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Sample records for organic azeotropic mixtures

  1. Separation of organic azeotropic mixtures by pervaporation

    SciTech Connect

    Baker, R.W.

    1991-12-01

    Distillation is a commonly used separation technique in the petroleum refining and chemical processing industries. However, there are a number of potential separations involving azetropic and close-boiling organic mixtures that cannot be separated efficiently by distillation. Pervaporation is a membrane-based process that uses selective permeation through membranes to separate liquid mixtures. Because the separation process is not affected by the relative volatility of the mixture components being separated, pervaporation can be used to separate azetropes and close-boiling mixtures. Our results showed that pervaporation membranes can be used to separate azeotropic mixtures efficiently, a result that is not achievable with simple distillation. The membranes were 5--10 times more permeable to one of the components of the mixture, concentrating it in the permeate stream. For example, the membrane was 10 times more permeable to ethanol than methyl ethyl ketone, producing 60% ethanol permeate from an azeotropic mixture of ethanol and methyl ethyl ketone containing 18% ethanol. For the ethyl acetate/water mixture, the membranes showed a very high selectivity to water (> 300) and the permeate was 50--100 times enriched in water relative to the feed. The membranes had permeate fluxes on the order of 0.1--1 kg/m{sup 2}{center dot}h in the operating range of 55--70{degrees}C. Higher fluxes were obtained by increasing the operating temperature.

  2. Separation of organic azeotropic mixtures by pervaporation. Final technical report

    SciTech Connect

    Baker, R.W.

    1991-12-01

    Distillation is a commonly used separation technique in the petroleum refining and chemical processing industries. However, there are a number of potential separations involving azetropic and close-boiling organic mixtures that cannot be separated efficiently by distillation. Pervaporation is a membrane-based process that uses selective permeation through membranes to separate liquid mixtures. Because the separation process is not affected by the relative volatility of the mixture components being separated, pervaporation can be used to separate azetropes and close-boiling mixtures. Our results showed that pervaporation membranes can be used to separate azeotropic mixtures efficiently, a result that is not achievable with simple distillation. The membranes were 5--10 times more permeable to one of the components of the mixture, concentrating it in the permeate stream. For example, the membrane was 10 times more permeable to ethanol than methyl ethyl ketone, producing 60% ethanol permeate from an azeotropic mixture of ethanol and methyl ethyl ketone containing 18% ethanol. For the ethyl acetate/water mixture, the membranes showed a very high selectivity to water (> 300) and the permeate was 50--100 times enriched in water relative to the feed. The membranes had permeate fluxes on the order of 0.1--1 kg/m{sup 2}{center_dot}h in the operating range of 55--70{degrees}C. Higher fluxes were obtained by increasing the operating temperature.

  3. Near azeotropic mixture substitute

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (Inventor)

    1996-01-01

    The present invention comprises a refrigerant mixture consisting of a first mole fraction of 1,1,1,2-tetrafluoroethane (R134a) and a second mole fraction of a component selected from the group consisting of a mixture of CHClFCF.sub.3 (R124) and CH.sub.3 CClF.sub.2 (R142b); a mixture of CHF.sub.2 CH.sub.3 (R152a) and CHClFCF.sub.3 (R124); a mixture of CHF.sub.2 CH.sub.3 (R152a) and CH.sub.3 CClF.sub.2 (R142b); and a mixture of CHClFCF.sub.3 (R124), CH.sub.3 CClF.sub.2 (R142b) and CHF.sub.2 CH.sub.3 (R152a).

  4. Nearly Azeotropic Mixtures To Replace Refrigerant 12

    NASA Technical Reports Server (NTRS)

    Jones, Jack A.

    1992-01-01

    Number of nearly azeotropic fluid mixtures have saturation pressures similar to Refrigerant 12 while being about 2 percent as damaging to ozone layer. Five mixtures of R134a, R152a, R124, and R142b have low boiling-point spreads, low toxicity, and low ozone-damaging capability, are nonflammable, and more compatible with conventional oils than R134a. Pressure of combinations nearly equal to R12, and mixtures may be good "drop-in substitutes". Overall composition not altered by leakage. Usable in commercial, automotive, and household refrigerators and air conditioners.

  5. Near azeotropic mixture substitute for dichlorodifluoromethane

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (Inventor)

    1998-01-01

    A refrigerant and a process of formulating thereof that consists of a mixture of a first mole fraction of CH.sub.2 FCF.sub.3 and a second mole fraction of a component selected from the group consisting of a mixture of CHClFCF.sub.3 and CH.sub.3 CClF.sub.2 ; a mixture of CHF.sub.2 CH.sub.3 and CH.sub.3 CClF.sub.2 ; and a mixture of CHClFCF.sub.3, CH.sub.3 CClF.sub.2 and CHF.sub.2 CH.sub.3.

  6. Near azeotropic mixture substitute for dichlorodifluoromethane

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (Inventor)

    1996-01-01

    The present invention comprises a refrigerant mixture having two halocarbon components. The first component is present in a mole fraction of about 0.7 to less than 1.0 while the second component is present in a mole fraction of more than 0.0 to about 0.3. The first component is CH.sub.2 FCF.sub.3. The second component can be CHClFCF.sub.3, CH.sub.3 CClF.sub.2, a mixture of CHClFCF.sub.3 and CH.sub.3 CClF.sub.2, a mixture of CHF.sub.2 CH.sub.3 and CHClFCF.sub.3, a mixture of CHF.sub.2 CH.sub.3 and CH.sub.3 CClF.sub.2, or a mixture of CHClFCF.sub.3, CH.sub.3 CClF.sub.2 and CHF.sub.2 CH.sub.3. The preferred embodiment of this invention comprises about 0.7 to less than 1.0 mole fraction CH.sub.2 FCF.sub.3, and more than 0.0 to about 0.3 mole fraction of a mixture of CHClFCF.sub.3 and CH.sub.3 CClF.sub.2. The most preferred embodiment of this invention comprises about 0.7 to less than 1.0 mole fraction CH.sub.2 FCF.sub.3 and more than 0.0 to about 0.3 mole fraction CH.sub.3 CClF.sub.2. The resulting refrigerant has a vapor pressure close to-that of CF.sub.2 Cl.sub.2, a nearly constant vapor pressure with evaporation, and is substantially less damaging to the Earth's ozone layer than CF.sub.2 Cl.sub.2.

  7. A PROCESS FOR SEPARATING AZEOTROPIC MIXTURES BY EXTRACTIVE AND CONVECTIVE DISTILLATION

    DOEpatents

    Frazer, J.W.

    1961-12-19

    A method is described for separating an azeotrope of carbon tetrachloride and 1,1,2,2-tetrafluorodinitroethane boiling at 60 deg C. The ndethod comnprises, specifically, feeding azeotrope vapors admixed with a non- reactive gas into an extractive distillation column heated to a temperature preferably somewhat above the boiling point of the constant boiling mixture. A solvent, di-n-butylphthalate, is metered into the column above the gas inlet and permitted to flow downward, earrying with it the higher bomling fraction, while the constituent having the lower boiling point passes out of the top of the column with the non-reactive gas and is collected in a nitrogen cold trap. Other solvents which alter the vapor pressure relationship may be substituted. The method is generally applicable to azeotropic mixtures. A number of specific mixtures whicb may be separated are disclosed. (AEC)

  8. Heat transfer in pool boiling of binary and ternary non-azeotropic mixtures

    NASA Astrophysics Data System (ADS)

    Nahra, Ziad; Næss, Erling

    2009-05-01

    Heat transfer coefficients in nucleate pool boiling of binary and ternary non-azeotropic hydrocarbon mixtures were obtained experimentally using a vertical electrically heated cylindrical carbon steel surface at atmospheric pressure with several surface roughness. The fluids used were Methanol/1-Pentanol and Methanol/1-Pentanol/1,2-Propandiol at constant 1,2-Propandiol mole fraction of 30%. Heat fluxes were varied in the range 25-235 kW/m2. The cylindrical heater surface was polished to an average surface roughness of 0.2 μm, and sandblasted yielding surface roughness of 2.98 and 4.35 μm, respectively. The experimental results were compared to available prediction correlations, indicating that the correlations based on the boiling range are in better qualitative agreement than correlations based on the phase envelope. Increasing surface roughness resulted in an increase in the heat transfer coefficient, and the effect was observed to be dependent on the heat flux and fluid composition.

  9. Performance of Pentaborane, Pentaborane - JP-4 Fuel Mixtures, and Trimethylborate Azeotrope Fuel in a Full-scale Turbojet Engine

    NASA Technical Reports Server (NTRS)

    Breitwiesser, Roland; Useller, James W.

    1956-01-01

    This report summarizes the full-scale engine tests of pentaborane, pentaborane - JP-4 fuel mixtures, and trimethylborate azeotrope fuel. The tests were conducted in a full-scale turbojet engine at a simulated altitude of 50,000 feet and Mach number of 0.08. Engine speeds were 90 to 100 percent of rated speed. Pentaborane reduced the the specific fuel consumption to two-thirds that of JP-4 fuel. However, because boron oxide collected in the engine, the performance deteriorated with continued operation of pentaborane in each of the short-duration tests reported.

  10. Theoretical Consideration on the Characteristics and the Performance Evaluation for a Heat Pump Cycle of Non-azeotropic Refrigerant Mixtures

    NASA Astrophysics Data System (ADS)

    Fujii, Tetsu; Koyama, Shigeru; Miyara, Akio

    The present paper treats a possibility of performance improvement and its evaluation method for a heat pump cycle of non-azeotropic refrigerant mixtures. Calculation is made for R22 + R114 and R22 + R11 mixtures under the conditions that the inlet temperature and flow rates of heat source fluids through a condenser and an evaporator of counter flow type, heat pump thermal output and FK-value (heat transfer area times average overall heat transfer coefficient) are given. It is graphically shown that the coefficient of performance (COP)h, pressures and volumetric flow rates at suction and discharge ports of a compressor depend on the FK-value and on the flow rate of heat source fluid as well as mixture composition. The characteristics of the heat pump cycle thus obtained are markedly different from those, in which the state points of the refrigerant mixture are fixed.

  11. SIMULATION OF NON-AZEOTROPIC REFRIGERANT MIXTURES FOR USE IN A DUAL-CIRCUIT REFRIGERATOR/FREEZER WITH COUNTERCURRENT HEAT EXCHANGES

    EPA Science Inventory

    The paper discusses a refrigerator/freezer (RF) system that has two complete and independent refrigeration cycles for the two compartments. It uses a non-azeotropic refrigerant mixture (NARM) in each cycle and countercurrent heat exchangers throughout. This RF is housed in a stan...

  12. Recovery of organic carbon from atmospheric particulate matter using soxhlet extraction with the benzene/methanol azeotrope

    SciTech Connect

    Barkenbus, B.D.; Griest, W.H.; Huntzicker, J.J.; Heyerdahl, E.K.; MacDougall, C.S.

    1983-01-01

    The extraction efficiency of the benzene/methanol azeotrope for organic carbon in atmospheric particulate matter was determined using a carbon types analyzer and also radio-labeled tracers and liquid scintillation spectroscopy. A twenty-four hour Soxhlet extraction with the azeotrope extracts 76 percent of the organic carbon, 15 percent of the elemental carbon, and 61 percent of the total carbon. Nonpolar and moderately polar organic compounds such as dotriacontane, benzo(a)pyrene, and stearic acid are extracted with 95 percent recovery. Highly polar oxygenated species such as succinic acid are extracted with an efficiency of 82 percent. The Soxhlet extractor was more efficient than ultrasonication for the extraction of highly polar species.

  13. Reliable computation of homogeneous azeotropes

    SciTech Connect

    Maier, R.W.; Brennecke, J.F.; Stadtherr, M.A.

    1998-08-01

    It is important to determine the existence and composition of homogeneous azeotropes in the analysis of phase behavior and in the synthesis and design of separation systems, from both theoretical and practical standpoints. A new method for reliably locating any and all homogeneous azeotropes for multicomponent mixtures is presented. The method also verifies the nonexistence of homogeneous azeotropes if none are present. The method is based on interval analysis, in particular an interval-Newton/generalized-bisection-algorithm providing a mathematical and computational guarantee that all azeotropes are located. This general-purpose technique can be applied in connection with any thermodynamic models. The technique is illustrated in several example problems using the Wilson, NRTL, and UNIQUAC activity-coefficient models.

  14. Two-Phase Flow and Energy Transfer of a Non-Azeotropic Mixture, R-407c, in a Micro-Fin Tube

    NASA Astrophysics Data System (ADS)

    Liu, Xin

    1996-11-01

    This study is to determine experimentally the two-phase flow and energy transfer characteristics of a non-azeotropic refrigerant mixture, R-407c (nominal composition: 23% R-32, 25% R-125, and 52% R-134a). R-407c is a fluid with zero ozone depletion potential and one of several alternatives to currently widely used pure refrigerant HCFC-22. As a non-azeotrope, R-407c has distinctly different characteristics from pure fluids. The phase change of a non-azeotrope under constant pressure does not proceed at a constant temperature but rather over a range of temperature. In addition, the momentum, energy transfer, and mass transfer processes are closely linked. The vapor-liquid interfacial mass transfer rate limits the evaporation or condensation rate, and in turns limits the energy transfer rate. The experiments are conducted in a test apparatus with a fluid sampling port to monitor the composition change of the mixture. The test section consists of six horizontal identical passes, constructed as double tube heat exchangers. Each pass is about 2.2 m long and are connected in order by 7.6 cm radius U-bends. The heated or cooled section of each pass is shorter than the pass length and is 1.8 meter long. The inner (mixture) tube of the test section is a nominal 3/8" inch (9.5 mm) copper tube of 0.348 mm wall thickness with 72 axial fins of 0.185 mm height on its inner surface. The apex angle of the fins is 15 deg. and the helix angle is 0. The annulus-side water, serving as heat source (evaporating mode) or heat sink (condensing mode), flows through the annular space between inner and outer tubes. The tests are conducted at 100 deg F dew point temperature and mass flux from 192,000 to 818,000 lb/hr-ft^2 for condensing, and 50 deg F dew point and mass flux from 70,000 to 394,000 lb/hr-ft^2 for evaporating. The experimental results show that, compared to R-22, two-phase flow frictional pressure gradients of R-407c are about 10% less than R-22. Due to the mass transfer resistance, its condensing coefficients are 15% to 30% lower and its evaporating coefficients are about 20% lower, relative to R-22.

  15. Variation of Azeotropic Composition and Temperature with Pressure

    ERIC Educational Resources Information Center

    Gibbard, H. Frank; Emptage, Michael R.

    1975-01-01

    Describes an undergraduate physical chemistry experiment in which an azeotropic mixture is studied using the vapor pressures of the components as functions of temperature and the azeotropic composition and temperature at one pressure. Discusses in detail the mathematical treatment of obtained thermodynamic data. (MLH)

  16. Study to determine the existence of an azeotropic R-22 `drop-in` substitute

    SciTech Connect

    Kim, M.S.; Morrison, G.; Mulroy, W.J.; Didion, D.A.

    1996-03-01

    The reduction in chlorofluorocarbon (CFC) and hydrochlorofluorocarbon (HCFC) production and the scheduled phase-out of these ozone depleting refrigerants requires the development and determination of environmentally safe refrigerants for use in heat pumps, water chillers, air conditioners, and refrigerators. Azeotropic mixtures are attractive as alternative refrigerants because they behave very nearly as pure materials. A simple correlative scheme that allows one to judge whether or not an azeotrope is likely in a binary refrigerant mixture is discussed. This paper presents laboratory and computer simulation model evaluation of two of the azeotropic refrigerant mixtures which are identified, HFC-134a (1,1,1,2-tetrafluoroethane) with R-C290 (Propane) and HFC-134a with R-600a (Isobutane), in a generic heat pump apparatus. A third azeotropes mixture, HFC-134a with R-C290 (Cyclopropane) is examined by computer simulation only.

  17. Solidification phenomena of binary organic mixtures

    NASA Technical Reports Server (NTRS)

    Chang, K.

    1982-01-01

    The coalescence rates and motion of liquid bubbles in binary organic mixtures were studied. Several factors such as temperature gradient, composition gradient, interfacial tension, and densities of the two phases play important roles in separation of phases of immiscible liquids. An attempt was made to study the effect of initial compositions on separation rates of well-dispersed organic mixtures at different temperatures and, ultimately, on the homogeneity of solidification of the immiscible binary organic liquids. These organic mixtures serve as models for metallic pseudo binary systems under study. Two specific systems were investigated: ethyl salicylate - diethyl glycol and succinonitrile - water.

  18. Supercritical separation process for complex organic mixtures

    DOEpatents

    Chum, Helena L.; Filardo, Giuseppe

    1990-01-01

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70.degree. C. and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution.

  19. Supercritical separation process for complex organic mixtures

    DOEpatents

    Chum, H.L.; Filardo, G.

