to evaluate wave function-based methods [CCSD(T), CCSD, SCS-MP2, MP2, UHF] and density functionals ranging from semilocal (e.g., BLYP, PBE, M06L, M11L, N12) via global hybrids (B3LYP, PBE0, BLYP35, BMK, M06, M062X, M06HF, PW6B95) and range-separated hybrids (CAM-B3LYP, ωB97, ωB97X-D, LC-BLYP, LC-ωPBE, M11, N12SX), the B2PLYP double hybrid, and some local hybrid functionals. Global hybrids with about 35-43% exact-exchange (EXX) admixture (e.g., BLYP35, BMK), several range hybrids (CAM-B3LYP, ωB97X-D, ω-B97), and a local hybrid provide good to excellent agreement with benchmark energetics. In contrast, too low EXX admixture leads to an incorrect delocalized class III picture, while too large EXX overlocalizes and gives too large energy differences. These results provide support for previous method choices for mixed-valence systems in solution and for the treatment of oxyl defect sites in alumosilicates and SiO2. Vibrational gas-phase spectra at various computational levels have been compared directly to experiment and to CCSD(T)/aug-cc-pV(T+d)Z data. PMID:27434425

  4. 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

  5. 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

  6. 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

  7. Studies on chemical modification and biology of a natural product, gambogic acid (II): Synthesis and bioevaluation of gambogellic acid and its derivatives from gambogic acid as antitumor agents.

    PubMed

    Wang, Jinxin; Ma, Junhai; You, Qidong; Zhao, Li; Wang, Fan; Li, Chong; Guo, Qinglong

    2010-09-01

    Gambogic acid (GA) has been reported to be a potent apoptosis inducer. The fact that it is amenable to chemical modification makes GA an attractive molecule for the development of anticancer agents. We firstly reported the synthesis of gambogellic acid, which was generated under acid catalysis from readily available GA by a base-catalyzed diene intramolecular annelation. Sequentially, thirteen new compounds were synthesized and their inhibitory activity on HT-29, Bel-7402, BGC-823, and A549 cell lines were evaluated in vitro by MTT assay, and (38, 40)-epoxy-33-chlorogambogellic acid (4) was identified as a BGC-823 cell apoptosis inducer through MTT cell assay, observations of morphological changes, and Annexin-V/PI double-staining assay. Compound 4 showed significant effects in inducing apoptosis and might serve as a potential lead compound for discovery of new anticancer drugs. Further structure-activity relationships (SARs) of gambogic acid derivatives were discussed.

  8. High efficiency chemical energy conversion system based on a methane catalytic decomposition reaction and two fuel cells. Part II. Exergy analysis

    NASA Astrophysics Data System (ADS)

    Liu, Qinghua; Tian, Ye; Li, Hongjiao; Jia, Lijun; Xia, Chun; Thompson, Levi T.; Li, Yongdan

    A methane catalytic decomposition reactor-direct carbon fuel cell-internal reforming solid oxide fuel cell (MCDR-DCFC-IRSOFC) energy system is highly efficient for converting the chemical energy of methane into electrical energy. A gas turbine cycle is also used to output more power from the thermal energy generated in the IRSOFC. In part I of this work, models of the fuel cells and the system are proposed and validated. In this part, exergy conservation analysis is carried out based on the developed electrochemical and thermodynamic models. The ratio of the exergy destruction of each unit is examined. The results show that the electrical exergy efficiency of 68.24% is achieved with the system. The possibility of further recovery of the waste heat is discussed and the combined power-heat exergy efficiency is over 80%.

  9. 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.

  10. Chemical probes for water-oxidation: synthetic manganese complexes in photoactivation of water splitting complex and as exogenous electron donors to photosystem II.

    PubMed

    Bernát, G; Padhye, S; Barta, C; Kovács, L; Demeter, S

    2001-01-01

    Photoactivation of the water splitting enzyme was performed with 13 different synthetic manganese complexes and characterized by oxygen evolution yield, thermoluminescence and chlorophyll fluorescence induction kinetics. The efficiency of different compounds in photoactivation correlated with the rate of linear electron transport in the presence of these compounds. The organic ligands, associated with the manganese ions, do not prevent the photoactivation of the water splitting complex (WOC). Photoactivation with different manganese complexes depended on the number of the Mn-ions in the complex, their valence state and the nature of their donor atoms. The most efficient restorations were achieved by using tetrameric complexes having a dimer+dimer structure, complexes containing Mn(II) ions, and having 4-6 oxygen and 0-2 nitrogen atoms as donor atoms. Further, the effectiveness of photoactivation depended largely on the structure of the complexes. Our data support the notion that WOC in intact thylakoids requires the cooperation and well determined arrangement of all four manganese ions, and argue against the hypothesis that two manganese ions are sufficient for water splitting. Photoactivation by some complexes led to anomalous flash-oxygen patterns, which are explained by a modified/perturbed water splitting complex.

  11. Chemical and enzymological characterization of an Indonesian variant of human erythrocyte carbonic anhydrase II, CAII Jogjakarta (17 Lys leads to Glu).

    PubMed

    Jones, G L; Sofro, A S; Shaw, D C

    1982-10-01

    A new variant of human erythrocyte carbonic anhydrase II (CAII) was discovered in a single heterozygous individual during routine screening of blood samples from the island of Java in Indonesia. The normal and variant components of the heterozygous CAII mixture were resolved by isoelectric focusing following purification by a specific affinity matrix. Specific esterase activities and Michaelis-Menten constants were identical. Only very small differences were noted with respect to inhibition by acetazolamide and chloride. Double diffusion analysis showed the immunological identify of the normal and variant enzymes. The variant CAII was considerably less heat stable than the normal enzyme. The variant was slightly more stable than the normal enzyme upon dialysis against the zinc chelator dipicolinic acid (PDCA), indicating a tighter binding of zinc than the normal enzyme. Analysis of tryptic peptides from the normal and variant enzymes indicated that, in the variant, lysine at position 17 from the N terminus had changed to glutamic acid. The differences in physiochemical properties observed for the normal and variant enzyme are discussed in relation to the possible effects of this substitution on the structure of the CAII molecule. PMID:6817747

  12. 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.

  13. 76 FR 8804 - Agency Information Collection Activities: Revision and Approval of Information Collection...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-15

    ... collect information involving National Infrastructure Investments or ``TIGER II'' Discretionary Grants... (``OST'') is referring to these grants as ``TIGER II Discretionary Grants.'' The original collection of... Investments, Public Law 111-117, 123 Stat. 3034. The purpose of the TIGER II Discretionary Grants program...

  14. Diurnal Chemical Characterization of Aerosols at Downtown Mexico City During the Cold Dry Seasons of 2003 and 2005. Part II. Modeling

    NASA Astrophysics Data System (ADS)

    Matias, E.; Moya, M.; Grutter, M.