    1990-10-23

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70 C and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution. 1 fig.

  20. Enzymatic synthesis of sorbitan esters using a low-boiling-point azeotrope as a reaction solvent.

    PubMed

    Sarney, D B; Barnard, M J; Virto, M; Vulfson, E N

    1997-05-20

    Sorbitan esters were prepared by controlled dehydration of sorbitol followed by lipase-catalyzed esterification of the resulting "sorbitan." The reaction was carried out in azeotropic mixtures of tert-butanol/n-hexane. A partial phase diagram to determine the temperature required for the distillation of the azeotrope at a given ratio of the solvents was constructed. The effect of varying concentrations of the two solvents on the rate of esterification and the monoester/diester ratio of the final product was investigated in detail. (c) 1997 John Wiley & Sons, Inc. Biotechnol Bioeng 54: 351-356, 1997. PMID:18634102

  1. Azeotropic distillation in a middle vessel batch column. 2: Nonlinear separation boundaries

    SciTech Connect

    Cheong, W.; Barton, P.I.

    1999-04-01

    On the basis of the analytical tools developed for the middle vessel column (MVC) operated under limiting conditions, analysis of the qualitative dynamics of the MVC in separating an azeotropic mixture is extended to the more realistic case in which the separation boundaries are nonlinear. The differences between batch stripper pot composition boundaries and batch rectifier pot composition being able to cross these pot composition boundaries. On the basis of these insights, operating procedures are developed in which ternary azeotropic mixtures of acetone, benzene, and chloroform can be separated into their constituent pure components, a separation not achievable with either the batch stripper or the batch rectifier. The operating procedures suggested for separating the ternary azeotropic mixture of acetone, benzene, and chloroform in the MVC are then shown to be the time analogues of sequences of continuous distillation columns that achieve the same separation. On the basis of this space-time analogy, further analogies are developed between the MVC and a continuous column, and it is postulated that many complex separations currently achieved with sequences of continuous columns can also be achieved with a single MVC. Thus, the MVC represents the ultimate multipurpose solvent recovery technology, as it can handle, in a batch multipurpose mode. separations that will otherwise require a dedicated continuous distillation sequence. Finally, the characteristics of perfect MVC batch entrainers, which allow the complete separation of any azeotrope into its constituent pure components in a single MVC, are discussed.

  2. RELIABLE COMPUTATION OF HOMOGENEOUS AZEOTROPES. (R824731)

    EPA Science Inventory

    Abstract

    It is important to determine the existence and composition of homogeneous azeotropes in the analysis of phase behavior and in the synthesis and design of separation systems, from both theoretical and practical standpoints. A new method for reliably locating an...

  3. PREDICTIONS OF AZEOTROPES FORMED FROM FLUORINATED ETHERS, ETHANES, AND PROPANES

    EPA Science Inventory

    The paper discusses an evaluation of the potential for azeotrope formation and performance for fluorinated ethers, ethanes, and propanes. (NOTE: The synthesis of new non-chlorinated refrigerants expands the base of alternatives for replacing ozone-depleting chlorofluorocarbons (O...

  4. EFFECTS IN HUMANS OF A VOLATILE ORGANIC COMPOUND MIXTURE: SENSORY

    EPA Science Inventory

    Time-course actions for symptoms of the sick building syndrome were derived from 66 healthy males exposed to clean air and a volatile organic (VOC) mixture in separate sessions. he mixture contained 22 VOCs (25 mg/m3 total concentration) commonly found air-borne in new or recentl...

  5. Predicting microbial toxicity of nonuniform multicomponent mixtures of organic chemicals

    SciTech Connect

    Peace, J.; Daniel, D.; Nirmalakhandan, N.; Egemen, E.

    1997-04-01

    Three schemes proposed in the literature for analyzing joint toxic effects of multicomponent mixtures on fish, namely the additivity index (AI), the mixture toxicity index (MTI), and the similarity parameter ({lambda}) are evaluated in this study for microbial toxicity. A new approach is proposed to establish acceptance limits for the similarity parameter, {lambda}, based on experimental errors and uncertainties. Quantitative structure activity relationship (QSAR) techniques are then used to develop a model to predict the concentrations of components in mixtures that would jointly cause 50% inhibition of microbial respiration. The application of this approach is demonstrated on the experimental toxicity data of six eight-component organic chemical mixtures on microorganisms.

  6. Azeotropic distillation in a middle vessel batch column. 3: Model validation

    SciTech Connect

    Cheong, W.; Barton, P.I.

    1999-04-01

    A dimensional time model of the middle vessel batch distillation column (MVC) is developed in the ABACUSS process modeling environment, and simulations are conducted to validate the theoretical insights developed for the operation of the MVC based on a warped time model of the MVC. The qualitative dynamics of the MVC operated in the presence of linear separation boundaries are validated via simulations conducted on the ternary azeotropic mixture of acetone, chloroform, and methanol. It is also shown via simulation that the separation results obtained from a column with significant but reasonable amounts of holdup on the trays are not significantly different from a column in which holdup in the trays is assumed to be negligible. Theoretical operating policies for separating the azeotrope of acetone and chloroform using benzene as a batch entrainer are also validated using the ABACUSS model. Finally, the authors explore the advantages and disadvantages of different feasible operating policies for separating a mixture of acetone, benzene, and chloroform completely into its constituent pure components.

  7. Separation of polar compounds using a flexible metal-organic framework

    SciTech Connect

    Motkuri, Radha K.; Thallapally, Praveen K.; Annapureddy, Harsha V.; Dang, Liem X.; Krishna, Rajamani; Nune, Satish K.; Fernandez, Carlos A.; Liu, Jian; McGrail, B. Peter

    2015-01-01

    A flexible metal-organic framework constructed from a flexible linker is shown to possess the capability of separating mixtures of polar compounds by exploiting the differences in the saturation capacities of the constituents. The separation possibilities with the flexible MOF include mixtures of propanol isomers, and various azeotropes. Transient breakthrough simulations show that these sorption-based separations are in favor of the component with higher saturation capacity.

  8. Separation of C{sub 1}-C{sub 4} alcohol from their alkyl acetates by extractive rectification with reference to a butanol-butyl acetate mixture

    SciTech Connect

    Bel`deeva, L.N.; Pilyuchenki, S.L.; Iordan, V.F.; Garber, Y.N.

    1992-06-10

    Isolation of alcohols from their alkyl acetates is a problem in basic organic synthesis technology. The most popular technique for separating such mixtures is rectification. However, pure products cannot be obtained by simple rectification because of the close boiling points of the components under separation and the presence of a minimum azeotrope in such systems. In general, such mixtures are separated by special rectification techniques. For the isolation of alcohols from their alkyl acetates the literature recommends extractive rectification using low-volatile agents. In some Soviet works possibilities of application of high-volatile azeotropic additives as extractive separating agents (SA) were shown for other systems. In this work, the authors studied the possible use as SA of both high-volatile [benzene (BN), dichloroethane (DCE)] and difficulty volatile [dimethylacetamide (DMA), cyclohexanol (CHN)] additives to separate butanol (B)-butyl acetate (BA) mixture. 9 refs., 1 fig., 5 tabs.

  9. Adsorbate shape selectivity: Separation of the HF/134a azeotrope over carbogenic molecular sieve

    SciTech Connect

    Hong, A.; Mariwala, R.K.; Kane, M.S.; Foley, H.C.

    1995-03-01

    Experimental evidence is provided for adsorptive shape selectivity in the separation of the azeotrope between HF and 1,1,1,2-tetrafluoroethane (134a) over pyrolyzed poly(furfuryl alcohol)-derived carbogenic molecular sieve (PPFA-CMS). The separation can be accomplished over coconut charcoal or Carbosieve G on the basis of the differences in the extent of equilibrium adsorption of HF and 134a. On these adsorbents 134a is more strongly bound than HF, thus it elutes much more slowly from the bed. The heat of adsorption for 134a in the vicinity of 200 C on Carbosieve G is {approximately}8.8 kcal/mol. In contrast, when the same azeotropic mixture is separated over PPFA-CMS prepared at 500 C, 134a is not adsorbed. As a result 134a elutes from the bed first, followed by HF. The reversal is brought about by the narrower pore size and pore size distribution of the PPFA-CMS versus that for Carbosieve G. Thus the separation over PPFA-CMS is an example of adsorbate shape selectivity and represents a limiting case of kinetic separation.

  10. Synthesis of Amorphous Monomeric Glass Mixtures for Organic Electronic Applications.

    PubMed

    Wu, You-Chi Mason; Molaire, Michel F; Weiss, David S; Angel, Felipe A; DeBlase, Catherine R; Fors, Brett P

    2015-12-18

    We report a divergent synthetic strategy and novel design concept that exploit molecular mixtures to create amorphous organic charge-transporting glasses. Using Suzuki-Miyaura cross-coupling reactions, we synthesized well-defined molecular mixtures in a single step. These solution-processable materials are noncrystalline and show good thermal and morphological stabilities. Moreover, they have robust hole and electron mobilities, which make them excellent candidate materials for organic light-emitting diodes. Our general strategy enables the facile synthesis of noncrystalline materials with well-controlled electronic properties. PMID:26560445

  11. Method for removing organic liquids from aqueous solutions and mixtures

    DOEpatents

    Hrubesh, Lawrence W.; Coronado, Paul R.; Dow, Jerome P.

    2004-03-23

    A method for removing organic liquids from aqueous solutions and mixtures. The method employs any porous material preferably in granular form and having small pores and a large specific surface area, that is hydrophobic so that liquid water does not readily wet its surface. In this method, organics, especially organic solvents that mix with and are more volatile than water, are separated from aqueous solution by preferentially evaporating across the liquid/solid boundary formed at the surfaces of the hydrophobic porous materials. Also, organic solvents that are immiscible with water, preferentially wet the surfaces of the hydrophobic material and are drawn within the porous materials by capillary action.

  12. ACUTE TOXICITY OF ORGANIC CHEMICAL MIXTURES TO THE FATHEAD MINNOW

    EPA Science Inventory

    The acute joint toxicity of industrial organic chemicals to the fathead minnow was determined for binary and equitoxic multiple chemical mixtures. Results from binary tests were used to define isobole diagrams. The degree of joint toxic action was determined among 27 chemicals fr...

  13. ATR spectra on boundary with mixture containing organic substances

    NASA Astrophysics Data System (ADS)

    Schelokov, R. V.; Yatsishen, V. V.

    2005-02-01

    The problem of not destroying diagnostics and dosing of radiation at laser therapy is one of important in medicine. Therefore the purpose of our work is development of method ATR for diagnostics and researches in biomedicine. In this work as objects of consideration were: a mixture of nicotine with water, a mixture of an ascorbic acid with water and surface lesions of an eye cornea by a herpes virus. Results of our consideration are the ATR spectra defined at different concentration of organic substances and virions.

  14. Solubility of organic solutes in ethanol-water mixtures

    SciTech Connect

    Li, A.; Yalkowsky, S.H.

    1994-12-31

    The log-linear solubilization model was applied to experimental solubility data of 109 organic compounds in ethanol/water mixtures. It is found that the extent of solubilization strongly depends on the solute hydrophobicity and the ethanol concentration in the solvent mixture. Patterns of deviation from the log-linear model are related to the structure and hydrophobicity of the solutes. Predictive equations were obtained by regression of the experimental data with solute octanol-water partition coefficient (log K{sub ow}). The logarithms of the solubilization and the solute log K{sub ow} range over eleven orders of magnitude. The solubilities of chrysene, perylene, benzo(a)pyrene, pentachlorobenzene, and hexachlorobenzene in ethanol/water mixtures were experimentally determined, and the results fit well into the model.

  15. THERMODYNAMIC EVALUATION OF PREDICTED FLUORINATED ETHER, ETHANE, AND PROPANE AZEOTROPES

    EPA Science Inventory

    The paper gives results of thermodynamic analyses, using basic thermophysical property data, to evaluate seven predicted fluorinated ether, ethane, and propane azeotropes: E125/RC270, E125/R134a, E143a/R134, R134a/E143a, E143a/ R152a, R134/R245cb, and R245cb/R227ea. he performanc...

  16. Homogeneous biocatalysis in organic solvents and water-organic mixtures.

    PubMed

    Castro, G R; Knubovets, Tatyana

    2003-01-01

    Biocatalysis in non-aqueous media has undergone tremendous development during the last decade, and numerous reactions have been introduced and optimized for synthetic applications. In contrast to aqueous enzymology, biotransformations in organic solvents offer unique industrially attractive advantages, such as: drastic changes in the enantioselectivity of the reaction, the reversal of the thermodynamic equilibrium of hydrolysis reactions, suppression of water-dependent side reactions, and resistance to bacterial contamination. Currently, the field is dominated by heterogeneous biocatalysis based primarily on lyophilized enzyme powders, cross-linked crystals, and enzymes immobilized on inert supports that are mainly applied in enantioselective synthesis. However, low reaction rates are an inherent problem of the heterogeneous biocatalysis, while the homogeneous systems have the advantage that the elimination of diffusional barriers of substrates and products between organic and water phases results in an increase in the reaction rate. Here the discussion is focused on the correlation between activity and structure of the intact enzymes dissolved in neat organic solvents, as well as modifications of natural enzymes, which make them soluble and catalytically active in non-aqueous environment. Factors that influence conformation and stability of the enzymes are also discussed. Current developments in non-aqueous biocatalysts that combine advantages of protein modification and immobilization, i.e., HIP plastics, enzyme chips, ionic liquids, are introduced. Finally, engineering enzymes for biotransformations in non-conventional media by directed evolution is summarized. PMID:14743990

  17. Ultrasonic study on organic liquid and binary organic liquid mixtures by using Schaaffs' collision factor theory

    NASA Astrophysics Data System (ADS)

    Lu, Yi-Gang; Dong, Yan-Wu

    2006-09-01

    Based on Schaaffs' collision factor theory (CFT) in liquids, the equations for nonlinear ultrasonic parameters in both organic liquid and binary organic liquid mixtures are deduced. The nonlinear ultrasonic parameters, including pressure coefficient, temperature coefficients of ultrasonic velocity, and nonlinear acoustic parameter B/A in both organic liquid and binary organic liquid mixtures, are evaluated for comparison with the measured results and data from other sources. The equations show that the coefficient of ultrasonic velocity and nonlinear acoustic parameter B/A are closely related to molecular interactions. These nonlinear ultrasonic parameters reflect some information of internal structure and outside status of the medium or mixtures. From the exponent of repulsive forces of the molecules, several thermodynamic parameters, pressure and temperature of the medium, the nonlinear ultrasonic parameters and ultrasonic nature of the medium can be evaluated. When evaluating and studying nonlinear acoustic parameter B/A of binary organic liquid mixtures, there is no need to know the nonlinear acoustic parameter B/A of the components. Obviously, the equation reveals the connection between the nonlinear ultrasonic nature and internal structure and outside status of the mixtures more directly and distinctly than traditional mixture law for B/A, e.g. Apfel's and Sehgal's laws for liquid binary mixtures.

  18. Exposure of humans to a volatile organic mixture. 2. Sensory

    SciTech Connect

    Hudnell, H.K.; Otto, D.A.; House, D.E.; Molhave, L.

    1992-01-01

    Time-course functions for symptoms of the sick building syndrome were derived from 66 healthy males exposed to clean air and a volatile organic compound (VOC) mixture in separate sessions. The mixture contained 22 VOCs (25 mg/cu m total concentration) commonly found air-borne in new or recently renovated buildings. Subjects rated the intensity of perceived irritation, odor, and other variables before and twice during 2.75 hr exposure periods. Eye and throat irritation, headache, and drowsiness increased or showed no evidence of adaptation during exposure, whereas odor intensity decreased by 30%. These results indicate that irritation intensity and other symptoms are not related in any simple fashion to odor intensity, suggesting that the symptoms may not be a psychosomatic response to detection of an aversive odor. Instead, subthreshold levels of VOCs may interact additively or hyperadditively and stimulate trigeminal nerve receptors.

  19. Adsorption of chromate/organic-acid mixtures in aquifer materials

    SciTech Connect

    Fish, W.; Palmer, C.D.

    1991-07-15

    The overall objective of this project is to develop a fuller understanding of the interactions of mixtures of anionic co-contaminants with oxide-mineral surfaces. Our specific focus is on the competitive interactions of chromate and oxalic acid on ferric oxyhydroxide and on natural aquifer materials. Chromate and oxalate are of practical interest as widespread contaminants at many DOE facilities. However, these anions also are excellent model adsorbates for elucidating fundamental aspects of ionic adsorption processes, particularly with respect to organic acids.

  20. Toxicity assessment of organic contaminants: evaluation of mixture effects in model industrial mixtures using 2n full factorial design.

    PubMed

    Parvez, Shahid; Venkataraman, Chandra; Mukherji, Suparna

    2008-10-01

    Toxic organic chemicals present in industrial effluents were screened to design mixtures for examining the significant main and interaction effects among mixture components. A set of five four-component mixtures was selected by examining effluents from organic chemical, textile-dye, pulp-paper and petroleum refinery industries. The screening was based on their discharge, solubility, toxicity and volatility. A 2(n) full factorial approach was used in designing the mixtures, containing components at two dose levels, EC(10)(-) and EC(40)(+). Each mixture resulted in 16 combinations. Mixture toxicity was measured using the Vibrio fischeri bioluminescence inhibition assay. The main effects and binary, ternary and quaternary interaction effects were determined and the significance of effects was evaluated using normal order score and multifactor ANOVA. The organic chemicals retained after screening included, acetaldehyde, aniline, n-butanol, p-cresol, catechol, ethylbenzene, naphthalene, phenol, 1,2,4 trimethylbenzene and o-xylene. In all mixtures, the magnitude of main effects was more significant than the interaction effects. The trend in the main effect of components in any mixture was affected by the trends in the physico-chemical properties of the components, i.e., partition coefficient, molecular size and polarity. In some mixtures, a component with significantly higher concentration and significantly lower toxicity was found to depict a relatively high main effect, as observed for acetaldehyde in mixture I and n-butanol in mixture III. Normal order score approach failed to identify the significant interaction effects that could be identified using multifactor ANOVA. In general, the binary interactions were more significant than the ternary and quaternary interactions. PMID:18789476

  1. Self-organized pattern formation in motor-microtubule mixtures

    NASA Astrophysics Data System (ADS)

    Sankararaman, Sumithra; Menon, Gautam I.; Sunil Kumar, P. B.

    2004-09-01

    We model the stable self-organized patterns obtained in the nonequilibrium steady states of mixtures of molecular motors and microtubules. In experiments [Nédélec , Nature (London) 389, 305 (1997); Surrey , Science 292, 1167 (2001)] performed in a quasi-two-dimensional geometry, microtubules are oriented by complexes of motor proteins. This interaction yields a variety of patterns, including arrangements of asters, vortices, and disordered configurations. We model this system via a two-dimensional vector field describing the local coarse-grained microtubule orientation and two scalar density fields associated to molecular motors. These scalar fields describe motors which either attach to and move along microtubules or diffuse freely within the solvent. Transitions between single aster, spiral, and vortex states are obtained as a consequence of confinement, as parameters in our model are varied. For systems in which the effects of confinement can be neglected, we present a map of nonequilibrium steady states, which includes arrangements of asters and vortices separately as well as aster-vortex mixtures and fully disordered states. We calculate the steady state distribution of bound and free motors in aster and vortex configurations of microtubules and compare these to our simulation results, providing qualitative arguments for the stability of different patterns in various regimes of parameter space. We study the role of crowding or “saturation” effects on the density profiles of motors in asters, discussing the role of such effects in stabilizing single asters. We also comment on the implications of our results for experiments.

  2. Control of Meloidogyne incognita Using Mixtures of Organic Acids

    PubMed Central

    Seo, Yunhee; Kim, Young Ho

    2014-01-01

    This study sought to control the root-knot nematode (RKN) Meloidogyne incognita using benign organo-chemicals. Second-stage juveniles (J2) of RKN were exposed to dilutions (1.0%, 0.5%, 0.2%, and 0.1%) of acetic acid (AA), lactic acid (LA), and their mixtures (MX). The nematode bodies were disrupted severely and moderately by vacuolations in 0.5% of MX and single organic acids, respectively, suggesting toxicity of MX may be higher than AA and LA. The mortality of J2 was 100% at all concentrations of AA and MX and only at 1.0% and 0.5% of LA, which lowered slightly at 0.2% and greatly at 0.1% of LA. This suggests the nematicidal activity of MX may be mostly derived from AA together with supplementary LA toxicity. MX was applied to chili pepper plants inoculated with about 1,000 J2, for which root-knot gall formations and plant growths were examined 4 weeks after inoculation. The root gall formation was completely inhibited by 0.5% MX and standard and double concentrations of fosthiazate; and inhibited 92.9% and 57.1% by 0.2% and 0.1% MX, respectively. Shoot height, shoot weight, and root weight were not significantly (P ≤ 0.05) different among all treatments and the untreated and non-inoculated controls. All of these results suggest that the mixture of the organic acids may have a potential to be developed as an eco-friendly nematode control agent that needs to be supported by the more nematode control experiments in fields. PMID:25506312

  3. Control of Meloidogyne incognita Using Mixtures of Organic Acids.

    PubMed

    Seo, Yunhee; Kim, Young Ho

    2014-12-01

    This study sought to control the root-knot nematode (RKN) Meloidogyne incognita using benign organo-chemicals. Second-stage juveniles (J2) of RKN were exposed to dilutions (1.0%, 0.5%, 0.2%, and 0.1%) of acetic acid (AA), lactic acid (LA), and their mixtures (MX). The nematode bodies were disrupted severely and moderately by vacuolations in 0.5% of MX and single organic acids, respectively, suggesting toxicity of MX may be higher than AA and LA. The mortality of J2 was 100% at all concentrations of AA and MX and only at 1.0% and 0.5% of LA, which lowered slightly at 0.2% and greatly at 0.1% of LA. This suggests the nematicidal activity of MX may be mostly derived from AA together with supplementary LA toxicity. MX was applied to chili pepper plants inoculated with about 1,000 J2, for which root-knot gall formations and plant growths were examined 4 weeks after inoculation. The root gall formation was completely inhibited by 0.5% MX and standard and double concentrations of fosthiazate; and inhibited 92.9% and 57.1% by 0.2% and 0.1% MX, respectively. Shoot height, shoot weight, and root weight were not significantly (P ≤ 0.05) different among all treatments and the untreated and non-inoculated controls. All of these results suggest that the mixture of the organic acids may have a potential to be developed as an eco-friendly nematode control agent that needs to be supported by the more nematode control experiments in fields. PMID:25506312

  4. Rotary drum composting of different organic waste mixtures.

    PubMed

    Kalamdhad, Ajay S; Kazmi, Absar A

    2009-03-01

    The effects of three different mixtures of organic waste on composting in a rotary drum were examined by measuring changes in physico-chemical and biological parameters. It was observed that the time courses of the three mixtures: run A (grass cuttings, vegetable waste and food waste), run B (cattle manure, vegetable waste and sawdust) and run C (cattle manure, food waste, vegetable waste, paper waste and sawdust) were quite diverse. Run B, with initial C/N ratio 22 and containing a large proportion of cattle manure produced high quality and mature compost within 20 days. It showed a final total nitrogen (2.1%), final total phosphorus 3.52 g kg(-1), final total organic carbon (TOC) (24.8%) and final moisture content (44%). At the end of 20 days, higher degradation led to final chemical oxygen demand (COD) (454 mg L(- 1)), biochemical oxygen demand (BOD) (107 mg L(- 1)), fecal coliform (1.2 x 10(2) bacteria g(- 1)), fecal streptococci (85 bacteria g(-1)) and low electrical conductivity (1.658 dS m(-1)), respectively. Furthermore, run C with initial C/N ratio of 30 and containing a larger amount of food and vegetable waste produced good quality compost and resulted in 4.34% total nitrogen and 2.42% total phosphorus after 20 days, but, it had higher final fecal coliform 2.5 x 10(4) bacteria g( -1), fecal streptococci 2.1 x 10(4) bacteria g(-1), high TOC and NH(4)-N and a BOD/COD ratio of 0.63, which rendered it hygienically unsafe and immature. Finally, run A with initial C/N ratio of 15 showed a higher amount of EC (4.84 dS m(-1)), NH(4)-N, BOD/COD ratio of 0.4 with 15% nitrogen loss, which indicated an unstable product even after 20 days of composting. Therefore, it was found that rotary drum composting of a combination of cattle manure, vegetable waste and sawdust resulted in a primary stabilized compost within 20 days of composting. PMID:19244412

  5. Application of the Firefly and Luus-Jaakola algorithms in the calculation of a double reactive azeotrope

    NASA Astrophysics Data System (ADS)

    Mendes Platt, Gustavo; Pinheiro Domingos, Roberto; Oliveira de Andrade, Matheus

    2014-01-01

    The calculation of reactive azeotropes is an important task in the preliminary design and simulation of reactive distillation columns. Classically, homogeneous nonreactive azeotropes are vapor-liquid coexistence conditions where phase compositions are equal. For homogeneous reactive azeotropes, simultaneous phase and chemical equilibria occur concomitantly with equality of compositions (in the Ung-Doherty transformed space). The modeling of reactive azeotrope calculation is represented by a nonlinear algebraic system with phase equilibrium, chemical equilibrium and azeotropy equations. This nonlinear system can exhibit more than one solution, corresponding to a double reactive azeotrope. In a previous paper (Platt et al 2013 J. Phys.: Conf. Ser. 410 012020), we investigated some numerical aspects of the calculation of reactive azeotropes in the isobutene + methanol + methyl-tert-butyl-ether (with two reactive azeotropes) system using two metaheuristics: the Luus-Jaakola adaptive random search and the Firefly algorithm. Here, we use a hybrid structure (stochastic + deterministic) in order to produce accurate results for both azeotropes. After identifying the neighborhood of the reactive azeotrope, the nonlinear algebraic system is solved using Newton's method. The results indicate that using metaheuristics and some techniques devoted to the calculation of multiple minima allows both azeotropic coordinates in this reactive system to be obtains. In this sense, we provide a comprehensive analysis of a useful framework devoted to solving nonlinear systems, particularly in phase equilibrium problems.

  6. Dynamics and control of a heterogeneous azeotropic distillation column: Conventional control approach

    SciTech Connect

    Chien, I.L.; Wang, C.J.; Wong, D.S.H.

    1999-02-01

    In this work, bifurcation analysis and dynamic simulation were used to investigate the optimum conventional control strategy of an isopropyl alcohol (IPA), cyclohexane (CyH), and water (H{sub 2}O) heterogeneous azeotropic column. Steady-state process analysis shows that the optimal operation point should be located at a critical reflux, a transition point at which the distillation path switches from a route that passes through the IPA + H{sub 2}O azeotrope to one that passes through the IPA + CyH azeotrope. A good control strategy must be able to maintain a steady column temperature profile that shows a plateau near 70 C to ensure passage around the IPA + CyH azeotrope. An inverse double-loop control strategy is proposed based on principal component analysis. This scheme is capable of maintaining the desired column temperature profile given all kinds of feed disturbances, thus keeping the product IPA purity at the desired level.

  7. Azeotropic distillation in a middle vessel batch column. 1: Model formulation and linear separation boundaries

    SciTech Connect

    Cheong, W.; Barton, P.I.

    1999-04-01

    A mathematical model for the middle vessel batch distillation column (MVC) is developed using the concept of warped time analysis and used to study the qualitative dynamics of the MVC when it is used to separate multicomponent azeotropic mixtures. A limiting analysis is then developed for a MVC with an infinite number of trays, operated under infinite reflux/reboil ratios, under the assumption of linear separation boundaries. It is determined that, under limiting conditions, the distillate product drawn from the MVC is given by the {alpha} limit set of the MVC still pot composition, while the bottoms product drawn from the MVC is given by the {omega} limit set of the MVC still pot composition. The net product composition is determined by taking a convex combination of the two products. The notions of steering the still pot composition, the vector cone of possible motion for the still pot composition, and the equivalency of the MVC to the combined operation of a batch rectifier and a stripper are also explored. The definition of batch distillation regions for the MVC operated at a given value of the middle vessel parameter {lambda}, and the bifurcation of these regions with the variation of {lambda}, are investigated. Lastly, a mathematical model incorporating the concept of warped time is developed for a multivessel column. The MVC can be viewed as a specific case of the multivessel column.

  8. Behavioural evaluation of workers exposed to mixtures of organic solvents.

    PubMed Central

    Maizlish, N A; Langolf, G D; Whitehead, L W; Fine, L J; Albers, J W; Goldberg, J; Smith, P

    1985-01-01

    Reports from Scandinavia have suggested behavioural impairment among long term workers exposed to solvents below regulatory standards. A cross sectional study of behavioural performance was conducted among printers and spray painters exposed to mixtures of organic solvents to replicate the Scandinavian studies and to examine dose-response relationships. Eligible subjects consisted of 640 hourly workers from four midwestern United States companies. Of these, 269 responded to requests to participate and 240 were selected for study based on restrictions for age, sex, education, and other potentially confounding variables. The subjects tested had been employed on average for six years. Each subject completed an occupational history, underwent a medical examination, and completed a battery of behavioural tests. These included the Fitts law psychomotor task, the Stroop colour-word test, the Sternberg short term memory scanning test, the short term memory span test, and the continuous recognition memory test. Solvent exposure for each subject was defined as an exposed or non-exposed category based on a plant industrial hygiene walk-through and the concentration of solvents based on an analysis of full shift personal air samples by gas chromatography. The first definition was used to maintain consistency with Scandinavian studies, but the second was considered to be more accurate. The average full shift solvent concentration was 302 ppm for the printing plant workers and 6-13 ppm for the workers at other plants. Isopropanol and hexane were the major components, compared with toluene in Scandinavian studies. Performance on behavioural tests was analysed using multiple linear regression with solvent concentration as an independent variable. Other relevant demographic variables were also considered for inclusion. No significant (p greater than 0.05) relation between solvent concentration and impairment on any of the 10 behavioural variables was observed after controlling for confounding variables. Exposed/non-exposed comparisons showed a significantly poorer digit span among those exposed, but this has not been generally reported in the Scandinavian studies. The medical examination showed no abnormalities of clinical significance. The inability to replicate the findings of the Scandinavian studies could have been due to the shortness of the duration of workers' exposure, the type of solvents in the mixtures, use of different behavioural tests, or to selection factors. PMID:3876109

  9. SOIL SORPTION OF VOLATILE AND SEMIVOLATILE ORGANIC COMPOUNDS IN A MIXTURE

    EPA Science Inventory

    Studies were conducted to evaluate lipophilicity as a predictor of sorption for a mixture of organic compounds with high vapor pressures commonly present at hazardous waste sites. orption partition coefficients (Kp) for the mixture of 16 volatile and semivolatile organic compound...

  10. Retention capacity of an organic bio-mixture against different mixtures of fungicides used in vineyards.

    PubMed

    Monaci, Elga; Coppola, Laura; Casucci, Cristiano; Perucci, Piero; Vischetti, Costantino

    2009-09-01

    A laboratory experiment was carried out to test the efficiency of a bio-mixture made up of pruning residues at two (PR2) and five (PR5) years of composting and wheat straw (STW) in the biological cleaning of water contaminated by different mixtures of fungicides usually employed in vineyards. The experiment was conducted and reproduced at a scale of 1:100 of operating field conditions. Commercial formulates of penconazole (PC), (RS)-1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole), dimetomorph (DM), (EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine), azoxystrobin (AZ), (methyl (E)-2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate), iprovalicarb (IP), (isopropyl 2-methyl-1-[(RS)-1-p-tolylethyl]carbamoyl-(S)-propylcarbamate), metalaxyl (MX), (methyl N-(methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate), fludioxonil (FL), (4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile) and cyprodinil (CY), (4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine) were mixed in water and discharged into the bio-mixture following the time schedule of the treatments carried out in the grapevine in real field conditions. At each treatment, contaminated water with fungicides was circulated repeatedly through the bio-mixture to enhance the sorption of fungicides. In fact, it retained them between 98-100% with the exception of MX of which it was able to retain only 90.5%. The adsorption/desorption experiment showed that repeated circulation of water, instead of enhancing MX retention, can easily remove about 30% of MX already adsorbed by the bio-mixture. This finding suggests that water contaminated by very mobile pesticides should be discharged at the end of field treatments without re-circulating the water in order to avoid the release of pesticides weakly adsorbed on the bio-mixture. PMID:20183083

  11. Biodegradation of a mixture of chlorinated volatile organic compounds

    SciTech Connect

    Barnes, L.J.W.; Daniel, S.R.; Warner, J.B.

    1997-12-31

    A mixture of vinyl chloride, cis- and trans-1,2-dichloroethene (DCE), and 1,1-dichloroethane (DCA) was biodegraded at 20 C in static microcosms by a consortium of indigenous microorganisms from a Superfund site contaminated with a variety of halogenated compounds. Microcosms were set up with sand and groundwater from the site to model biodegradation under aquifer conditions and biodegradation with various amendments in batch cultures. Under aerobic conditions, vinyl chloride and cis- and trans-1,2-DCE biodegraded slowly, although there was no change in the concentration of 1,1-DCA. The biodegradation rates for all three chlorinated ethenes were greatly increased by enriching for methanotrophs in an aerobic environment, but this had little effect on the concentration of 1,1-DCA. DCA and the dichloroethene isomers decreased. The rate at which 1,1-DCA decreased from the VOC mixture correlated directly to the concentration of the chlorinated ethenes in that mixture. This relationship may be new in the literature and has important implications for the potential success for intrinsic bioremediation of sites contaminated with mixtures of chlorinated compounds.