    2006-12-01

    The SCAPE2 aerosol equilibrium model was applied to measured concentrations of aerosols and precursor gases taken during the dry seasons of 2003 and 2005 in downtown Mexico City (Part I of this work). PM2.5 was collected in diurnal 4-h sampling periods (06:00 hrs-18:00 hrs). Two different methods, FTIR and denuder difference method (DDM), were used to measure gas-phase HNO3. Besides, FTIR recorded concentrations of other inorganic gas-phase species (NH3, HCl). Particulate nitrate and ammonium was overpredicted over all sampling periods. Using denuded-HNO3 measurements in simulations, PM2.5 nitrate and ammonium was predicted within 50-70% during the morning sampling periods. For afternoon sampling periods mean normalized errors slightly increased. By using FTIR HNO3 measurements model performance significantly decreases due to large uncertainties associated with interferences in the HNO3 atmospheric determination (Moya et al., 2003).

  15. 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

  16. The origin of the moon and the early history of the earth - A chemical model. I - The moon. II - The earth

    NASA Astrophysics Data System (ADS)

    O'Neill, H. St. C.

    1991-04-01

    Assuming that the moon was formed as a result of a giant impact by a celestial Mars-sized body with the earth, a model is developed that accounts for the chemical compositions of both the moon and the earth. The moon model assumes that about 80 percent of the moon came from the primitive earth's mantle after segregation of the earth's core and the other 20 percent came from two sources: (1) the Impactor, which is constrained to be an oxidized undifferentiated body of roughly CI chondritic composition and (2) a late-stage veneer with a composition and oxidation state similar to that of the H-group ordinary chondrites. The earth model assumes that the protoearth accreted from a material resembling a high-temperature condensate from the solar nebula. The model accounts for the siderophile element abundances of the present mantle. It predicts that neither S, O, nor Si were present in sufficient quantities to provide the required light element in the core, whose identity remains enigmatic.

  17. In vitro formation of phase I and II metabolites of propranolol and determination of their structures using chemical derivatization and liquid chromatography-tandem mass spectrometry.

    PubMed

    Lampinen Salomonsson, Matilda; Bondesson, Ulf; Hedeland, Mikael

    2009-05-01

    Derivatization with 1,2-dimethylimidazole-4-sulfonyl chloride (DMISC) has been successfully used as a tool to differentiate between aromatic and aliphatic O-glucuronides of hydroxypropranolol. The analyses were performed with liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS/MS) with both a triple quadrupole and an ion trap instrument. Hydroxylated forms of propranolol can be glucuronidated in aliphatic as well as aromatic positions. These isoforms are not distinguishable by tandem MS alone, as they both initially lose 176 Da, i.e. monodehydrated glucuronic acid, giving back the aglycone. Two in vitro systems were set up for the production of propranolol metabolites. The obtained isomers of 4'-hydroxypropranolol glucuronide were determined to correspond to one aliphatic and one aromatic form, using chemical derivatization with DMISC and LC-MS(n). DMISC was shown to react with the secondary amine in the case where the naphtol was occupied by the glucuronyl moiety, resulting in a different fragmentation pattern compared with that of the aliphatic glucuronide, where the naphtol group was accessible to derivatization.

  18. 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.

  19. Collection Development.

    ERIC Educational Resources Information Center

    School Libraries in Canada, 2002

    2002-01-01

    Includes 21 articles that discuss collection development in Canadian school libraries. Topics include digital collections in school library media centers; print and electronic library resources; library collections; collaborative projects; print-disabled students; informing administrators of the importance of collection development; censorship;…

  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. The conformational analysis of push-pull enaminoketones using Fourier transform IR and NMR spectroscopy, and quantum chemical calculations: II. Beta-dimethylaminoacrolein.

    PubMed

    Vdovenko, Sergey I; Gerus, Igor I; Fedorenko, Elena A

    2009-12-01

    IR Fourier and (1)H NMR spectra of beta-dimethylaminoacrolein (DMAA) were investigated in various pure solvents. Quantum chemical calculations by the method AM1 also was carried out to evaluate relative energy and dipole moment of each conformer. On the basis of NMR and IR-spectra we showed that the (DMAA) presented in solutions as equilibrium of two conformers, (E-s-Z) <==> (E-s-E). Constant of this equilibrium, K(eq) = C(E-s-E)/C(E-s-Z), depended strongly on the total (DMAA) concentration: ln K(eq) = ln K(eq0) + a(1 - e(-bC) total). Besides, (E-s-Z) conformer of the (DMAA) was more polar and more stable than the (E-s-E) conformer. Correlation of the out-of-phase nu(C=O) and in-phase nu(C=C) vibrations with solvatochromic parameters of Kamlet, Abbot, and Taft (KAT) revealed that the main contribution to the shift of the out-of-phase nu(C=O) vibrations of the both conformers made solvent's hydrogen bond acceptor (HBA) (beta) term, whereas hydrogen bond donor (HBD) acidity (alpha) term influenced predominantly on the shift of the in-phase nu(C=C) vibrations of the conformers. Moreover, influence of these dominated terms was more pronounced for the (E-s-Z) conformer in comparison with the (E-s-E) conformer, hence the first conformer was more polarized than the last. Investigations of the enthalpies of the (E-s-Z) <==> (E-s-E) equilibrium in carbon tetrachloride, 1,4-dioxane and their mixtures showed that these enthalpies depended predominantly on the solvent's atomic and electronic polarization and dispersive interactions.

  2. [Problems during processing and storage of meat in cans. II. Chemical changes in canned meat with long storage time (author's transl)].

    PubMed

    Günther, H O

    1975-05-30

    By sensory analysis and according to results of objective chemical investigations meat cans sterilized at 120 degrees C for long storage times were at best evaluated, if they were processed after the 4th and 7th day after slaughter. At first the 4th day; after 2 days the 7th day were preferred. 2. For comparison meat cans with long storage time of 5 and 9 years were analyzed in the same manner. In taste these were empty, strawy, and partly bitter. Frozen meat which was processed according to old procedures (long stored without any shock freezing), was regarded, extremely unagrellable. The attributs were adstringend and soapy. 3. Gelfiltration of diffusates showed a separation in 2 main peaks. The first from fractions 90--130 had a typical aroma of a heated meat, after hydrolysis glucose was detected as main sugar component. The 2th peak from fractions 170--230 tasted more sweet with parfumlike odor, after hydrolysis ribose was detected besides other substances stained by anisidine phthalate. 4. During storage substances of peak 1 were reduced in contrast to peak 2 substances. The latter seemed to be responsible for the aroma and taste at beginning of eating, but no fixation at the tongue could be observed in contrast to the substances of the peak 1. 5. Staining of separated peptides--by electrochromatography--with ninydrin received from the diffusates of the meat cans showed some brown coloured peptides, which disappeared during storage. This was in good correlation with the results of sensory analysis.

  3. 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.

  4. 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. PMID:27363055

  5. 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.

  6. 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).

  7. 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

    2016-01-01

    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. PMID:26210109

  8. Ancient graphite in the Eoarchean quartz-pyroxene rocks from Akilia in southern West Greenland II: Isotopic and chemical compositions and comparison with Paleoproterozoic banded iron formations

    NASA Astrophysics Data System (ADS)

    Papineau, Dominic; De Gregorio, Bradley T.; Stroud, Rhonda M.; Steele, Andrew; Pecoits, Ernesto; Konhauser, Kurt; Wang, Jianhua; Fogel, Marilyn L.

    2010-10-01

    graphite associated with apatite or with hornblende, calcite, and sulfides. These analyses revealed generally lower abundances of trace elements in the Akilia graphite compared to graphite associated with apatite from Paleoproterozoic BIFs. Graphite associated with hornblende, calcite, and sulfides in the Akilia Qp rock was fluid-deposited at high-temperature from carbon-bearing fluids, and since this graphite has similar ranges of δ 13C gra values and of trace elements compared to graphite associated with apatite, we conclude that the Akilia graphite in different mineral associations formed from the same source(s) of CM. Collectively our results do not exclude a biogenic origin of the carbon in the Akilia graphite, but because some observations can not exclude graphitization of abiogenic carbon from CO 2- and CH 4-bearing mantle fluids, there remain ambiguities with respect to the exact origin of carbon in this ancient metasedimentary rock. Accordingly, there may have been several generations of graphite formation along with possibly varying mixtures of CO 2- and CH 4-bearing fluids that may have resulted in large ranges of δ 13C gra values. The possibility of fluid-deposited graphite associated with apatite should be a focus of future investigations as this may prove to be an alternative pathway of graphitization from phosphate-bearing fluids. Correlated micro-analytical approaches tested on terrestrial rocks in this work provide insights into the origin of carbon in ancient graphite and will pave the way for the search for life on other ancient planetary surfaces.

  9. Software Development at Belle II

    NASA Astrophysics Data System (ADS)

    Kuhr, Thomas; Hauth, Thomas

    2015-12-01

    Belle II is a next generation B-factory experiment that will collect 50 times more data than its predecessor Belle. This requires not only a major upgrade of the detector hardware, but also of the simulation, reconstruction, and analysis software. The challenges of the software development at Belle II and the tools and procedures to address them are reviewed in this article.

  10. 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)

  11. 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.

  12. 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.

  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. 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…

  15. 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.

  16. Tyrosinaemia II.

    PubMed

    Colditz, P B; Yu, J S; Billson, F A; Rogers, M; Molloy, H F; O'Halloran, M; Wilcken, B

    1984-08-18

    Four cases of tyrosinaemia type II (Richner-Hanhart syndrome) are reported. This syndrome consists of corneal erosions, palmar and plantar hyperkeratoses, and sometimes mental retardation. Presentation with photophobia and dendritic corneal ulceration or circumscribed palmoplantar keratoderma should alert the physician to the possible diagnosis of tyrosinaemia II. Early diagnosis is important, as the clinical picture can be modified by dietary restriction.

  17. 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…

  18. 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…

  19. 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…

  20. Culture collections.

    PubMed

    Smith, David

    2012-01-01

    Culture collections no matter their size, form, or institutional objectives play a role in underpinning microbiology, supplying the resources for study, innovation, and discovery. Their basic roles include providing a mechanism for ex situ conservation of organisms; they are repositories for strains subject to publication, taking in safe, confidential, and patent deposits from researchers. They supply strains for use; therefore, the microorganisms provided must be authentic and preserved well, and any associated information must be valid and sufficient to facilitate the confirmation of their identity and to facilitate their use. The organisms must be collected in compliance with international conventions, international and national legislation and distributed to users indicating clearly the terms and conditions under which they are received and can be used. Collections are harmonizing approaches and characterizing strains to meet user needs. No one single collection can carry out this task alone, and therefore, it is important that output and strategy are coordinated to ensure culture collections deliver the basic resources and services microbiological innovation requires. This chapter describes the types of collection and how they can implement quality management systems and operate to deliver their basic functions. The links to information sources given not only provide support for the practitioners within collections but also provide guidance to users on accessing the huge resource available and how they can help ensure microbiology has the resources and a solid platform for future development.

  1. 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."

  2. 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)

  3. Quantitative Research in Chemical Education.

    ERIC Educational Resources Information Center

    Nurrenbern, Susan C.; Robinson, William R.

    1994-01-01

    Provides an overview of the area of quantitative research in chemical education, which involves the same components that comprise chemical research: (1) a question or hypothesis; (2) research design; (3) data collection and analysis; and (4) interpretation of results. Includes questions of interest to chemical educators; areas of quantitative…

  4. The dynamics of questing ticks collected for 164 consecutive months off the vegetation of two landscape zones in the Kruger National Park (1988-2002). Part II. Rhipicephalus appendiculatus and Rhipicephalus zambeziensis.

    PubMed

    Spickett, Arthur M; Gallivan, Gordon J; Horak, Ivan G

    2011-03-24

    The study aimed to assess the long-term population dynamics of questing Rhipicephalus appendiculatus and Rhipicephalus zambeziensis in two landscape zones of the Kruger National Park (KNP). Ticks were collected by dragging the vegetation monthly in three habitats (grassland, woodland and gully) at two sites in the KNP (Nhlowa Road and Skukuza) from August 1988 to March 2002. Larvae were the most commonly collected stage of both species. More R. appendiculatus were collected at Nhlowa Road than at Skukuza, with larvae being most abundant from May to August, while nymphs were most abundant from August to December. Larvae were most commonly collected in the gullies from 1991 to 1994, but in the grassland and woodland habitats from 1998 onwards. Nymphs were most commonly collected in the grassland and woodland. More R. zambeziensis were collected at Skukuza than at Nhlowa Road, with larvae being most abundant from May to September, while nymphs were most abundant from August to November. Larvae and nymphs were most commonly collected in the woodland and gullies and least commonly in the grassland (p < 0.01). The lowest numbers of R. appendiculatus were collected in the mid-1990 s after the 1991/1992 drought. Rhipicephalus zambeziensis numbers declined after 1991 and even further after 1998, dropping to their lowest levels during 2002. The changes in numbers of these two species reflected changes in rainfall and the populations of several of their large herbivore hosts, as well as differences in the relative humidity between the two sites over time.

  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. The Tox21 robotic platform for assessment of environmental chemicals - from vision to reality

    PubMed Central

    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

    2013-01-01

    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. PMID:23732176

  7. 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.

  8. 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.

  9. 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…

  10. 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)

  11. Collection Security.

    ERIC Educational Resources Information Center

    Boss, Richard W.