  12. Membrane permeation process for dehydration of organic liquid mixtures using sulfonated ion-exchange polyalkene membranes

    DOEpatents

    Cabasso, Israel; Korngold, Emmanuel

    1988-01-01

    A membrane permeation process for dehydrating a mixture of organic liquids, such as alcohols or close boiling, heat sensitive mixtures. The process comprises causing a component of the mixture to selectively sorb into one side of sulfonated ion-exchange polyalkene (e.g., polyethylene) membranes and selectively diffuse or flow therethrough, and then desorbing the component into a gas or liquid phase on the other side of the membranes.

  13. Processes of Heat Transfer in Rheologically Unstable Mixtures of Organic Origin

    NASA Astrophysics Data System (ADS)

    Tkachenko, S. I.; Pishenina, N. V.; Rumyantseva, T. Yu.

    2014-05-01

    The dependence of the coefficient of heat transfer from the heat-exchange surface to a rheologically unstable organic mixture on the thermohydrodynamic state of the mixture and its prehistory has been established. A method for multivariant investigation of the process of heat transfer in compound organic mixtures has been proposed; this method makes it possible to evaluate the character and peculiarities of change in the rheological structure of the mixture as functions of the thermohydrodynamic conditions of its treatment. The possibility of evaluating the intensity of heat transfer in a biotechnological system for production of energy carriers at the step of its designing by multivariant investigation of the heat-transfer intensity in rheologically unstable organic mixtures with account of their prehistory has been shown.

  14. SOIL SORPTION OF VOLATILE AND SEMIVOLATILE ORGANIC COMPOUNDS IN A MIXTURE

    EPA Science Inventory

    Studies were conducted to evaluate lipophilicity as a predictor sorption for a mixture of organic compounds with high vapor pressures commonly present at hazardous waste sites. Sorption partition coefficients (Kp) for the mixture of 16 volatile and semivolatile ...

  15. PROCEDURES FOR DERIVING EQUILIBRIUM PARTITIONING BENCHMARKS (ESBS) FOR THE PROTECTION OF BENTHIC ORGANISM: PAH MIXTURES

    EPA Science Inventory

    This equilibrium partitioning sediment benchmark (ESB) document describes procedures to derive concentrations of PAH mixtures in sediment which are protective of the presence of benthic organisms. The equilibrium partitioning (EqP) approach was chosen because it accounts for t...

  16. Parameters for the Pyrolysis of Organic Material - Perchlorate Mixtures

    NASA Astrophysics Data System (ADS)

    Steininger, Harald; Goesmann, Fred; Goetz, Walter

    2013-04-01

    The ESA-lead Mars rover ExoMars (launch in 2018) will carry a suit of instruments, one of the in-struments is the Mars Organic Molecule Analyzer MOMA. Organic material in the Martian soil will be either pyrolyzed at temperatures of up to 1000°C and separated by gas chromatography or volatilized with the help of an UV-laser. A mass spectrometer will be the detector for both methods. Chlorinated organics have been detected in pyroly-sis GC-MS experiments on Mars two times. The first time during the Viking mission in 1976 and a second time with the Sample Analysis on Mars (SAM) in-strument onboard the Curiosity rover in 2012. [1] [2] The presence of perchlorates found by the Phoenix mission in 2008 [3] lead to the discovery that organic molecules not only get oxidized during pyrolysis, but also chlorinated organic compounds can be pro-duced. [4] The parameters used for pyrolysis and the sample composition especially the distribution of organics and perchlorates within the sample and the concentrations of organics and perchlorate have a huge influence on the products created. It is possible to change the condi-tions of the pyrolysis by spatially separating the organ-ics from the perchlorates that the chloromethanes get the major product of the pyrolysis. This might help to understand the results of the (SAM) instrument yield-ing mono-, di- and trichloromethane and a chlorinated 4-hydrocarbon molecule. References: [1] Biemann K et al. (1977) JGR, 82, 4641-4658. [2] Grotzinger J. P et al. (2011) AGU Fall Meeting U13A-01 [3] Hecht M. H., et al. (2009) Science, 325 64-67. [4] Steininger H., Goesmann F., Goetz W. (2011) Planet. & Space Sci., 71, 9-17. Acknowledgments: This work was funded by DLR (FKZ 50QX1001)

  17. ODOR AND IRRITATION EFFECTS OF A VOLATILE ORGANIC COMPOUND MIXTURE

    EPA Science Inventory

    Human exposure to volatile organic compounds elicits a variety ofsymptoms, many of which are thought to be mediated by the olfactoryand trigeminal systems. his report describes evidence indicatingthat perceived odor intensity diminishes during prolonged exposure,whearas irritatin...

  18. Modeling and Computation of Thermodynamic Equilibrium for Mixtures of Inorganic and Organic Species

    NASA Astrophysics Data System (ADS)

    Caboussat, A.; Amundson, N. R.; He, J.; Martynenko, A. V.; Seinfeld, J. H.

    2007-05-01

    A series of modules has been developed in the atmospheric modeling community to predict the phase transition, crystallization and evaporation of inorganic aerosols. Modules for the computation of the thermodynamics of pure organic-containing aerosols have been developed more recently; however, the modeling of aerosols containing mixtures of inorganic and organic compounds has gathered less attention. We present here a model (UHAERO), that is flexible, efficient and rigorously computes the thermodynamic equilibrium of atmospheric particles containing inorganic and organic compounds. It is applied first to mixtures of inorganic electrolytes and dicarboxylic acids, and then to thermodynamic equilibria including crystallization and liquid-liquid phase separation. The model does not rely on any a priori specification of the phases present in certain atmospheric conditions. The multicomponent phase equilibrium for a closed organic aerosol system at constant temperature and pressure and for specified feeds is the solution to the equilibrium problem arising from the constrained minimization of the Gibbs free energy. For mixtures of inorganic electrolytes and dissociated organics, organic salts appear at equilibrium in the aqueous phase. In the general case, liquid-liquid phase separations happen and electrolytes dissociate in both aqueous and organic liquid phases. The Gibbs free energy is modeled by the UNIFAC model for the organic compounds, the PSC model for the inorganic constituents and a Pitzer model for interactions. The difficulty comes from the accurate estimation of interactions in the modeling of the activity coefficients. An accurate and efficient method for the computation of the minimum of energy is used to compute phase diagrams for mixtures of inorganic and organic species. Numerical results show the efficiency of the model for mixtures of inorganic electrolytes and organic acids, which make it suitable for insertion in global three-dimensional air quality models. Preliminary results for mixtures of inorganic and organic species are presented and exhibit the influence of liquid phase separation on the salt cristallyzation.

  19. Nature and prevalence of non-additive toxic effects in industrially relevant mixtures of organic chemicals.

    PubMed

    Parvez, Shahid; Venkataraman, Chandra; Mukherji, Suparna

    2009-06-01

    The concentration addition (CA) and the independent action (IA) models are widely used for predicting mixture toxicity based on its composition and individual component dose-response profiles. However, the prediction based on these models may be inaccurate due to interaction among mixture components. In this work, the nature and prevalence of non-additive effects were explored for binary, ternary and quaternary mixtures composed of hydrophobic organic compounds (HOCs). The toxicity of each individual component and mixture was determined using the Vibrio fischeri bioluminescence inhibition assay. For each combination of chemicals specified by the 2(n) factorial design, the percent deviation of the predicted toxic effect from the measured value was used to characterize mixtures as synergistic (positive deviation) and antagonistic (negative deviation). An arbitrary classification scheme was proposed based on the magnitude of deviation (d) as: additive (< or =10%, class-I) and moderately (10< d < or =30 %, class-II), highly (30< d < or =50%, class-III) and very highly (>50%, class-IV) antagonistic/synergistic. Naphthalene, n-butanol, o-xylene, catechol and p-cresol led to synergism in mixtures while 1, 2, 4-trimethylbenzene and 1, 3-dimethylnaphthalene contributed to antagonism. Most of the mixtures depicted additive or antagonistic effect. Synergism was prominent in some of the mixtures, such as, pulp and paper, textile dyes, and a mixture composed of polynuclear aromatic hydrocarbons. The organic chemical industry mixture depicted the highest abundance of antagonism and least synergism. Mixture toxicity was found to depend on partition coefficient, molecular connectivity index and relative concentration of the components. PMID:19344929

  20. Resolving detailed molecular structures in complex organic mixtures and modeling their secondary organic aerosol formation

    NASA Astrophysics Data System (ADS)

    Goodman-Rendall, Kevin A. S.; Zhuang, Yang R.; Amirav, Aviv; Chan, Arthur W. H.

    2016-03-01

    Characterization of unresolved complex mixtures (UCMs) remains an ongoing challenge towards developing detailed and accurate inputs for modeling secondary organic aerosol (SOA) formation. Traditional techniques based on gas chromatography/electron impact-mass spectrometry induce excessive fragmentation, making it difficult to speciate and quantify isomers precisely. The goal of this study is to identify individual organic isomers by gas chromatography/mass spectrometry with supersonic molecular beam (SMB-GC/MS, also known as GC/MS with Cold EI) and to incorporate speciated isomers into an SOA model that accounts for the specific structures elucidated. Two samples containing atmospherically relevant UCMs are analyzed. The relative isomer distributions exhibit remarkably consistent trends across a wide range of carbon numbers. Constitutional isomers of different alkanes are speciated and individually quantified as linear, branched - for the first time by position of branching - multiply branched, or unsaturated - by degree of ring substitution and number of rings. Relative amounts of exact molecular structures are used as input parameters in an SOA box model to study the effects of molecular structures on SOA yields and volatility evolution. Highly substituted cyclic, mono-substituted cyclic, and linear species have the highest SOA yields while branched alkanes formed the least SOA. The rate of functionalization of a representative UCM is found to be in agreement with current volatility basis set (VBS) parameterizations based on detailed knowledge of composition and known oxidation mechanisms, confirming the validity of VBS parameters currently used in air quality models.

  1. Azeotropic distillation assisted fabrication of silver nanocages and their catalytic property for reduction of 4-nitrophenol.

    PubMed

    Min, Jianzhong; Wang, Fei; Cai, Yunliang; Liang, Shuai; Zhang, Zhenwei; Jiang, Xingmao

    2015-01-14

    Monodisperse silver nanocages (AgNCs) with specific interiors were successfully synthesized by an azeotropic distillation (AD) assisted method and exhibited excellent catalytic activities for reduction of 4-nitrophenol (4-NP) into 4-aminophenol (4-AP) due to the unique hollow morphology and small thickness of the silver shell. PMID:25421649

  2. FLY ASH ORGANIC BYPRODUCT MIXTURE AS SOIL AMENDMENTS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Greenhouse studies were conducted to assess the potential of fly ash-organic waste co-disposal to enhance crop production. Two pot experiments, one using Sorghum Sudangrass (Sorghum vulgaris) and other using Collard greens (Brassica olreraceae) were conducted under greenhouse conditions. In addition...

  3. DESIGNING FIXED-BED ADSORBERS TO REMOVE MIXTURES OF ORGANICS.

    EPA Science Inventory

    A liquid-phase granular activated carbon (GAC) pilot plant and a full-scale GAC adsorber were designed, built, and operated in order to evaluate their performance for treating a groundwater contaminated with several volatile and synthetic organic chemicals. Several empty bed con...

  4. EXPOSURE OF HUMANS TO VOLATILE ORGANIC MIXTURE. III. INFLAMMATORY RESPONSE

    EPA Science Inventory

    A set of symptoms has been described during the past two decades which has been called the "sick building syndrome." hese symptoms include eye, nose, and throat irritation; headache; mental fatigue; and respiratory distress. t is likely that volatile organic compounds (VOC) prese...

  5. SOLUBILITY, SORPTION AND TRANSPORT OF HYDROPHOBIC ORGANIC CHEMICALS IN COMPLEX MIXTURES

    EPA Science Inventory

    The research summarized in this report focuses on the effects which organic cosolvents have on the sorption and mobility of organic contaminants. This work was initiated In an effort to improve our understanding of the environmental consequences associated with complex mixtur...

  6. Dependences between the boiling point of binary aqueous-organic mixtures and their composition

    NASA Astrophysics Data System (ADS)

    Preobrazhenskii, M. P.; Rudakov, O. B.

    2015-01-01

    The optimum three-parametric regression basis set that reflects the properties of permutation symmetry and takes into account the specificity of isobars of aqueous-organic mixtures is constructed. The optimum algorithm for the calculation of the regression parameters of the boiling point isobars is proposed. The parameters are calculated for a series of systems. The accuracy of the method proposed for the regression description of the dependence of the boiling point of binary aqueous-organic mixtures on the composition is determined by empirical inaccuracies and is sufficient for the most part of practical applications. Methods for increasing the accuracy of the regression description of equilibrium homogeneous systems are formulated.

  7. Standard mixtures of ambient volatile organic compounds in synthetic and whole air with stable reference values

    NASA Astrophysics Data System (ADS)

    Grenfell, R. J. P.; Milton, M. J. T.; Harling, A. M.; Vargha, G. M.; Brookes, C.; Quincey, P. G.; Woods, P. T.

    2010-07-01

    Research into the role of volatile organic compounds (VOCs) in the chemistry of the lower atmosphere has led to requirements for stable and accurate standard gas mixtures to underpin long-term monitoring of global background and polluted urban concentrations. We describe a novel method for the preparation of standard mixtures containing thirty compounds in matrices of nitrogen and whole air. The estimated uncertainty in the amount fractions of the compounds in these mixtures is typically 2% (relative) and typical stability is better than 0.2% per annum. We also report the results of a comparison exercise between eight laboratories using these mixtures, which indicate that typical uncertainties achievable by laboratories making measurements of these compounds are better than demonstrated previously.

  8. Nature of Mesoscopic Organization in Protic Ionic Liquid-Alcohol Mixtures.

    PubMed

    Schroer, Wolffram; Triolo, Alessandro; Russina, Olga

    2016-03-10

    The mesoscopic morphology of mixtures of ethylammonium nitrate, a protic ionic liquid, and n-pentanol is explored for the first time using small angle X-ray scattering as a function of concentration and temperature. Both compounds are amphiphilic and characterized by an extended hydrogen bonding network; however, though macroscopically homogeneous, their mixtures are highly heterogeneous at the mesoscopic spatial scales. Previous structural studies rationalized similar features in related mixtures proposing the existence of large aggregates or micelle- and/or microemulsion-like structures. Here we show that a detailed analysis of the present concentration and temperature resolved experimental data set supports a structural scenario where the mesoscopic heterogeneities are the due to density fluctuations that are precursors of liquid-liquid phase separation. Accordingly no existence of structurally organized aggregates (such as micellar or microemulsion aggregates) is required to account for the mesoscopic heterogeneities detected in this class of binary mixtures. PMID:26895177

  9. ACTION CONCENTRATION FOR MIXTURES OF VOLATILE ORGANIC COMPOUNDS (VOC) & METHANE & HYDROGEN

    SciTech Connect

    MARUSICH, R.M.

    2006-07-10

    Waste containers may contain volatile organic compounds (VOCs), methane, hydrogen and possibly propane. These constituents may occur individually or in mixtures. Determining if a waste container contains a flammable concentration of flammable gases and vapors (from VOCs) is important to the safety of the handling, repackaging and shipping activities. This report provides the basis for determining the flammability of mixtures of flammable gases and vapors. The concentration of a mixture that is at the lowest flammability limit for that mixture is called the action concentration. The action concentration can be determined using total VOC concentrations or actual concentration of each individual VOC. The concentrations of hydrogen and methane are included with the total VOC or individual VOC concentration to determine the action concentration. Concentrations below this point are not flammable. Waste containers with gas/vapor concentrations at or above the action concentration are considered flammable.

  10. The Impact of Organic Aerosol Mixtures on Hygroscopicity: Comparison between Measurements and UNIFAC Model

    NASA Astrophysics Data System (ADS)

    Lee, J.; Hildemann, L.

    2011-12-01

    The presence of anthropogenic organic compounds in aerosols has the potential to contribute to global climate change by altering the hygroscopic behavior of cloud condensation nuclei. Dicarboxylic acids, including malonic, glutaric, and succinic acids, are among the more frequently measured water-soluble organic compounds in atmospheric aerosols. For solutions containing single or mixed inorganic species, aerosol water uptake has been most commonly modeled using the ZSR method. This approach has also been utilized for solutions containing mixtures of inorganics and organics. For solutions containing a single organic species, the UNIFAC or a modified UNIFAC model has been used, and the features it includes also allow it potentially to be utilized for mixtures. However, there is a dearth of experimental data involving the hygroscopic behavior of organic solution mixtures. In this study, water vapor pressure was measured at 12 C over aqueous bulk solutions containing dicarboxylic acids, using both a quadrupole mass spectrometer and a Baratron pressure transducer. The water uptake of malonic and glutaric acids showed good agreement with limited previous measurements reported in the literature that used an electrodynamic balance (EDB) or bulk solution method. Our experimental measurements of water uptake for malonic and glutaric acids also agreed to within 1% of the predictions using Peng's modified UNIFAC model (Environ. Sci. Technol, 35, 4495-4501, 2001). However, water vapor pressure measurements for solutions containing 50:50 molar mixtures of malonic and glutaric acids were not consistent with predictions using Peng's modified UNIFAC model for mixtures. In the modified UNIFAC model, this mixture of malonic/glutaric acids was predicted to fall roughly midway between the hygroscopicity of the two individual organics. In our measurements, malonic acid exerted the dominant influence in determining the overall water vapor pressure, so that the water uptake of the mixed solution closely followed that of malonic acid. This led to a greater water uptake than what was predicted by the modified UNIFAC model for mixtures. For mixtures of malonic and succinic acids, we added 0.3mol of succinic acid to 1, 3, and 5 mol/l of malonic acid solution. The modified UNIFAC model predicted an additional amount of water uptake due to addition of succinic acid that was essentially the same, regardless of the concentration of malonic acid. However, for our measurements, the influence of the succinic acid on water uptake was negligible for 1 and 3mol/l of malonic acid solutions. In contrast, the 5 mol/l malonic acid solution showed a significant increase in water uptake when 0.3mol of succinic acid was added.

  11. PRENEOPLASTIC TRANSFORMATION OF RESPIRATORY EPITHELIAL CELLS BY COMPLEX ORGANIC MIXTURES IN A CLONAL ASSAY

    EPA Science Inventory

    In the study complex organic mixtures that were extracts of particulate emissions from 3 heating sources were tested for the presence of agents that induce preneoplastic transformation of rat tracheal epithelial (RTE) cells in an in vitro clonal assay. The samples were derived fr...

  12. Optical Properties of Fluorescent Mixtures: Comparing Quantum Dots to Organic Dyes

    ERIC Educational Resources Information Center

    Hutchins, Benjamin M.; Morgan, Thomas T.; Ucak-Astarlioglu, Mine G.; Wlilliams, Mary Elizabeth

    2007-01-01

    The study describes and compares the size-dependent optical properties of organic dyes with those of semiconductor nanocrystals or quantum dots (QDs). The analysis shows that mixtures of QDs contain emission colors that are sum of the individual QD components.

  13. Molecular identification of organic compounds in atmospheric complex mixtures and relationship to atmospheric chemistry and sources.

    PubMed Central

    Mazurek, Monica A

    2002-01-01

    This article describes a chemical characterization approach for complex organic compound mixtures associated with fine atmospheric particles of diameters less than 2.5 m (PM2.5). It relates molecular- and bulk-level chemical characteristics of the complex mixture to atmospheric chemistry and to emission sources. Overall, the analytical approach describes the organic complex mixtures in terms of a chemical mass balance (CMB). Here, the complex mixture is related to a bulk elemental measurement (total carbon) and is broken down systematically into functional groups and molecular compositions. The CMB and molecular-level information can be used to understand the sources of the atmospheric fine particles through conversion of chromatographic data and by incorporation into receptor-based CMB models. Once described and quantified within a mass balance framework, the chemical profiles for aerosol organic matter can be applied to existing air quality issues. Examples include understanding health effects of PM2.5 and defining and controlling key sources of anthropogenic fine particles. Overall, the organic aerosol compositional data provide chemical information needed for effective PM2.5 management. PMID:12634131

  14. MIXTURE EFFECTS IN THE CATALYTIC OXIDATION OF VOCS (VOLATILE ORGANIC COMPOUNDS) IN AIR

    EPA Science Inventory

    The report gives results of a study of the deep oxidation of organic mixtures over a heterogeneous catalyst in an attempt to explain earlier observations concerning the apparent inhibition or enhancement of destruction of some components to establish a scientific basis for the de...

  15. Effects of organic acid-surfactant mixtures on levels of bacteria and beef quality traits

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Introduction: Organic acid efficacy as an antimicrobial treatment of beef carcass surfaces may be increased through the addition of surfactants. However, the effects of antimicrobial-surfactant mixtures on beef quality traits such as flavor and color stability may make their use unacceptable. Purp...

  16. Fact or artifact: the representativeness of ESI-MS for complex natural organic mixtures.

    PubMed

    Novotny, Nicole R; Capley, Erin N; Stenson, Alexandra C

    2014-04-01

    Because mass spectrometers provide their own dispersion and resolution of analytes, electrospray ionization mass spectrometry (ESI-MS) has become a workhorse for the characterization of complex mixtures from aerosols to crude oil. Unfortunately, ESI mass spectra commonly contain multimers, adducts and fragments. For the characterization of complex mixtures of unknown initial composition, this presents a significant concern. Mixed-multimer formation could potentially lead to results that bare no resemblance to the original mixture. Conversely, ESI-MS has continually reflected subtle differences between natural organic matter mixtures that are in agreement with prediction or theory. Knowing the real limitations of the technique is therefore critical to avoiding both over-interpretation and unwarranted skepticism. Here, data were collected on four mass spectrometers under a battery of conditions. Results indicate that formation of unrepresentative ions cannot entirely be ruled out, but non-covalent multimers do not appear to make a major contribution to typical natural organic matter spectra based on collision-induced dissociation results. Multimers also appear notably reduced when a cooling gas is present in the accumulation region of the mass spectrometer. For less complex mixtures, the choice of spray solvent can make a difference, but generally spectrum cleanliness (i.e. representativeness) comes at the price of increased selectivity. PMID:24719347

  17. Lanolin-derived lipid mixtures mimic closely the lipid composition and organization of vernix caseosa lipids.

    PubMed

    Rissmann, Robert; Oudshoorn, Marion H M; Kocks, Elise; Hennink, Wim E; Ponec, Maria; Bouwstra, Joke A

    2008-10-01

    The aim of the present study was to use semi-synthetic lipid mixtures to mimic the complex lipid composition, organization and thermotropic behaviour of vernix caseosa (VC) lipids. As VC shows multiple protecting and barrier supporting properties before and after birth, it is suggested that a VC substitute could be an innovative barrier cream for barrier deficient skin. Lanolin was selected as the source of the branched chain sterol esters and wax esters--the main lipid classes of VC. Different lipid fractions were isolated from lanolin and subsequently mixed with squalene, triglycerides, cholesterol, ceramides and fatty acids to generate semi-synthetic lipid mixtures that mimic the lipid composition of VC, as established by high-performance thin-layer chromatography. Differential scanning calorimetry and Fourier transform infrared spectroscopy investigations revealed that triglycerides play an important role in the (lateral) lipid organization and thermotropic behaviour of the synthetic lipid mixtures. Excellent resemblance of VC lipids was obtained when adding unsaturated triglycerides. Moreover, these lipid mixtures showed similar long range ordering as VC. The optimal lipid mixture was evaluated on tape-stripped hairless mouse skin in vivo. The rate of barrier recovery was increased and comparable to VC lipid treatment. PMID:18655769

  18. Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures

    NASA Astrophysics Data System (ADS)

    Ganbavale, G.; Zuend, A.; Marcolli, C.; Peter, T.

    2014-06-01

    This study presents a new, improved parameterisation of the temperature dependence of activity coefficients in the AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) model applicable for aqueous as well as water-free organic solutions. For electrolyte-free organic and organic-water mixtures the AIOMFAC model uses a group-contribution approach based on UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients). This group-contribution approach explicitly accounts for interactions among organic functional groups and between organic functional groups and water. The previous AIOMFAC version uses a simple parameterisation of the temperature dependence of activity coefficients, aimed to be applicable in the temperature range from ~275 to ~400 K. With the goal to improve the description of a wide variety of organic compounds found in atmospheric aerosols, we extend the AIOMFAC parameterisation for the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon to atmospherically relevant low temperatures with the introduction of a new temperature dependence parameterisation. The improved temperature dependence parameterisation is derived from classical thermodynamic theory by describing effects from changes in molar enthalpy and heat capacity of a multicomponent system. Thermodynamic equilibrium data of aqueous organic and water-free organic mixtures from the literature are carefully assessed and complemented with new measurements to establish a comprehensive database, covering a wide temperature range (~190 to ~440 K) for many of the functional group combinations considered. Different experimental data types and their processing for the estimation of AIOMFAC model parameters are discussed. The new AIOMFAC parameterisation for the temperature dependence of activity coefficients from low to high temperatures shows an overall improvement of 25% in comparison to the previous model version. The new parameterisation of AIOMFAC agrees well with a large number of experimental datasets and enables the calculation of activity coefficients of a wide variety of different aqueous/water-free organic solutions down to the low temperatures present in the upper troposphere.

  19. Toxicity of organic chemicals and their mixtures to activated sludge microorganisms

    SciTech Connect

    Hall, E.; Sun, B.; Prakash, J.; Nirmalakhandan, N.

    1996-05-01

    Toxicity of eight- and 10-component mixtures of several organic chemicals to activated sludge (A/S) microorganisms was analyzed. The joint toxic effects of the tested chemicals were found to be simply additive. The quantitative structure-activity relationship (QSAR) technique using molecular connectivity indices was used to develop single variable models to fit single chemical toxicity data. A QSAR-based approach is proposed to predict the concentrations of components in equitoxic mixtures that would jointly cause 50% inhibition of the A/S microorganisms. The validity of this predictive approach was demonstrated by comparing the predicted concentrations against those found experimentally.

  20. Evidence for liquid-like and nonideal behavior of a mixture of organic aerosol components

    PubMed Central

    Cappa, Christopher D.; Lovejoy, Edward R.; Ravishankara, A. R.

    2008-01-01

    The condensation, evaporation, and repartitioning of semivolatile organic compounds (SVOCs) in the atmosphere depends both on the phase of condensed material and the effective condensed phase vapor pressures of the SVOCs. Although direct measurements of vapor pressures of individual SVOCs exist, there are limited measurements of how the properties of a given compound changes in mixtures of multiple components that exist in the atmosphere. Here, the evaporation behavior of mixtures of dicarboxylic acids, which are common atmospheric aerosol constituents, is investigated. These measurements demonstrate that complex mixtures of the individually solid organic compounds take on liquid-like properties. Additionally, the vapor pressures of individual components show strong, identity-dependent deviations from ideality (i.e., Raoult's Law), with the vapor pressures of the smaller, more volatile compounds decreased significantly in the mixtures. The addition of an inorganic compound (NaNO3) further influences the nonideal behavior, again in a compound-specific manner. These results suggest that nonideal behavior of particle-phase compounds influences the abundances of organic aerosol observed in the atmosphere and in the laboratory. PMID:19020087

  1. Comparison of activity coefficient models for atmospheric aerosols containing mixtures of electrolytes, organics, and water

    NASA Astrophysics Data System (ADS)

    Tong, Chinghang; Clegg, Simon L.; Seinfeld, John H.

    Atmospheric aerosols generally comprise a mixture of electrolytes, organic compounds, and water. Determining the gas-particle distribution of volatile compounds, including water, requires equilibrium or mass transfer calculations, at the heart of which are models for the activity coefficients of the particle-phase components. We evaluate here the performance of four recent activity coefficient models developed for electrolyte/organic/water mixtures typical of atmospheric aerosols. Two of the models, the CSB model [Clegg, S.L., Seinfeld, J.H., Brimblecombe, P., 2001. Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds. Journal of Aerosol Science 32, 713-738] and the aerosol diameter dependent equilibrium model (ADDEM) [Topping, D.O., McFiggans, G.B., Coe, H., 2005. A curved multi-component aerosol hygroscopicity model framework: part 2—including organic compounds. Atmospheric Chemistry and Physics 5, 1223-1242] treat ion-water and organic-water interactions but do not include ion-organic interactions; these can be referred to as "decoupled" models. The other two models, reparameterized Ming and Russell model 2005 [Raatikainen, T., Laaksonen, A., 2005. Application of several activity coefficient models to water-organic-electrolyte aerosols of atmospheric interest. Atmospheric Chemistry and Physics 5, 2475-2495] and X-UNIFAC.3 [Erdakos, G.B., Change, E.I., Pandow, J.F., Seinfeld, J.H., 2006. Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water—Part 3: Organic compounds, water, and ionic constituents by consideration of short-, mid-, and long-range effects using X-UNIFAC.3. Atmospheric Environment 40, 6437-6452], include ion-organic interactions; these are referred to as "coupled" models. We address the question—Does the inclusion of a treatment of ion-organic interactions substantially improve the performance of the coupled models over that of the decoupled models? Performance is judged by the extent to which each model is able to reproduce experimental water activity data for mixtures of organic acids (malonic, succinic, glutaric, citric, maleic, and malic acids) and inorganic electrolytes (NaCl and (NH 4) 2SO 4). It is found, based on the comparisons reported here, that the decoupled models perform as well as, and in some cases better than, the coupled models. Since such activity coefficient models are likely to continue to be developed in the future and because we consider here only a limited set of organic compounds, the current study should be viewed as an interim assessment. The scarcity of experimental data for mixtures of atmospheric relevance remains a limitation for testing activity coefficient models.

  2. Reactive uptake kinetics of NO3 on multicomponent and multiphase organic mixtures containing unsaturated and saturated organics.

    PubMed

    Xiao, S; Bertram, A K

    2011-04-14

    We investigated the reactive uptake of NO(3) (an important night-time oxidant in the atmosphere) on binary mixtures containing an unsaturated organic (methyl oleate) and saturated molecules (diethyl sebacate, dioctyl sebacate, and squalane) which we call matrix molecules. These studies were carried out to better understand the reactivity of unsaturated organics in multicomponent and multiphase atmospheric particles. For liquid binary mixtures the reactivity of methyl oleate depended on the matrix molecule. Assuming a bulk reaction, H(matrix)√(D(matrix)k(oleate)) varied by a factor of 2.7, and assuming a surface reaction H(matrix)(S)K(matrix)(S)k(oleate)(S) varied by a factor of 3.6, where H(matrix)√(D(matrix)k(oleate) and H(matrix)(S)K(matrix)(S)k(oleate)(S) are constants extracted from the data using the resistor model. For solid-liquid mixtures, the reactive uptake coefficient depended on exposure time: the uptake decreased by a factor of 10 after exposure to NO(3) for approximately 90 min. By assuming either a bulk or surface reaction, the atmospheric lifetime of methyl oleate in different matrices was estimated for moderately polluted atmospheric conditions. For all liquid mixtures, the lifetime was in the order of a few minutes (with an upper limit of 35 min). These lifetimes can be used as lower limits to the lifetimes in semi-solid mixtures. Our studies emphasize that the lifetime of unsaturated organics (similar to methyl oleate) is likely short if the particle matrix is in a liquid state. PMID:21369605

  3. Abatement of mixture of volatile organic compounds (VOCs) in a catalytic non-thermal plasma reactor.

    PubMed

    Karuppiah, J; Reddy, E Linga; Reddy, P Manoj Kumar; Ramaraju, B; Karvembu, R; Subrahmanyam, Ch

    2012-10-30

    Total oxidation of mixture of dilute volatile organic compounds was carried out in a dielectric barrier discharge reactor with various transition metal oxide catalysts integrated in-plasma. The experimental results indicated the best removal efficiencies in the presence of metal oxide catalysts, especially MnO(x), whose activity was further improved with AgO(x) deposition. It was confirmed water vapor improves the efficiency of the plasma reactor, probably due to the formation of hydroxyl species, whereas, in situ decomposition of ozone on the catalyst surface may lead to nascent oxygen. It may be concluded that non-thermal plasma approach is beneficial for the removal of mixture of volatile organic compounds than individual VOCs, probably due to the formation of reactive intermediates like aldehydes, peroxides, etc. PMID:22975253

  4. Modeling the surface tension of complex, reactive organic-inorganic mixtures

    NASA Astrophysics Data System (ADS)

    Schwier, A. N.; Viglione, G. A.; Li, Z.; McNeill, V. Faye

    2013-11-01

    Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as heterogeneous reactivity, ice nucleation, and cloud droplet formation. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2-6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two semi-empirical surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well described by a weighted Szyszkowski-Langmuir (S-L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling of aerosol systems because the Henning model (using data obtained from organic-inorganic systems) and Tuckermann approach provide similar modeling results and goodness-of-fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

  5. Modeling the surface tension of complex, reactive organic-inorganic mixtures

    NASA Astrophysics Data System (ADS)

    Schwier, A. N.; Viglione, G. A.; Li, Z.; McNeill, V. F.