    1984-01-01

    Presents a systematic approach to the problem of security of library collections and facilities from theft and vandalism. Highlights include responses to losses, defining security needs, typical weaknesses of facilities, policies and procedures that weaken a library's security, conducting a security audit, cost of security, cost-effectiveness, and…

  12. 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

  13. 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.

  14. 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.

  15. 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 .   ...

  16. 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...

  17. 78 FR 47784 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-06

    .... II. Method of Collection Electronic (90%) and paper (10%). III. Data Title: Personal Identity..., DC 20546, (202) 358-2225. SUPPLEMENTARY INFORMATION: I. Abstract Homeland Security Presidential... Information Processing Standard (FIPS) 201: Personal Identity Verification of Federal Employees...

  18. 78 FR 47785 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-06

    .... II. Method of Collection Electronic (90%) and paper (10%) III. Data Title: Personal Identity..., DC 20546, (202) 358-2225. SUPPLEMENTARY INFORMATION: I. Abstract Homeland Security Presidential... Information Processing Standard (FIPS) 201: Personal Identity Verification of Federal Employees...

  19. 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.

  20. 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.

  1. 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,...

  2. 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...

  3. 22 CFR 135.52 - Collection of amounts due.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... accordance with the Federal Claims Collection Standards (4 CFR Ch. II). The date from which interest is...) Making an adminstrative offset against other requests for reimbursements, (2) Withholding...

  4. 22 CFR 135.52 - Collection of amounts due.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... accordance with the Federal Claims Collection Standards (4 CFR Ch. II). The date from which interest is...) Making an adminstrative offset against other requests for reimbursements, (2) Withholding...

  5. Chemical niche differentiation among sympatric species of orchid bees.

    PubMed

    Zimmermann, Yvonne; Ramírez, Santiago R; Eltz, Thomas

    2009-11-01

    Male Neotropical orchid bees (Euglossini) collect volatile substances (fragrances) from flowers and other sources (e.g., decaying wood) and store them in specialized hind tibial pockets. The accumulated chemicals are later emitted during courtship display, presumably to lure conspecific females for mating. We analyzed tibial fragrances of males of 15 sympatric Panamanian species in the genus Euglossa to test whether communities of euglossine bees are chemically structured, and to elucidate whether male fragrance signals evolve to convey premating isolation. Our analysis revealed substantial chemical disparity among all lineages. Disparity was mediated by compounds that were exclusive to certain species but also by differences in relative quantity of shared compounds. We mapped tibial fragrance compounds present in each species on a DNA-based phylogeny (reconstructed using partial sequences of COI, EF1-alpha, ArgK, and Pol-II) and found that most dominant compounds were highly homoplasious. In an analysis of chemical differentiation in relation to phylogenetic divergence through time, disparity was greater than expected from a null model at any point during evolutionary history, suggesting that diversifying selection has shaped fragrance phenotypes. Notably, chemical disparity was greater within recently diverged lineages than among them, suggesting that chemical preferences in orchid bees evolved rapidly in the early stages of species divergence. We postulate communication interference as the possible mechanism behind the observed fragrance differentiation, which may be the product of reproductive character (fragrance) displacement. Our findings are consistent with the hypothesis that male fragrance signals evolve to convey premating isolation.

  6. Amazonian functional diversity from forest canopy chemical assembly

    PubMed Central

    Asner, Gregory P.; Martin, Roberta E.; Tupayachi, Raul; Anderson, Christopher B.; Sinca, Felipe; Carranza-Jiménez, Loreli; Martinez, Paola

    2014-01-01

    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. PMID:24591585

  7. 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. PMID:24591585

  8. 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…

  9. 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…

  10. Chemical Reactors.

    ERIC Educational Resources Information Center

    Kenney, C. N.

    1980-01-01

    Describes a course, including content, reading list, and presentation on chemical reactors at Cambridge University, England. A brief comparison of chemical engineering education between the United States and England is also given. (JN)

  11. 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.

  12. BORE II

    2015-08-01

    Bore II, co-developed by Berkeley Lab researchers Frank Hale, Chin-Fu Tsang, and Christine Doughty, provides vital information for solving water quality and supply problems and for improving remediation of contaminated sites. Termed "hydrophysical logging," this technology is based on the concept of measuring repeated depth profiles of fluid electric conductivity in a borehole that is pumping. As fluid enters the wellbore, its distinct electric conductivity causes peaks in the conductivity log that grow and migratemore » upward with time. Analysis of the evolution of the peaks enables characterization of groundwater flow distribution more quickly, more cost effectively, and with higher resolution than ever before. Combining the unique interpretation software Bore II with advanced downhole instrumentation (the hydrophysical logging tool), the method quantifies inflow and outflow locations, their associated flow rates, and the basic water quality parameters of the associated formation waters (e.g., pH, oxidation-reduction potential, temperature). In addition, when applied in conjunction with downhole fluid sampling, Bore II makes possible a complete assessment of contaminant concentration within groundwater.« less

  13. BORE II

    SciTech Connect

    2015-08-01

    Bore II, co-developed by Berkeley Lab researchers Frank Hale, Chin-Fu Tsang, and Christine Doughty, provides vital information for solving water quality and supply problems and for improving remediation of contaminated sites. Termed "hydrophysical logging," this technology is based on the concept of measuring repeated depth profiles of fluid electric conductivity in a borehole that is pumping. As fluid enters the wellbore, its distinct electric conductivity causes peaks in the conductivity log that grow and migrate upward with time. Analysis of the evolution of the peaks enables characterization of groundwater flow distribution more quickly, more cost effectively, and with higher resolution than ever before. Combining the unique interpretation software Bore II with advanced downhole instrumentation (the hydrophysical logging tool), the method quantifies inflow and outflow locations, their associated flow rates, and the basic water quality parameters of the associated formation waters (e.g., pH, oxidation-reduction potential, temperature). In addition, when applied in conjunction with downhole fluid sampling, Bore II makes possible a complete assessment of contaminant concentration within groundwater.

  14. 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

  15. 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.

  16. 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.

  17. Chemical emergency preparedness program: chemical profiles. Interim guidance

    SciTech Connect

    Not Available

    1985-12-01

    The document, developed by the U.S. Environmental Protection Agency (USEPA) is part of the USEPA National Air Toxics Strategy. The document is provided in support of EPA Chemical Emergency Preparedness Program (CEPP) which deals with accidental release of acutely toxic chemicals. For each acutely toxic chemical listed in the CEPP guidance document (report number PB86-155256), a chemical profile is available. A chemical profile is a collection of information on the chemical identity hazardous identity, physical/chemical characteristics, fire and explosive hazard, reactivity, health hazard, use, and precautions for handling and use of the chemical. The information is presented in the format that conforms as closely as possible to the Occupational Safety and Health Administration (OSHA) recommended format for a Material Safety Data Sheet (MSDS).

  18. Chemical warfare agents.

    PubMed

    Chauhan, S; Chauhan, S; D'Cruz, R; Faruqi, S; Singh, K K; Varma, S; Singh, M; Karthik, V

    2008-09-01

    Chemical warfare agents (CWA's) are defined as any chemical substance whose toxic properties are utilised to kill, injure or incapacitate an enemy in warfare and associated military operations. Chemical agents have been used in war since times immemorial, but their use reached a peak during World War I. During World War II only the Germans used them in the infamous gas chambers. Since then these have been intermittently used both in war and acts of terrorisms. Many countries have stockpiles of these agents. There has been a legislative effort worldwide to ban the use of CWA's under the chemical weapons convention which came into force in 1997. However the manufacture of these agents cannot be completely prohibited as some of them have potential industrial uses. Moreover despite the remedial measures taken so far and worldwide condemnation, the ease of manufacturing these agents and effectiveness during combat or small scale terrorist operations still make them a powerful weapon to reckon with. These agents are classified according to mechanism of toxicity in humans into blister agents, nerve agents, asphyxiants, choking agents and incapacitating/behavior altering agents. Some of these agents can be as devastating as a nuclear bomb. In addition to immediate injuries caused by chemical agents, some of them are associated with long term morbidities and psychological problems. In this review we will discuss briefly about the historical background, properties, manufacture techniques and industrial uses, mechanism of toxicity, clinical features of exposure and pharmacological management of casualties caused by chemical agents. PMID:21783898

  19. Oscillator strength measurements in samarium(II), neodymium(II) and praseodymium(II)

    NASA Astrophysics Data System (ADS)

    Li, Ruohong

    A knowledge of the abundances of lanthanide ions in stellar photospheres is valuable in astrophysics, especially for chemically peculiar stars. However, the determination of elemental abundances is often limited by inadequate knowledge of oscillator strengths. Combining independently measured values of radiative lifetimes and branching fractions is an effective and precise method to measure oscillator strengths. It avoids absolute intensity measurements, requiring a knowledge of the absolute number density of particles and absolute measurements of intensity, and furthermore decreases the systematic error greatly. In the previous work of our group, the lifetimes of Sm II, Nd II and Pr II were obtained. In this thesis work, we measured the corresponding branching fractions of these lanthanide ions using a fast-ion-beam laser-induced- fluorescence technique. The power of this technique is that ions are selectively excited by a laser, which ensures that every branch comes from a single upper level and gets rid of spectral blends. Besides, the low ion-beam density ensures that the systematic errors due to collisions and radiation trapping are negligible. Combining the branching fractions with our previously measured lifetimes, we obtained 608, 430 and 260 oscillator strength values for Sm II, Nd II and Pr II transitions, respectively, over the wavelength range 350-850 nm. These transitions originate from 69 upper levels in the range 21 655 cm -1 -29 388 cm -1 for Sm II, 46 upper levels in the range 22 697 cm -1 -29 955 cm -1 for Nd II, and 32 levels in the range 22 040 cm -1 -28 577 cm -1 for Pr II. Of the 260 measured oscillator strength values of Pr II, 183 have been determined accurately for the first time. The uncertainties arise principally from systematic uncertainties of the efficiency calibration of the optical detection system (7.1%), with smaller statistical contributions (1.5%). Comparisons are made to prior measurements.

  20. 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.

  1. 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

    2015-12-01

    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.

  2. Electronic and chemical state of aluminum from the single- (K) and double-electron excitation (KLII&III, KLI) x-ray absorption near-edge spectra of α-alumina, sodium aluminate, aqueous Al³⁺•(H₂O)₆, and aqueous Al(OH)₄⁻

    SciTech Connect

    Fulton, John L.; Govind, Niranjan; Huthwelker, Thomas; Bylaska, Eric J.; Vjunov, Aleksei; Pin, Sonia; Smurthwaite, Tricia D.

    2015-07-02

    We probe, at high energy resolution, the double electron excitation (KLII&II) x-ray absorption region that lies approximately 115 eV above the main Al K-edge (1566 eV) of α-alumina and sodium aluminate. The two solid standards, α-alumina (octahedral) and sodium aluminate (tetrahedral) are compared to aqueous species that have the same Al coordination symmetries, Al³⁺•6H₂O (octahedral) and Al(OH)₄⁻ (tetrahedral). For the octahedral species, the edge height of the KLII&III-edge is approximately 10% of the main K-edge however the edge height is much weaker (3% of K-edge height) for Al species with tetrahedral symmetry. For the α-alumina and aqueous Al³⁺•6H₂O the KLII&III spectra contain white line features and extended absorption fine structure (EXAFS) that mimics the K-edge spectra. The KLII&III-edge feature interferes with an important region of the extended-XAFS region of the spectra for the K-edge of the crystalline and aqueous standards. The K-edge spectra and K-edge positions are predicted using time-dependent density functional theory (TDDFT). The TDDFT calculations for the K-edge XANES spectra reproduce the observed transitions in the experimental spectra of the four Al species. The KLII&III and KLI onsets and their corresponding chemical shifts for the four standards are estimated using the delta self-consistent field (ΔSCF) method. Research by JLF, NG, EJB, AV, TDS was supported by U.S. Department of Energy’s (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. NG thanks Amity Andersen for help with the α-Al₂O₃ and tetrahedral sodium aluminate (NaAlO₂) clusters. All the calculations were performed using the Molecular Science Computing Capability at EMSL, a national scientific user facility sponsored by the U.S. Department of Energy’s Office of Biological and Environmental Research and located at

  3. 75 FR 65671 - Notice of Information Collection

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-26

    ... 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.......

  4. 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.......

  5. 7 CFR 633.14 - Debt collection.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ....C. 3701) and the regulations found in 4 CFR chapter II. ... 7 Agriculture 6 2011-01-01 2011-01-01 false Debt collection. 633.14 Section 633.14 Agriculture... AGRICULTURE LONG TERM CONTRACTING WATER BANK PROGRAM § 633.14 Debt collection. Any debts arising under...

  6. 7 CFR 633.14 - Debt collection.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ....C. 3701) and the regulations found in 4 CFR chapter II. ... 7 Agriculture 6 2010-01-01 2010-01-01 false Debt collection. 633.14 Section 633.14 Agriculture... AGRICULTURE LONG TERM CONTRACTING WATER BANK PROGRAM § 633.14 Debt collection. Any debts arising under...

  7. Chemicals, Health, Environment, and Me.

    ERIC Educational Resources Information Center

    California Univ., Berkeley. Lawrence Hall of Science.

    The CHEM (Chemicals, Health, Environment, and Me) Project is a series of 10 units designed to provide experiences for fifth and sixth graders that help them to accomplish an understanding of: (1) the nature of chemicals and how they interact with the environment; (2) how to collect, process, and analyze information; (3) how to use scientific…

  8. [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.

  9. 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.