    2013-01-01

    Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as cloud condensation nuclei (CCN) ability. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2-6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well-described by a weighted Szyszkowski-Langmuir (S-L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling because the Henning model (using data obtained from organic-inorganic systems) and Tuckermann approach provide similar modeling fits and goodness of fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

  6. A mixture of organisms affects cholesterol metabolism together with rat cecal flora.

    PubMed

    Fukushima, M; Doi, S; Ohashi, T; Endo, T; Saitoh, H; Nakano, M

    1999-07-01

    The effects of a mixture of organisms on cecal fermentation and cholesterol metabolism in sham-operated and cecectomized rats were investigated. Male F344 rats, allocated into four groups: cecectomized rats fed a mixture of organisms (CEMO), cecectomized rats fed rice bran (CERB), sham-operated rats fed a mixture of organisms (SHMO), and sham-operated rats fed rice bran (SHRB) for 4 weeks. The diets had 0.5% cholesterol and 0.125% sodium cholate added. There were no significant differences in the body weight gain and food intake among the groups. The cecal pH in the SHMO group was significantly lower than that in the other groups. The total cholesterol and (VLDL + IDL + LDL)-cholesterol concentrations in serum were significantly lower in the SHMO group than that in the SHRB group, and the triacylglycerol concentration in the sham-operated rats tended to decrease compared to the cecectomized rats. The fecal cholesterol excretion in the CERB group was higher than that in the other groups, and that in the SHMO group was significantly higher than in the SHRB group. The acetic acid, propionic acid, n-butyric acid, and total short-chain fatty acid concentrations in the cecum contents were significantly higher in the SHMO group than those in the other groups. Streptococcus, Bifidobacterium, and Lactobacillus in the SHMO group tended to be higher than the other groups and Bacteroidaceae in the CEMO and CERB groups were significantly higher than that in the SHMO group. The results demonstrate that the mixture of organisms was fermented with the cecal contents and that the metabolites such as short-chain fatty acid lowered the serum total cholesterol and liver cholesterol concentrations in the rats fed a cholesterol-containing diet. PMID:10478442

  7. Pervaporative removal of organics from water using hydrophobic membranes. Binary mixtures

    SciTech Connect

    Kujawski, W.

    2000-01-01

    Results of pervaporation experiments are presented for the separation of several polar and nonpolar organic solvents from their aqueous solutions. Three membranes were evaluated: a polydimethylsiloxane (PERVAP-1060) membrane, a PDMS ZSM-5 zeolite filled (PERVAP-1070) membrane, and a poly(ether-block-amide) (PEBAX-4033) membrane. The effect of feed composition on flux and selectivity was also investigated. Performance parameters of a given membrane depended both on the kind of the organic solvent and the feed composition. The PERVAP-1070 membrane exhibited the highest selectivity with a separation factor over 900 in contact with a water-butyl acetate mixture. Polar solvents like methanol were also preferentially separated from aqueous solutions, but the separation factors were close to those obtained from liquid-vapor equilibria data. Permeate fluxes of organics increased with increasing feed concentration. Synergetic effects between water and organics fluxes were also observed.

  8. Effect of organic-vapor mixtures on the service life of respirator cartridges. Part 1

    SciTech Connect

    Swearengen, P.M.; Weaver, S.C.

    1985-01-01

    We challenged pairs of MSA respirator cartridges with two compounds, isopropyl alcohol (IPA) and methyl ethyl ketone (MEK), to study the adsorption characteristics of organic vapors on cartridge performance. Each vapor was injected at three concentrations: (1) each at 10 times the respective Threshold Limit Value (TLV), (2) as a mixture at a concentration equal to the sum of the two single concentrations of item (1), and (3) each alone at a concentration equal to the total-mixture challenge concentration of item (2). The experiments were repeated at 20% and 85% relative humidities. One-percent and ten-percent breakthrough times were observed experimentally in every case, and breakthrough times of the mixture agreed with the single, high-concentration challenge. Experimental data were matched to a theoretical model derived from modified Wheeler-Robell equations and showed close correlations between adsorption-rate constants for the mixture and for the individual compounds. Based on these first experiments, we feel that an accurate mathematical model is possible, and further experiments are planned to verify this. 12 refs., 1 fig., 3 tabs.

  9. Toxicity of Cúspide 480SL® spray mixture formulation of glyphosate to aquatic organisms.

    PubMed

    Currie, Zachary; Prosser, Ryan S; Rodriguez-Gil, Jose Luis; Mahon, Kim; Poirier, Dave; Solomon, Keith R

    2015-05-01

    In 2011, an alternative formulation of glyphosate (Cúspide 480SL®) was chosen to replace Roundup-SL®, Fuete-SL®, and Gly-41® for the control of Erythroxylum coca, the source of cocaine, in Colombia. Cúspide 480SL contains the active ingredient glyphosate isopropylamine (IPA) salt, which is the same active ingredient used in previous formulations. However, Cúspide 480SL contains an alkyl polyglycoside surfactant rather than the polyethoxylated tallow amine (POEA) surfactant used in other formulations and known to be more toxic to nonprimary producing aquatic organisms than glyphosate itself. An adjuvant, Cosmo-Flux F411, and water also are added to the spray mixture before application. Aquatic ecosystems adjacent to the target coca fields might be exposed to the spray mix, placing aquatic organisms at risk. Because no toxicity data were available for spray mixture on aquatic organisms, acute toxicity tests were conducted on aquatic plants, invertebrates, and fish, by using the Cúspide 480SL spray mix as described on the label. Based on the median effective concentration (EC50) values for similar organisms, the spray mixture was less toxic to aquatic organisms than formulations previously used for the control of coca (i.e., Roundup-SL, Fuete-SL, and Gly-41). A physical effect induced by Cosmo-Flux F411 was observed in Daphnia magna, Ceriodaphnia dubia, and Hyalella azteca, causing the invertebrates to be trapped in an oily film that was present at the surface of the water. However, a hazard assessment for the Cúspide 480SL spray mix, using estimated worst-case exposure scenario concentrations and EC50 values from the toxicity tests, indicated de minimis hazard for the tested aquatic animals, with hazard quotients all <1. PMID:25655706

  10. Microbial detection of mutagenic nitro-organic compounds in filtrates of coal fly ash

    SciTech Connect

    Wei, C.; Raabe, O.G.; Rosenblatt, L.S.

    1982-01-01

    The presence of mutagenic nitro-organic compounds on coal fly ash was indicated by the greatly reduced microbial mutagenicity of the ash filtrates with nitroreductase-deficient strains of Salmonella typhimurium compared to their corresponding parental strains. Addition of the liver S-9 microsomal enzyme preparation significantly increased the mutagenic activities of the ash extracts. Extracts of fly ash mutagens were prepared with horse serum, dimethyl sulfoxide, or azeotropic benzene/methanol mixture. The data were normalized to net revertants per 10/sup 8/ Salmonella typhimurium cells per milligram of ash used. This normalization procedure is essential for interpretation of comparative results. Both four-way and three-way analyses of variance were used to simultaneously evaluate the differences between solvent extracts, fly ash mutagen, S-9 activation, and nitroreductase-deficient strains and their parental strains. Of the three extraction systems tested, benzene/methanol azeotropic mixture was generally found to have the highest extraction power, and horse serum was the lowest. The results show that overall 87.5% (+/- 1.8 SE) of the mutagenic activity of the fly ash was associated with nitro-organic compounds.

  11. Secondary organic aerosol formation from ozone reactions with single terpenoids and terpenoid mixtures

    NASA Astrophysics Data System (ADS)

    Waring, Michael S.; Wells, J. Raymond; Siegel, Jeffrey A.

    2011-08-01

    Ozone reacts with indoor-emitted terpenoids to form secondary organic aerosol (SOA). Most SOA research has focused on ozone reactions with single terpenoids or with consumer products, and this paper reports the results from an investigation of SOA formation from ozone reactions with both single terpenoids and mixtures of D-limonene, α-pinene, and α-terpineol. Transient experiments were conducted at low (25 ppb) and high (100 ppb) initial concentrations of ozone. The three terpenoids were tested singly and in combinations in a manner that controlled for their different reaction rates with ozone. The SOA formation was assessed by examining the evolution in time of the resulting number size-distributions and estimates of the mass concentrations. The results suggest that at higher ozone and terpenoid concentrations, SOA number formation follows a linear trend as a function of the initial rate of reaction. This finding was valid for both single terpenoids and mixtures. Generally speaking, higher ozone and terpenoid concentrations also led to larger geometric mean diameters and smaller geometric standard deviations of fitted lognormal distributions of the formed SOA. By assuming a density, mass concentrations were also assessed and did not follow as consistent of a trend. At low ozone concentration conditions, reactions with only D-limonene yielded the largest number concentrations of any experiment, even more than experiments with mixtures containing D-limonene and much higher overall terpenoid concentrations. This finding was not seen for high ozone concentrations. These experiments demonstrate quantifiable trends for SOA forming reactions of ozone and mixtures, and this work provides a framework for expanding these results to more complex mixtures and consumer products.

  12. Technical Note: Dissolved organic matter fluorescence - a finite mixture approach to deconvolve excitation-emission matrices

    NASA Astrophysics Data System (ADS)

    Butturini, A.; Ejarque, E.

    2013-09-01

    The analysis of the shape of excitation-emission matrices (EEMs) is a relevant tool for exploring the origin, transport and fate of dissolved organic matter (DOM) in aquatic ecosystems. Within this context, the decomposition of EEMs is acquiring a notable relevance. A simple mathematical algorithm that automatically deconvolves individual EEMs is described, creating new possibilities for the comparison of DOM fluorescence properties and EEMs that are very different from each other. A mixture model approach is adopted to decompose complex surfaces into sub-peaks. The laplacian operator and the Nelder-Mead optimisation algorithm are implemented to individuate and automatically locate potential peaks in the EEM landscape. The EEMs of a simple artificial mixture of fluorophores and DOM samples collected in a Mediterranean river are used to describe the model application and to illustrate a strategy that optimises the search for the optimal output.

  13. Energy transfer studies in binary laser dye mixtures in organically modified silicates

    NASA Astrophysics Data System (ADS)

    Al-Maliki, Firas J.

    2014-08-01

    Energy transfer of binary dye mixture (Rhodamine110, as donor, and Oxizine1and/or Nile blue as acceptors) doped in organically modified silicates (ORMOSILs) matrix has been studied. The energy transfer process from donor molecules to acceptor molecules in the final bulk samples has been observed spectrally. Some of energy transfer parameters have been determined as a function of acceptor concentration. Stern-Volmer relation of energy transfer has been proved and the dominant mechanism of the energy transfer of dye mixture doped in such matrices has been determined. The results show that the emission properties of acceptor molecules (Ox1 and Nb) can be enhanced using the dye mixing recipe in sol-gel matrices.

  14. Organic biowastes blend selection for composting industrial eggshell by-product: experimental and statistical mixture design.

    PubMed

    Soares, Micaela A R; Andrade, Sandra R; Martins, Rui C; Quina, Margarida J; Quinta-Ferreira, Rosa M

    2012-01-01

    Composting is one of the technologies recommended for pre-treating industrial eggshells (ES) before its application in soils, for calcium recycling. However, due to the high inorganic content of ES, a mixture of biodegradable materials is required to assure a successful procedure. In this study, an adequate organic blend composition containing potato peel (PP), grass clippings (GC) and wheat straw (WS) was determined by applying the simplex-centroid mixture design method to achieve a desired moisture content, carbon: nitrogen ratio and free air space for effective composting of ES. A blend of 56% PP, 37% GC and 7% WS was selected and tested in a self heating reactor, where 10% (w/w) of ES was incorporated. After 29 days of reactor operation, a dry matter reduction of 46% was achieved and thermophilic temperatures were maintained during 15 days, indicating that the blend selected by statistical approach was adequate for composting of ES. PMID:22592462

  15. Effect of some organic solvent-water mixtures composition on precipitated calcium carbonate in carbonation process

    NASA Astrophysics Data System (ADS)

    Konopacka-Łyskawa, Donata; Kościelska, Barbara; Karczewski, Jakub

    2015-05-01

    Precipitated calcium carbonate particles were obtained during carbonation of calcium hydroxide slurry with carbon dioxide. Aqueous solutions of isopropyl alcohol, n-butanol and glycerol were used as solvents. Concentration of organic additives in the reactive mixture was from 0% to 20% (vol). Precipitation process were performed in a stirred tank reactor equipped with gas distributor. Multimodal courses of particles size distribution were determined for produced CaCO3 particles. Calcium carbonate as calcite was precipitated in all experiments. The mean Sauter diameter of CaCO3 particles decreased when the concentration of all used organic additives increased. The amount of small particle fraction in the product increased with the increasing concentration of organic solvents. Similar physical properties of used liquid phase resulted in the similar characteristics of obtained particles.

  16. Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures

    NASA Astrophysics Data System (ADS)

    Ganbavale, G.; Zuend, A.; Marcolli, C.; Peter, T.

    2015-01-01

    This study presents a new, improved parameterisation of the temperature dependence of activity coefficients in the AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) model applicable for aqueous as well as water-free organic solutions. For electrolyte-free organic and organic-water mixtures the AIOMFAC model uses a group-contribution approach based on UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients). This group-contribution approach explicitly accounts for interactions among organic functional groups and between organic functional groups and water. The previous AIOMFAC version uses a simple parameterisation of the temperature dependence of activity coefficients, aimed to be applicable in the temperature range from ~ 275 to ~ 400 K. With the goal to improve the description of a wide variety of organic compounds found in atmospheric aerosols, we extend the AIOMFAC parameterisation for the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon to atmospherically relevant low temperatures. To this end we introduce a new parameterisation for the temperature dependence. The improved temperature dependence parameterisation is derived from classical thermodynamic theory by describing effects from changes in molar enthalpy and heat capacity of a multi-component system. Thermodynamic equilibrium data of aqueous organic and water-free organic mixtures from the literature are carefully assessed and complemented with new measurements to establish a comprehensive database, covering a wide temperature range (~ 190 to ~ 440 K) for many of the functional group combinations considered. Different experimental data types and their processing for the estimation of AIOMFAC model parameters are discussed. The new AIOMFAC parameterisation for the temperature dependence of activity coefficients from low to high temperatures shows an overall improvement of 28% in comparison to the previous model version, when both versions are compared to our database of experimentally determined activity coefficients and related thermodynamic data. When comparing the previous and new AIOMFAC model parameterisations to the subsets of experimental data with all temperatures below 274 K or all temperatures above 322 K (i.e. outside a 25 K margin of the reference temperature of 298 K), applying the new parameterisation leads to 37% improvement in each of the two temperature ranges considered. The new parameterisation of AIOMFAC agrees well with a large number of experimental data sets. Larger model-measurement discrepancies were found particularly for some of the systems containing multi-functional organic compounds. The affected systems were typically also poorly represented at room temperature and further improvements will be necessary to achieve better performance of AIOMFAC in these cases (assuming the experimental data are reliable). The performance of the AIOMFAC parameterisation is typically better for systems containing relatively small organic compounds and larger deviations may occur in mixtures where molecules of high structural complexity such as highly oxygenated compounds or molecules of high molecular mass (e.g. oligomers) prevail. Nevertheless, the new parameterisation enables the calculation of activity coefficients for a wide variety of different aqueous/water-free organic solutions down to the low temperatures present in the upper troposphere.

  17. Hygroscopic behavior of multicomponent organic aerosols and their internal mixtures with ammonium sulfate

    NASA Astrophysics Data System (ADS)

    Jing, Bo; Tong, Shengrui; Liu, Qifan; Li, Kun; Wang, Weigang; Zhang, Yunhong; Ge, Maofa

    2016-03-01

    Water-soluble organic compounds (WSOCs) are important components of organics in the atmospheric fine particulate matter. Although WSOCs play an important role in the hygroscopicity of aerosols, knowledge on the water uptake behavior of internally mixed WSOC aerosols remains limited. Here, the hygroscopic properties of single components such as levoglucosan, oxalic acid, malonic acid, succinic acid, phthalic acid, and multicomponent WSOC aerosols mainly involving oxalic acid are investigated with the hygroscopicity tandem differential mobility analyzer (HTDMA). The coexisting hygroscopic species including levoglucosan, malonic acid, and phthalic acid have a strong influence on the hygroscopic growth and phase behavior of oxalic acid, even suppressing its crystallization completely during the drying process. The phase behaviors of oxalic acid/levoglucosan mixed particles are confirmed by infrared spectra. The discrepancies between measured growth factors and predictions from Extended Aerosol Inorganics Model (E-AIM) with the Universal Quasi-Chemical Functional Group Activity Coefficient (UNIFAC) method and Zdanovskii-Stokes-Robinson (ZSR) approach increase at medium and high relative humidity (RH) assuming oxalic acid in a crystalline solid state. For the internal mixture of oxalic acid with levoglucosan or succinic acid, there is enhanced water uptake at high RH compared to the model predictions based on reasonable oxalic acid phase assumption. Organic mixture has more complex effects on the hygroscopicity of ammonium sulfate than single species. Although hygroscopic species such as levoglucosan account for a small fraction in the multicomponent aerosols, they may still strongly influence the hygroscopic behavior of ammonium sulfate by changing the phase state of oxalic acid which plays the role of "intermediate" species. Considering the abundance of oxalic acid in the atmospheric aerosols, its mixtures with hygroscopic species may significantly promote water uptake under high RH conditions and thus affect the cloud condensation nuclei (CCN) activity, optical properties, and chemical reactivity of atmospheric particles.