  10. 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)

  11. 32 CFR 705.29 - Navy Art Collection.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... World War II. The schedule of “Operation Palette I” is promulgated by the Officer-in-Charge, Navy... World War II. The present Navy Combat Art Collection contains over 4,000 paintings and sketches. A significant number of new works is being added each year. The combat artists of World War II have...

  12. 32 CFR 705.29 - Navy Art Collection.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... World War II. The schedule of “Operation Palette I” is promulgated by the Officer-in-Charge, Navy... World War II. The present Navy Combat Art Collection contains over 4,000 paintings and sketches. A significant number of new works is being added each year. The combat artists of World War II have...

  13. 32 CFR 705.29 - Navy Art Collection.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... World War II. The schedule of “Operation Palette I” is promulgated by the Officer-in-Charge, Navy... World War II. The present Navy Combat Art Collection contains over 4,000 paintings and sketches. A significant number of new works is being added each year. The combat artists of World War II have...

  14. 32 CFR 705.29 - Navy Art Collection.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... World War II. The schedule of “Operation Palette I” is promulgated by the Officer-in-Charge, Navy... World War II. The present Navy Combat Art Collection contains over 4,000 paintings and sketches. A significant number of new works is being added each year. The combat artists of World War II have...

  15. 32 CFR 705.29 - Navy Art Collection.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... World War II. The schedule of “Operation Palette I” is promulgated by the Officer-in-Charge, Navy... World War II. The present Navy Combat Art Collection contains over 4,000 paintings and sketches. A significant number of new works is being added each year. The combat artists of World War II have...

  16. 75 FR 70339 - Agency Information Collection Activities: Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-17

    ... monthly benefit to a qualified World War II veteran who resides outside the United States. When an... 60-day Federal Register notice for this collection on August 2, 2010 at 75 FR 45190, the burden... Web Service-- $200,000.\\ii\\ \\ii\\ A company may choose to submit batch files via the SSA web site...

  17. Chemical microsensors

    DOEpatents

    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.

  18. Dependence of the chemical properties of macrocyclic [Ni(II)(2)L(μ-O(2)CR)](+) complexes on the basicity of the carboxylato coligands (L(2-) = macrocyclic N(6)S(2) ligand).

    PubMed

    Lehmann, Ulrike; Klingele, Julia; Lozan, Vasile; Steinfeld, Gunther; Klingele, Marco H; Käss, Steffen; Rodenstein, Axel; Kersting, Berthold

    2010-12-01

    The dependence of the properties of mixed ligand [Ni(II)(2)L(μ-O(2)CR)](+) complexes (where L(2-) represents a 24-membered macrocyclic hexaamine-dithiophenolato ligand) on the basicity of the carboxylato coligands has been examined. For this purpose 19 different [Ni(II)(2)L(μ-O(2)CR)](+) complexes (2-20) incorporating carboxylates with pK(b) values in the range 9 to 14 have been prepared by the reaction of [Ni(II)(2)L(μ-Cl)](+) (1) and the respective sodium or triethylammonium carboxylates. The resulting carboxylato complexes, isolated as ClO(4)(-) or BPh(4)(-) salts, have been fully characterized by elemental analyses, IR, UV/vis spectroscopy, and X-ray crystallography. The possibility of accessing the [Ni(II)(2)L(μ-O(2)CR)](+) complexes by carboxylate exchange reactions has also been examined. The main findings are as follows: (i) Substitution reactions between 1 and NaO(2)CR are not affected by the basicity or the steric hindrance of the carboxylate. (ii) Complexes 2-20 form an isostructural series of bisoctahedral [Ni(II)(2)L(μ-O(2)CR)](+) compounds with a N(3)Ni(μ-SR)(2)(μ-O(2)CR)NiN(3) core. (iii) They are readily identified by their ν(as)(CO) and ν(s)(CO) stretching vibration bands in the ranges 1684-1576 cm(-1) and 1428-1348 cm(-1), respectively. (iv) The spin-allowed (3)A(2g) → (3)T(2g) (ν(1)) transition of the NiOS(2)N(3) chromophore is steadily red-shifted by about 7.5 nm per pK(b) unit with increasing pK(b) of the carboxylate ion. (v) The less basic the carboxylate ion, the more stable the complex. The stability difference across the series, estimated from the difference of the individual ligand field stabilization energies (LFSE), amounts to about 4.2 kJ/mol [Δ(LFSE)(2,18)]. (vi) The "second-sphere stabilization" of the nickel complexes is not reflected in the electronic absorption spectra, as these forces are aligned perpendicularly to the Ni-O bonds. (vii) Coordination of a basic carboxylate donor to the [Ni(II)(2)L](2+) fragment weakens

  19. 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.

  20. Chemical sensors

    DOEpatents

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1991-07-02

    Sensors responsive to small changes in the concentration of chemical species are disclosed. The sensors comprise a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment. They are operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical response. 9 figures.

  1. Chemical Peels

    MedlinePlus

    ... the complications or potential side effects of a chemical peel? Temporary or permanent change in skin color, particularly for women on birth control pills, who subsequently become pregnant or have a history of brownish facial ... after having a chemical peel? All peels require some follow-up care: ...

  2. Chemical preconcentrator

    DOEpatents

    Manginell, Ronald P.; Frye-Mason, Gregory C.

    2001-01-01

    A chemical preconcentrator is disclosed with applications to chemical sensing and analysis. The preconcentrator can be formed by depositing a resistive heating element (e.g. platinum) over a membrane (e.g. silicon nitride) suspended above a substrate. A coating of a sorptive material (e.g. a microporous hydrophobic sol-gel coating or a polymer coating) is formed on the suspended membrane proximate to the heating element to selective sorb one or more chemical species of interest over a time period, thereby concentrating the chemical species in the sorptive material. Upon heating the sorptive material with the resistive heating element, the sorbed chemical species are released for detection and analysis in a relatively high concentration and over a relatively short time period. The sorptive material can be made to selectively sorb particular chemical species of interest while not substantially sorbing other chemical species not of interest. The present invention has applications for use in forming high-sensitivity, rapid-response miniaturized chemical analysis systems (e.g. a "chem lab on a chip").

  3. 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.

  4. Chemical Emergencies

    MedlinePlus

    ... agents such as sarin and VX. Many hazardous chemicals are used in industry - for example, chlorine, ammonia, and benzene. Some can be made from everyday items such as household cleaners. Although there are no guarantees of safety during a chemical emergency, you can take actions to protect yourself. ...

  5. Chemical threats.

    PubMed

    Fry, Donald E

    2006-06-01

    The use of chemical agents as military weapons has been recognized for many centuries but reached the most feared and publicized level during World War I. Considerable political effort has been exercised in the twentieth century to restrict military strategies with chemicals. However, considerable concern currently exists that chemical weapons may be used as agents in civilian terrorism. The distribution of acetaminophen tablets contaminated with potassium cyanide and the release of sarin in the Tokyo sub-way system show that larger-scale deployment of chemical agents can be a reality. This reality makes it necessary for civilian disaster-planning strategies to incorporate an understanding of chemical agents, their effects, and the necessary treatment.

  6. Adsorption of Cu(II), Ni(II) and Zn(II) on modified jute fibres.

    PubMed

    Shukla, S R; Pai, Roshan S

    2005-09-01

    The potential of a lignocellulosic fibre, jute, was assessed for adsorption of heavy metal ions like Cu(II), Ni(II) and Zn(II) from their aqueous solutions. The fibre was also used as adsorbent after chemically modifying it by two different techniques viz, loading of a dye with specific structure, C.I. Reactive Orange 13, and oxidising with hydrogen peroxide. Both the modified jute fibres gave higher metal ion adsorption. Thus, the dye loaded jute fibres showed metal ion uptake values of 8.4, 5.26 and 5.95 mg/g for Cu(II), Ni(II) and Zn(II), respectively, while the corresponding values for oxidised jute fibres were 7.73, 5.57 and 8.02 mg/g, as against 4.23, 3.37 and 3.55 mg/g for unmodified jute fibres. Adsorption isotherm models indicated best fit for Langmuir model for the modified jute fibres. The adsorption values decreased with lowering of pH. The desorption efficiency, regenerative and reuse capacity of these adsorbents were also assessed for three successive adsorption-desorption cycles. The adsorptive capacity was retained only when the caustic soda regeneration is carried out as an intermediate step after desorption. Possible mechanism has been given.

  7. Gas Phase Chemical Detection with an Integrated Chemical Analysis System

    SciTech Connect

    Baca, Albert G.; Casalnuovo, Stephen A.; Frye-Mason, Gregory C.; Heller, Edwin J.; Hietala, Susan L.; Hietala, Vincent M.; Kottenstette, Richard J.; Lewis, Patrick R.; Manginell, Ronald P.; Matzke, Carloyn M.; Reno, John L.; Sasaki, Darryl Y.; Schubert, W. Kent

    1999-07-08

    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 concentrator 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. The design and performance of novel micromachined acoustic wave devices, with the potential for improved chemical sensitivity, are also described.

  8. Collection, Isolation and Culture of Marine Algae.

    ERIC Educational Resources Information Center

    James, Daniel E.

    1984-01-01

    Methods of collecting, isolating, and culturing microscopic and macroscopic marine algae are described. Three different culture media list of chemicals needed and procedures for preparing Erdschreiber's and Provasoli's E. S. media. (BC)

  9. Chemical and ancillary data associated with bed sediment, young of year Bluefish (Pomatomus saltatrix) tissue, and mussel (Mytilus edulis and Geukensia demissa) tissue collected after Hurricane Sandy in bays and estuaries of New Jersey and New York, 2013–14

    USGS Publications Warehouse

    Smalling, Kelly L.; Deshpande, Ashok D.; Blazer, Vicki; Galbraith, Heather S.; Dockum, Bruce W.; Romanok, Kristin M.; Colella, Kaitlyn; Deetz, Anna C.; Fisher, Irene J.; Imbrigiotta, Thomas E.; Sharack, Beth; Summer, Lisa; Timmons, DeMond; Trainor, John J.; Wieczorek, Daniel; Samson, Jennifer; Reilly, Timothy J.; Focazio, Michael J.

    2015-09-09

    Twenty three PCB congeners, 9 PBDE congeners, and 20 OCPs were detected in composite mussel samples collected throughout the study area. The co-eluting PCB congeners 153 and 132, PBDE 47, 99, and 100, and p,p’-DDE were detected in samples from each site. The highest median concentrations of PCBs and PBDEs were present in mussels from Raritan Bay, N.Y., whereas the highest median concentrations of OCPs were present in mussels from Fire Island Inlet, N.Y., and Shark River, N.J. Mytilus edulis (blue mussels) and Geukensia demissa (ribbed mussels) were thin-sectioned and aged. The blue mussels collected ranged in age from 4 to 13 years, and the ribbed mussels ranged in age from 3 to 12 years.

  10. Chemical and ancillary data associated with bed sediment, young of year Bluefish (Pomatomus saltatrix) tissue, and mussel (Mytilus edulis and Geukensia demissa) tissue collected after Hurricane Sandy in bays and estuaries of New Jersey and New York, 2013–14

    USGS Publications Warehouse

    Smalling, Kelly L.; Deshpande, Ashok D.; Blazer, Vicki; Galbraith, Heather S.; Dockum, Bruce W.; Romanok, Kristin M.; Colella, Kaitlyn; Deetz, Anna C.; Fisher, Irene J.; Imbrigiotta, Thomas E.; Sharack, Beth; Summer, Lisa; Timmons, DeMond; Trainor, John J.; Wieczorek, Daniel; Samson, Jennifer; Reilly, Timothy J.; Focazio, Michael J.

    2015-01-01

    Twenty three PCB congeners, 9 PBDE congeners, and 20 OCPs were detected in composite mussel samples collected throughout the study area. The co-eluting PCB congeners 153 and 132, PBDE 47, 99, and 100, and p,p’-DDE were detected in samples from each site. The highest median concentrations of PCBs and PBDEs were present in mussels from Raritan Bay, N.Y., whereas the highest median concentrations of OCPs were present in mussels from Fire Island Inlet, N.Y., and Shark River, N.J. Mytilus edulis (blue mussels) and Geukensia demissa (ribbed mussels) were thin-sectioned and aged. The blue mussels collected ranged in age from 4 to 13 years, and the ribbed mussels ranged in age from 3 to 12 years.

  11. Bright ideas for chemical biology.

    PubMed

    Lavis, Luke D; Raines, Ronald T

    2008-03-20

    Small-molecule fluorescent probes embody an essential facet of chemical biology. Although numerous compounds are known, the ensemble of fluorescent probes is based on a modest collection of modular "core" dyes. The elaboration of these dyes with diverse chemical moieties is enabling the precise interrogation of biochemical and biological systems. The importance of fluorescence-based technologies in chemical biology elicits a necessity to understand the major classes of small-molecule fluorophores. Here, we examine the chemical and photophysical properties of oft-used fluorophores and highlight classic and contemporary examples in which utility has been built upon these scaffolds.