  18. Hygroscopic behavior of multicomponent organic aerosols and their internal mixtures with ammonium sulfate

    NASA Astrophysics Data System (ADS)

    Jing, B.; Tong, S. R.; Liu, Q. F.; Li, K.; Wang, W. G.; Zhang, Y. H.; Ge, M. F.

    2015-08-01

    Water soluble organic compounds (WSOCs) are important components of organics in the atmospheric fine particulate matter. Although WSOCs play an important role in the hygroscopicity of aerosols, water uptake behavior of internally mixed WSOC aerosols remains limited characterization. Here, the hygroscopic properties of single component such as levoglucosan, oxalic acid, malonic acid, succinic acid and phthalic acid and multicomponent WSOC aerosols mainly involving oxalic acid are investigated with the hygroscopicity tandem differential mobility analyzer (HTDMA). The coexisting hygroscopic species including levoglucosan, malonic acid and phthalic acid have strong influence on the hygroscopic growth and phase behavior of oxalic acid, even suppress its crystallization completely. The interactions between oxalic acid and levoglucosan are confirmed by infrared spectra. The discrepancies between measured growth factors and predictions from Extended Aerosol Inorganics Model (E-AIM) with UNIFAC method and Zdanovskii-Stokes-Robinson (ZSR) approach increase at medium and high relative humidity (RH) assuming oxalic acid in a solid state. For the internal mixture of oxalic acid with levoglucosan or succinic acid, there is enhanced water uptake at high RH due to positive chemical interactions between solutes. Organic mixture has more complex effect on the hygroscopicity of ammonium sulfate than single species. Although hygroscopic species such as levoglucosan accounts for a small fraction in the multicomponent aerosols, they may still strongly influence the hygroscopic behavior of ammonium sulfate by changing phase state of oxalic acid which plays the role of "intermediate" species. Considering the abundance of oxalic acid in the atmospheric aerosols, its mixtures with hygroscopic species may significantly promote water uptake under high RH conditions and thus affect the cloud condensation nuclei (CCN) activity, optical properties and chemical reactivity of atmospheric particles.

  19. PROCEDURES FOR THE DERIVATION OF EQUILIBRIUM PARTITIONING SEDIMENT BENCHMARKS (ESBS) FOR THE PROTECTION OF BENTHIC ORGANISMS: PAH MIXTURES

    EPA Science Inventory

    This equilibrium partitioning sediment benchmark (ESB) document describes procedures to derive concentrations of PAH mixtures in sediment which are protective of the presence of benthic organisms. The equilibrium partitioning (EqP) approach was chosen because it accounts for the ...

  20. Analysis of organic solvents and liquid mixtures using a fiber-tip evaporation sensor

    NASA Astrophysics Data System (ADS)

    Preter, Eyal; Donlagic, Denis; Artel, Vlada; Katims, Rachel A.; Sukenik, Chaim N.; Zadok, Avi

    2014-05-01

    The instantaneous size and rate of evaporation of pendant liquid droplets placed on the cleaved facet of a standard fiber are reconstructed based on reflected optical power. Using the evaporation dynamics, the relative contents of ethanol in ethanol-water binary mixtures are assessed with 1% precision and different blends of methanol in gasoline are properly recognized. The latter application, in particular, is significant for the use of alternative fuels in the automotive sector. Also, ten organic solvents are identified based on their evaporation from a fiber facet coated with a hydrophobic, selfassembled monolayer.

  1. Enabling the identification, quantification, and characterization of organics in complex mixtures to understand atmospheric aerosols

    NASA Astrophysics Data System (ADS)

    Isaacman, Gabriel Avram

    Particles in the atmosphere are known to have negative health effects and important but highly uncertain impacts on global and regional climate. A majority of this particulate matter is formed through atmospheric oxidation of naturally and anthropogenically emitted gases to yield highly oxygenated secondary organic aerosol (SOA), an amalgamation of thousands of individual chemical compounds. However, comprehensive analysis of SOA composition has been stymied by its complexity and lack of available measurement techniques. In this work, novel instrumentation, analysis methods, and conceptual frameworks are introduced for chemically characterizing atmospherically relevant mixtures and ambient aerosols, providing a fundamentally new level of detailed knowledge on their structures, chemical properties, and identification of their components. This chemical information is used to gain insights into the formation, transformation and oxidation of organic aerosols. Biogenic and anthropogenic mixtures are observed in this work to yield incredible complexity upon oxidation, producing over 100 separable compounds from a single precursor. As a first step toward unraveling this complexity, a method was developed for measuring the polarity and volatility of individual compounds in a complex mixture using two-dimensional gas chromatography, which is demonstrated in Chapter 2 for describing the oxidation of SOA formed from a biogenic compound (longifolene: C15H24). Several major products and tens of substantial minor products were produced, but none could be identified by traditional methods or have ever been isolated and studied in the laboratory. A major realization of this work was that soft ionization mass spectrometry could be used to identify the molecular mass and formula of these unidentified compounds, a major step toward a comprehensive description of complex mixtures. This was achieved by coupling gas chromatography to high resolution time-of-flight mass spectrometry with vacuum ultraviolet (VUV) photo-ionization. Chapters 3 and 4 describe this new analytical technique and its initial application to determine the structures of unknown compounds and formerly unresolvable mixtures, including a complete description of the chemical composition of two common petroleum products related to anthropogenic emissions: diesel fuel and motor oil. The distribution of hydrocarbon isomers in these mixtures - found to be mostly of branched, cyclic, and saturated -- is described with unprecedented detail. Instead of measuring average bulk aerosol properties, the methods developed and applied in this work directly measure the polarity, volatility, and structure of individual components to allow a mechanistic understanding of oxidation processes. Novel characterizations of these complex mixtures are used to elucidate the role of structure and functionality in particle-phase oxidation, including in Chapter 4 the first measurements of relative reaction rates in a complex hydrocarbon particle. Molecular structure is observed to influence particle-phase oxidation in unexpected and important ways, with cyclization decreasing reaction rates by ~30% and branching increasing reaction rates by ~20-50%. The observed structural dependence is proposed to result in compositional changes in anthropogenic organic aerosol downwind of urban areas, which has been confirmed in subsequent work by applying the techniques described here. Measurement of organic aerosol components is extended to ambient environments through the development of instrumentation with the unprecedented capability to measure hourly concentrations and gas/particle partitioning of individual highly oxygenated organic compounds in the atmosphere. Chapters 5 and 6 describe development of new procedures and hardware for the calibration and analysis of oxygenates using the Semi-Volatile Thermal desorption Aerosol Gas chromatograph (SV-TAG), a custom instrument for in situ quantification of gas- and particle-phase organic compounds in the atmosphere. High time resolution measurement of oxygenated compounds is achieved through a reproducible and quantitative methodology for in situ "derivatization" -- replacing highly polar functional groups that cannot be analyzed by traditional gas chromatography with less polar groups. Implementation of a two-channel sampling system for the simultaneous collection of particle-phase and total gas-plus-particle phase samples allows for the first direct measurements of gas/particle partitioning in the atmosphere, significantly advancing the study of atmospheric composition and variability, as well as the processes governing condensation and re-volatilization. This work presents the first in situ measurements of a large suite of highly oxygenated biogenic oxidation products in both the gas- and particle-phase. Isoprene, the most ubiquitous biogenic emission, oxidizes to form 2-methyltetrols and C5 alkene triols, while α-pinene, the most common monoterpene, forms pinic, pinonic, hydroxyglutaric, and other acids. These compounds are reported in Chapter 7 with unprecedented time resolution and are shown for the first time to have a large gas-phase component, contrary to typical assumptions. Hourly comparisons of these products with anthropogenic aerosol components elucidate the interaction of human and natural emissions at two rural sites: the southeastern, U.S. and Amazonia, Brazil. Anthropogenic influence on SOA formation is proposed to occur through the increase in liquid water caused by anthropogenic sulfate. Furthermore, these unparalleled observations of gas/particle partitioning of biogenic oxidation products demonstrate that partitioning of oxygenates is unexpectedly independent of volatility: many volatile, highly oxygenated compounds have a large particle-phase component that is poorly described by traditional models. These novel conclusions are reached in part by applying the new frameworks developed in previous chapters to understand the properties of unidentified compounds, demonstrating the importance of detailed characterization of atmospheric organic mixtures. Comprehensive analysis of anthropogenic and biogenic emissions and oxidation product mixtures is coupled in this work with high time-resolution measurement of individual organic components to yield significant insights into the transformations of organic aerosols. Oxidation chemistry is observed in both laboratory and field settings to depend on molecular properties, volatility, and atmospheric composition. However, this work demonstrates that these complex processes can be understood through the quantification of individual known and unidentified compounds, combined with their classification into descriptive frameworks.

  2. Simultaneous Detection of Genetically Modified Organisms in a Mixture by Multiplex PCR-Chip Capillary Electrophoresis.

    PubMed

    Patwardhan, Supriya; Dasari, Srikanth; Bhagavatula, Krishna; Mueller, Steffen; Deepak, Saligrama Adavigowda; Ghosh, Sudip; Basak, Sanjay

    2015-01-01

    An efficient PCR-based method to trace genetically modified food and feed products is in demand due to regulatory requirements and contaminant issues in India. However, post-PCR detection with conventional methods has limited sensitivity in amplicon separation that is crucial in multiplexing. The study aimed to develop a sensitive post-PCR detection method by using PCR-chip capillary electrophoresis (PCR-CCE) to detect and identify specific genetically modified organisms in their genomic DNA mixture by targeting event-specific nucleotide sequences. Using the PCR-CCE approach, novel multiplex methods were developed to detect MON531 cotton, EH 92-527-1 potato, Bt176 maize, GT73 canola, or GA21 maize simultaneously when their genomic DNAs in mixtures were amplified using their primer mixture. The repeatability RSD (RSDr) of the peak migration time was 0.06 and 3.88% for the MON531 and Bt176, respectively. The RSD (RSDR) of the Cry1Ac peak ranged from 0.12 to 0.40% in multiplex methods. The method was sensitive in resolving amplicon of size difference up to 4 bp. The PCR-CCE method is suitable to detect multiple genetically modified events in a composite DNA sample by tagging their event specific sequences. PMID:26525256

  3. Thermodynamics of adsorption of binary aqueous organic liquid mixtures on a RPLC adsorbent.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2007-06-29

    The surface excess adsorption isotherms of organic solvents commonly used in RPLC with water as co-eluent or organic modifiers (methanol, ethanol, 2-propanol, acetonitrile and tetrahydrofuran) were measured on a porous silica surface derivatized with chlorotrimethylsilane (C1-silica with 3.92 micromol C1 groups per m2 of SiO2), using the dynamic minor disturbance method. The 5 microm diameter particles were packed in a 150 mm x 4.6 mm column. The isotherm data were derived from signals resulting from small perturbations of the equilibrium between the aqueous-organic solutions and the adsorbent surface. The partial molar surface area of the adsorbed components were assumed to be the same as those of the pure components. The difference sigma-sigmai* between the surface tensions of the adsorbed mixtures and that of the pure liquids was measured as a function of the organic modifier molar fraction. A simple and unique convention for the position of the Gibbs dividing surface was proposed to delimit the Gibbs's adsorbed phase and the bulk liquid phase. The activity coefficients of the organic modifiers and of water and their thermodynamic equilibrium constants between the two phases were measured. The strong non-ideal behavior of the adsorbed phase is mostly accounted for by the surface heterogeneity. Some regions of the surface (bonded -Si(CH3)3 moieties) preferentially adsorb the organic compound while the regions close to unreacted silanols preferentially adsorb water. PMID:17466999

  4. Effects of immunological and hematological parameter in mice exposed to mixture of volatile organic compounds.

    PubMed

    Wang, Fan; Liu, Fei; Liu, Haifang; Chen, Wanguang; Si, Xianli; Ma, Xiuying

    2016-03-01

    Exposure to some kinds of volatile organic compounds (VOCs) leads to immune system disorders, liver and kidney damage, hematological change. However, there is little information about the effect of VOCs mixture on immune system and hematological parameter. In this study, 50 Kunming male mice were exposed in five similar chambers, 0 (control) and four different doses of VOCs mixture (G1-4) for consecutively 10 days at 2 h/day. The concentrations of VOCs mixture were as follows: formaldehyde, benzene, toluene and xylene 1.0 + 1.1 + 2.0 + 2.0, 3.0 + 3.3 + 6.0 + 6.0, 5.0 + 5.5 + 10.0 + 10.0 and 10.0 + 11.0 + 20.0 + 20.0 mg/m(3), respectively, which corresponded to 10, 30, 50 and 100 times of indoor air quality standard in china. One day following VOCs exposure, spleen T lymphocyte subpopulation, serum biochemical markers and peripheral blood cells in mice were analyzed, respectively. VOCs exposure decreased significantly erythrocyte count (RBC), platelet (PLT) in peripheral blood in mice. While aspartate aminotransaminase (AST), alanine aminotransaminase (ALT), alkaline phosphatase (ALP) and creatinine (CREA) in serum increased significantly in G4 mice versus controls. Flow cytometry analysis showed that the number of splenic lymphocyte subpopulation cells decreased significantly in G2, 3 and 4 mice in comparison with normal Kunming mice. These results indicate inhalation of VOCs mixture affects CD4/8 subpopulations, liver, kidney function and some hematological parameters in mice. PMID:26986951

  5. Organic tank safety project: Preliminary results of energetics and thermal behavior studies of model organic nitrate and/or nitrite mixtures and a simulated organic waste

    SciTech Connect

    Scheele, R.D.; Sell, R.L.; Sobolik, J.L.; Burger, L.L.

    1995-08-01

    As a result of years of production and recovery of nuclear defense materials and subsequent waste management at the Hanford Site, organic-bearing radioactive high-level wastes (HLW) are currently stored in large (up to 3. ML) single-shell storage tanks (SSTs). Because these wastes contain both fuels (organics) and the oxidants nitrate and nitrite, rapid energetic reactions at certain conditions could occur. In support of Westinghouse Hanford Company`s (WHC) efforts to ensure continued safe storage of these organic- and oxidant-bearing wastes and to define the conditions necessary for reactions to occur, we measured the thermal sensitivities and thermochemical and thermokinetic properties of mixtures of selected organics and sodium nitrate and/or nitrite and a simulated Hanford organic-bearing waste using thermoanalytical technologies. These thermoanalytical technologies are used by chemical reactivity hazards evaluation organizations within the chemical industry to assess chemical reaction hazards.