  12. Surface catalysis of uranium(VI) reduction by iron(II)

    NASA Astrophysics Data System (ADS)

    Liger, Emmanuelle; Charlet, Laurent; Van Cappellen, Philippe

    1999-10-01

    variability of the rate constant can be accounted for entirely by changes in the concentration of the Fe(II) monohydroxo surface complex ≡FeIIIOFeIIOH0. Therefore, the following rate law is derived for the hematite-catalyzed reduction of uranyl by Fe(II), {d[U(VI)]}/{dt}=-k[≡FeIIIOFeIIOH0][U(VI)]ads where the bimolecular rate constant k has a value of 399 ± 25 M-1 min-1 at 25°C. The hydroxo surface complex is the rate-controlling reductant species, because it provides the most favorable coordination environment in which electrons are removed from Fe(II). Natural particulate matter collected in the hypolimnion of a seasonally stratified lake also causes the rapid reduction of uranyl by Fe(II). Ferrihydrite, identified in the particulate matter by X-ray diffraction, is one possible mineral phase accelerating the reaction between U(VI) and Fe(II). At near-neutral pH and total Fe(II) levels less than 1 mM, the pseudo-first-order rate constants of chemical U(VI) reduction, measured in the presence of the hematite and lake particles, are of the same order of magnitude as the highest corresponding rate coefficients for enzymatic U(VI) reduction in bacterial cultures. Hence, based on the results of this study, surface-catalyzed U(VI) reduction by Fe(II) is expected to be a major pathway of uranium immobilization in a wide range of redox-stratified environments.

  13. High-resolution probing of local conformational changes in proteins by the use of multiple labeling: unfolding and self-assembly of human carbonic anhydrase II monitored by spin, fluorescent, and chemical reactivity probes.

    PubMed

    Hammarström, P; Owenius, R; Mårtensson, L G; Carlsson, U; Lindgren, M

    2001-06-01

    Two different spin labels, N-(1-oxyl-2,2,5,5-tetramethyl-3-pyrrolidinyl)iodoacetamide (IPSL) and (1-oxyl-2,2,5,5-tetramethylpyrroline-3-methyl) methanethiosulfonate (MTSSL), and two different fluorescent labels 5-((((2-iodoacetyl)amino)-ethyl)amino)naphtalene-1-sulfonic acid (IAEDANS) and 6-bromoacetyl-2-dimetylaminonaphtalene (BADAN), were attached to the introduced C79 in human carbonic anhydrase (HCA II) to probe local structural changes upon unfolding and aggregation. HCA II unfolds in a multi-step manner with an intermediate state populated between the native and unfolded states. The spin label IPSL and the fluorescent label IAEDANS reported on a substantial change in mobility and polarity at both unfolding transitions at a distance of 7.4-11.2 A from the backbone of position 79. The shorter and less flexible labels BADAN and MTSSL revealed less pronounced spectroscopic changes in the native-to-intermediate transition, 6.6-9.0 A from the backbone. At intermediate guanidine (Gu)-HCl concentrations the occurrence of soluble but irreversibly aggregated oligomeric protein was identified from refolding experiments. At approximately 1 M Gu-HCl the aggregation was found to be essentially complete. The size and structure of the aggregates could be varied by changing the protein concentration. EPR measurements and line-shape simulations together with fluorescence lifetime and anisotropy measurements provided a picture of the self-assembled protein as a disordered protein structure with a representation of both compact as well as dynamic and polar environments at the site of the molecular labels. This suggests that a partially folded intermediate of HCA II self-assembles by both local unfolding and intermolecular docking of the intermediates vicinal to position 79. The aggregates were determined to be 40-90 A in diameter depending on the experimental conditions and spectroscopic technique used.

  14. Thiol-functionalized polysilsesquioxane as efficient adsorbent for adsorption of Hg(II) and Mn(II) from aqueous solution

    SciTech Connect

    Niu, Yuzhong Qu, Rongjun; Liu, Xiguang; Mu, Lei; Bu, Baihui; Sun, Yuting; Chen, Hou; Meng, Yangfeng; Meng, Lina; Cheng, Lin

    2014-04-01

    Highlights: • PMPSQ was promising adsorbent for the removal of Hg(II) and Mn(II). • The adsorption kinetics followed the pseudo-second-order model. • The adsorption isotherms can be described by the monolayer Langmuir model. • The adsorption was controlled by film diffusion and chemical ion-exchange mechanism. - Abstract: Thiol-functionalized polysilsesquioxane was synthesized and used for the adsorption of Hg(II) and Mn(II) from aqueous solution. Results showed that the optimal pH was about 6 and 5 for Hg(II) and Mn(II), respectively. Adsorption kinetics showed that the adsorption equilibriums were established within 100 min and followed pseudo-second-order model. Adsorption isotherms revealed that the adsorption capacities increased with the increasing of temperature. The adsorption was found to be well described by the monolayer Langmuir isotherm model and took place by chemical ion-exchange mechanism. The thermodynamic properties indicated the adsorption processes were spontaneous and endothermic nature. Selectively adsorption showed that PMPSQ can selectively adsorb Hg(II) from binary ion systems in the presence of the coexistent ions Mn(II), Cu(II), Pb(II), Co(II), and Ni(II). Based on the results, it is concluded that PMPSQ had comparable high adsorption efficiency and could be potentially used for the removal of Hg(II) and Mn(II) from aqueous solution.

  15. Chemical peeling.

    PubMed

    Forte, R; Hack, J; Jackson, I T

    1993-01-01

    This article explores the wide range of chemical facial peels, which include phenol, trichloroacetic acid, and alpha-hydroxy acids. The application of these substances will be described in addition to the contraindications to this type of treatment.

  16. Unnecessary Chemicals

    ERIC Educational Resources Information Center

    Johnson, Anita

    1978-01-01

    Discusses the health hazards resulting from chemical additions of many common products such as cough syrups, food dyes, and cosmetics. Steps being taken to protect consumers from these health hazards are included. (MDR)

  17. Chemical sensors

    DOEpatents

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1992-06-09

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising a mechanicochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, either operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical or optical response, or adhered to a second inert polymeric strip, or doped with a conductive material. 12 figs.

  18. Chemical sensors

    DOEpatents

    Lowell, Jr., James R.; Edlund, David J.; Friesen, Dwayne T.; Rayfield, George W.

    1992-01-01

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising a mechanicochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, either operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical or optical response, or adhered to a second inert polymeric strip, or doped with a conductive material.

  19. 78 FR 60867 - Agency Information Collection Activities; Proposed Collection; Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-10-02

    ...) to the Office of Management and Budget (OMB). The ICR, titled: ``Safer Detergent Stewardship... collection. II. What information collection activity or ICR does this action apply to? Title: Safer Detergent... regulations is consolidated in 40 CFR part 9. Abstract: The Safer Detergent Stewardship Initiative (SDSI) is...

  20. Program Management Collection. "LINCS" Resource Collection News

    ERIC Educational Resources Information Center

    Literacy Information and Communication System, 2011

    2011-01-01

    This edition of "'LINCS' Resource Collection News" features the Program Management Collection, which covers the topics of Assessment, Learning Disabilities, and Program Improvement. Each month Collections News features one of the three "LINCS" (Literacy Information and Communication System) Resource Collections--Basic Skills, Program Management,…