  6. Personal Exposure to Mixtures of Volatile Organic Compounds: Modeling and Further Analysis of the RIOPA Data

    PubMed Central

    Batterman, Stuart; Su, Feng-Chiao; Li, Shi; Mukherjee, Bhramar; Jia, Chunrong

    2015-01-01

    INTRODUCTION Emission sources of volatile organic compounds (VOCs) are numerous and widespread in both indoor and outdoor environments. Concentrations of VOCs indoors typically exceed outdoor levels, and most people spend nearly 90% of their time indoors. Thus, indoor sources generally contribute the majority of VOC exposures for most people. VOC exposure has been associated with a wide range of acute and chronic health effects; for example, asthma, respiratory diseases, liver and kidney dysfunction, neurologic impairment, and cancer. Although exposures to most VOCs for most persons fall below health-based guidelines, and long-term trends show decreases in ambient emissions and concentrations, a subset of individuals experience much higher exposures that exceed guidelines. Thus, exposure to VOCs remains an important environmental health concern. The present understanding of VOC exposures is incomplete. With the exception of a few compounds, concentration and especially exposure data are limited; and like other environmental data, VOC exposure data can show multiple modes, low and high extreme values, and sometimes a large portion of data below method detection limits (MDLs). Field data also show considerable spatial or interpersonal variability, and although evidence is limited, temporal variability seems high. These characteristics can complicate modeling and other analyses aimed at risk assessment, policy actions, and exposure management. In addition to these analytic and statistical issues, exposure typically occurs as a mixture, and mixture components may interact or jointly contribute to adverse effects. However most pollutant regulations, guidelines, and studies remain focused on single compounds, and thus may underestimate cumulative exposures and risks arising from coexposures. In addition, the composition of VOC mixtures has not been thoroughly investigated, and mixture components show varying and complex dependencies. Finally, although many factors are known to affect VOC exposures, many personal, environmental, and socioeconomic determinants remain to be identified, and the significance and applicability of the determinants reported in the literature are uncertain. To help answer these unresolved questions and overcome limitations of previous analyses, this project used several novel and powerful statistical modeling and analysis techniques and two large data sets. The overall objectives of this project were (1) to identify and characterize exposure distributions (including extreme values), (2) evaluate mixtures (including dependencies), and (3) identify determinants of VOC exposure. METHODS VOC data were drawn from two large data sets: the Relationships of Indoor, Outdoor, and Personal Air (RIOPA) study (1999–2001) and the National Health and Nutrition Examination Survey (NHANES; 1999–2000). The RIOPA study used a convenience sample to collect outdoor, indoor, and personal exposure measurements in three cities (Elizabeth, NJ; Houston, TX; Los Angeles, CA). In each city, approximately 100 households with adults and children who did not smoke were sampled twice for 18 VOCs. In addition, information about 500 variables associated with exposure was collected. The NHANES used a nationally representative sample and included personal VOC measurements for 851 participants. NHANES sampled 10 VOCs in common with RIOPA. Both studies used similar sampling methods and study periods. Specific Aim 1 To estimate and model extreme value exposures, extreme value distribution models were fitted to the top 10% and 5% of VOC exposures. Health risks were estimated for individual VOCs and for three VOC mixtures. Simulated extreme value data sets, generated for each VOC and for fitted extreme value and lognormal distributions, were compared with measured concentrations (RIOPA observations) to evaluate each model’s goodness of fit. Mixture distributions were fitted with the conventional finite mixture of normal distributions and the semi-parametric Dirichlet process mixture (DPM) of normal distributions for three individual VOCs (chloroform, 1,4-DCB, and styrene). Goodness of fit for these full distribution models was also evaluated using simulated data. Specific Aim 2 Mixtures in the RIOPA VOC data set were identified using positive matrix factorization (PMF) and by toxicologic mode of action. Dependency structures of a mixture’s components were examined using mixture fractions and were modeled using copulas, which address correlations of multiple components across their entire distributions. Five candidate copulas (Gaussian, t, Gumbel, Clayton, and Frank) were evaluated, and the performance of fitted models was evaluated using simulation and mixture fractions. Cumulative cancer risks were calculated for mixtures, and results from copulas and multivariate lognormal models were compared with risks based on RIOPA observations. Specific Aim 3 Exposure determinants were identified using stepwise regressions and linear mixed-effects models (LMMs). RESULTS Specific Aim 1 Extreme value exposures in RIOPA typically were best fitted by three-parameter generalized extreme value (GEV) distributions, and sometimes by the two-parameter Gumbel distribution. In contrast, lognormal distributions significantly underestimated both the level and likelihood of extreme values. Among the VOCs measured in RIOPA, 1,4-dichlorobenzene (1,4-DCB) was associated with the greatest cancer risks; for example, for the highest 10% of measurements of 1,4-DCB, all individuals had risk levels above 10−4, and 13% of all participants had risk levels above 10−2. Of the full-distribution models, the finite mixture of normal distributions with two to four clusters and the DPM of normal distributions had superior performance in comparison with the lognormal models. DPM distributions provided slightly better fit than the finite mixture distributions; the advantages of the DPM model were avoiding certain convergence issues associated with the finite mixture distributions, adaptively selecting the number of needed clusters, and providing uncertainty estimates. Although the results apply to the RIOPA data set, GEV distributions and mixture models appear more broadly applicable. These models can be used to simulate VOC distributions, which are neither normally nor lognormally distributed, and they accurately represent the highest exposures, which may have the greatest health significance. Specific Aim 2 Four VOC mixtures were identified and apportioned by PMF; they represented gasoline vapor, vehicle exhaust, chlorinated solvents and disinfection byproducts, and cleaning products and odorants. The last mixture (cleaning products and odorants) accounted for the largest fraction of an individual’s total exposure (average of 42% across RIOPA participants). Often, a single compound dominated a mixture but the mixture fractions were heterogeneous; that is, the fractions of the compounds changed with the concentration of the mixture. Three VOC mixtures were identified by toxicologic mode of action and represented VOCs associated with hematopoietic, liver, and renal tumors. Estimated lifetime cumulative cancer risks exceeded 10−3 for about 10% of RIOPA participants. The dependency structures of the VOC mixtures in the RIOPA data set fitted Gumbel (two mixtures) and t copulas (four mixtures). These copula types emphasize dependencies found in the upper and lower tails of a distribution. The copulas reproduced both risk predictions and exposure fractions with a high degree of accuracy and performed better than multivariate lognormal distributions. Specific Aim 3 In an analysis focused on the home environment and the outdoor (close to home) environment, home VOC concentrations dominated personal exposures (66% to 78% of the total exposure, depending on VOC); this was largely the result of the amount of time participants spent at home and the fact that indoor concentrations were much higher than outdoor concentrations for most VOCs. In a different analysis focused on the sources inside the home and outside (but close to the home), it was assumed that 100% of VOCs from outside sources would penetrate the home. Outdoor VOC sources accounted for 5% (d-limonene) to 81% (carbon tetrachloride [CTC]) of the total exposure. Personal exposure and indoor measurements had similar determinants depending on the VOC. Gasoline-related VOCs (e.g., benzene and methyl tert-butyl ether [MTBE]) were associated with city, residences with attached garages, pumping gas, wind speed, and home air exchange rate (AER). Odorant and cleaning-related VOCs (e.g., 1,4-DCB and chloroform) also were associated with city, and a residence’s AER, size, and family members showering. Dry-cleaning and industry-related VOCs (e.g., tetrachloroethylene [or perchloroethylene, PERC] and trichloroethylene [TCE]) were associated with city, type of water supply to the home, and visits to the dry cleaner. These and other relationships were significant, they explained from 10% to 40% of the variance in the measurements, and are consistent with known emission sources and those reported in the literature. Outdoor concentrations of VOCs had only two determinants in common: city and wind speed. Overall, personal exposure was dominated by the home setting, although a large fraction of indoor VOC concentrations were due to outdoor sources. City of residence, personal activities, household characteristics, and meteorology were significant determinants. Concentrations in RIOPA were considerably lower than levels in the nationally representative NHANES for all VOCs except MTBE and 1,4-DCB. Differences between RIOPA and NHANES results can be explained by contrasts between the sampling designs and staging in the two studies, and by differences in the demographics, smoking, employment, occupations, and home locations. A portion of these differences are due to the nature of the convenience (RIOPA) and representative (NHANES) sampling strategies used in the two studies. CONCLUSIONS Accurate models for exposure data, which can feature extreme values, multiple modes, data below the MDL, heterogeneous interpollutant dependency structures, and other complex characteristics, are needed to estimate exposures and risks and to develop control and management guidelines and policies. Conventional and novel statistical methods were applied to data drawn from two large studies to understand the nature and significance of VOC exposures. Both extreme value distributions and mixture models were found to provide excellent fit to single VOC compounds (univariate distributions), and copulas may be the method of choice for VOC mixtures (multivariate distributions), especially for the highest exposures, which fit parametric models poorly and which may represent the greatest health risk. The identification of exposure determinants, including the influence of both certain activities (e.g., pumping gas) and environments (e.g., residences), provides information that can be used to manage and reduce exposures. The results obtained using the RIOPA data set add to our understanding of VOC exposures and further investigations using a more representative population and a wider suite of VOCs are suggested to extend and generalize results. PMID:25145040

  7. Spectroscopic characterization of organic matter of a soil and vinasse mixture during aerobic or anaerobic incubation

    SciTech Connect

    Doelsch, Emmanuel Masion, Armand; Cazevieille, Patrick

    2009-06-15

    Mineralization potentials are often used to classify organic wastes. These methods involve measuring CO{sub 2} production during batch experiments, so variations in chemical compounds are not addressed. Moreover, the physicochemical conditions are not monitored during the reactions. The present study was designed to address these deficiencies. Incubations of a mixture of soil and waste (vinasse at 20% dry matter from a fermentation industry) were conducted in aerobic and anaerobic conditions, and liquid samples obtained by centrifugation were collected at 2 h, 1 d and 28 d. Dissolved organic carbon (DOC) patterns highlighted that: there was a 'soil effect' which increased organic matter (OM) degradation in all conditions compared to vinasse incubated alone; and OM degradation was faster under aerobic conditions since 500 mg kg{sup -1} of C remained after aerobic incubation, as compared to 4000 mg kg{sup -1} at the end of the anaerobic incubation period. No changes were detected by Fourier transform infrared spectroscopy (FTIR) between 2 h and 1 d incubation. At 28 days incubation, the FTIR signal of the aerobic samples was deeply modified, thus confirming the high OM degradation. Under anaerobic conditions, the main polysaccharide contributions ({nu}(C-O)) disappeared at 1000 and 1200 cm{sup -1}, as also confirmed by the {sup 13}C NMR findings. Under aerobic incubation, a 50% decrease in the polysaccharide proportion was observed. Under anaerobic conditions, significant chemical modifications of the organic fraction were detected, namely formation of low molecular weight organic acids.

  8. Evaluation of the nephrotoxicity of complex mixtures containing organics and metals: advantages and disadvantages of the use of real-world complex mixtures.

    PubMed Central

    Simmons, J E; Yang, R S; Berman, E

    1995-01-01

    As part of a multidisciplinary health effects study, the nephrotoxicity of complex industrial waste mixtures was assessed. Adult, male Fischer 344 rats were gavaged with samples of complex industrial waste and nephrotoxicity evaluated 24 hr later. Of the 10 tested samples, 4 produced increased absolute or relative kidney weight, or both, coupled with a statistically significant alteration in at least one of the measured serum parameters (urea nitrogen (BUN), creatinine (CREAT), and BUN/CREAT ratio). Although the waste samples had been analyzed for a number of organic chemicals and 7 of the 10 samples were analyzed also for 12 elemental metals and metalloids, their nephrotoxicity was not readily predicted from the partial chemical characterization data. Because the chemical form or speciation of the metals was unknown, it was not possible to estimate their contribution to the observed biological response. Various experimental approaches, including use of real-world complex mixtures, chemically defined synthetic mixtures, and simple mixtures, will be necessary to adequately determine the potential human health risk from exposure to complex chemical mixtures. PMID:7621803

  9. Secondary organic aerosol formation from xylenes and mixtures of toluene and xylenes in an atmospheric urban hydrocarbon mixture: Water and particle seed effects (II)

    NASA Astrophysics Data System (ADS)

    Zhou, Yang; Zhang, Haofei; Parikh, Harshal M.; Chen, Eric H.; Rattanavaraha, Weruka; Rosen, Elias P.; Wang, Wenxing; Kamens, Richard M.

    2011-07-01

    Secondary organic aerosol (SOA) formation from the photooxidation of o-, p-xylene, and toluene with xylene mixtures was investigated in the UNC dual outdoor smog chambers. Experiments were performed with different initial background aerosol concentrations and levels of relative humidity (RH) in the environment of an eleven component mixture of non-SOA-forming dilute urban hydrocarbon mixture, oxides of nitrogen and sunlight. Post-nucleation was observed in most of the experiments in the 14-20 nm range except under the conditions with high background aerosol (>5 μg m -3) and with low o-xylene concentrations (<0.092 ppmv). The SOA yields of o-xylene varied from 0.8% to 6.5% depending on the RH and initial seed concentrations. p-Xylene had a lower SOA yield compared with o-xylene and the yields in experiments with toluene and xylene mixtures ranged from 1.1% to 10.3%. SOA yield was found to be positively correlated with the particle water (H 2Op) content. A new condensed aromatic kinetic mechanism employing uptake of organics in H 2Op as a key parameter was applied to all the experiments and the simulations showed reasonable fits to the observed data.

  10. Importance of Aqueous-phase Secondary Organic Aerosol Formation from Aromatics in an Atmospheric Hydrocarbon Mixture

    NASA Astrophysics Data System (ADS)

    Parikh, H. M.; Carlton, A. G.; Vizuete, W.; Zhang, H.; Zhou, Y.; Chen, E.; Kamens, R. M.

    2010-12-01

    Two new secondary organic aerosol (SOA) modeling frameworks are developed, one based on an aromatic gas and particle-phase kinetic mechanism and another based on a parameterized SOA model used in conjunction with an underlying gas-phase mechanism, both of which simulate SOA formation through partitioning to two stable liquid phases: one hydrophilic containing particle aqueous-phase and the other hydrophobic comprising mainly organic components. The models were evaluated against outdoor smog chamber experiments with different combinations of initial toluene, o-xylene, p-xylene, toluene and xylene mixtures, NOx, non-SOA-forming hydrocarbon mixture, initial seed type, and humidity. Aerosol data for experiments with either ammonium sulfate or initial background seed particles, in the presence of an atmospheric hydrocarbon mixture, NOx and in sunlight under a dry atmosphere (RH = 6 to 10%) show reduced SOA formation when compared to experiments with similar initial gas and particle concentrations at higher relative humidities (RH = 40 to 90%). Both frameworks simulated reasonable fits to the total observed SOA concentrations under all conditions. For both dry and wet experiments with low initial seed, semi-volatile product partitioning in particle organic-phase is mass-transfer limited and is modeled using a dynamic gas-particle partitioning algorithm with accommodation coefficient as the primary pseudo-transport parameter. Further, the modeled SOA product distributions for both frameworks clearly show the importance of the contribution of aqueous-phase SOA particularly under conditions of low initial seed concentrations and high-humidity. For both models, under these conditions, aqueous-phase SOA from uptake of glyoxal, methylglyoxal and related polar products to particle water phase dominates as compared to the partitioning of semi-volatiles to particle organic phase. Interestingly, both the kinetic and parameterized SOA frameworks simulate similar amounts of aqueous-phase SOA for each experiment. For wet experiments with initial ammonium sulfate seed, the modeled fraction of aqueous-phase SOA is up to 82% of the total ammonium sulfate mass and for wet experiment with initial background seed this fraction is as high as 60% of the total particle mass formed for the duration of the experiments. This suggests that aqueous-phase SOA from oxidation of toluene and xylene, under atmospherically relevant conditions, is significant and should be part of kinetic or parameterized SOA modeling frameworks in current air quality models.

  11. Multi-atlas segmentation for abdominal organs with Gaussian mixture models

    NASA Astrophysics Data System (ADS)

    Burke, Ryan P.; Xu, Zhoubing; Lee, Christopher P.; Baucom, Rebeccah B.; Poulose, Benjamin K.; Abramson, Richard G.; Landman, Bennett A.

    2015-03-01

    Abdominal organ segmentation with clinically acquired computed tomography (CT) is drawing increasing interest in the medical imaging community. Gaussian mixture models (GMM) have been extensively used through medical segmentation, most notably in the brain for cerebrospinal fluid / gray matter / white matter differentiation. Because abdominal CT exhibit strong localized intensity characteristics, GMM have recently been incorporated in multi-stage abdominal segmentation algorithms. In the context of variable abdominal anatomy and rich algorithms, it is difficult to assess the marginal contribution of GMM. Herein, we characterize the efficacy of an a posteriori framework that integrates GMM of organ-wise intensity likelihood with spatial priors from multiple target-specific registered labels. In our study, we first manually labeled 100 CT images. Then, we assigned 40 images to use as training data for constructing target-specific spatial priors and intensity likelihoods. The remaining 60 images were evaluated as test targets for segmenting 12 abdominal organs. The overlap between the true and the automatic segmentations was measured by Dice similarity coefficient (DSC). A median improvement of 145% was achieved by integrating the GMM intensity likelihood against the specific spatial prior. The proposed framework opens the opportunities for abdominal organ segmentation by efficiently using both the spatial and appearance information from the atlases, and creates a benchmark for large-scale automatic abdominal segmentation.

  12. A mixture of environmental organic contaminants in lake sediments affects hatching from Daphnia resting eggs.

    PubMed

    Mst, Markus; Chiaia-Hernandez, Aurea C; Frey, Martin P; Hollender, Juliane; Spaak, Piet

    2015-02-01

    Despite the relevance of resting eggs for ecology and evolution of many aquatic organisms and their exposure to contaminants accumulating in sediments, ecotoxicological studies using resting eggs are vastly underrepresented. The authors established a method to perform exposure assays with resting eggs produced by the Daphnia longispina species complex, key species in large lake ecosystems. A mixture of organic contaminants previously detected in sediments of Lake Greifensee was selected to test the potential effect of organic contaminants present in sediments on the hatching process. Resting eggs were exposed to a mix of 10 chemicals, which included corrosion inhibitors, biocides, pesticides, and personal care products, for a period of 15?d. Using an automated counting software, the authors found a significant increase in hatching success in the exposed resting eggs compared with controls. Such an effect has not yet been reported from ecotoxicological assays with resting eggs. Possible mechanistic explanations as well as the potential implications on the ecology and evolution of aquatic species that rely on a resting egg banks are discussed. Observed increased mortality and developmental abnormalities for hatchlings in the exposure treatments can be explained by toxic contaminant concentrations. The results of the present study highlight the need for additional studies assessing the effects of organic contaminants on resting egg banks and aquatic ecosystems. PMID:25394187

  13. Site-specific sorption values for mixtures of volatile and semivolatile organic compounds in sandy soils

    SciTech Connect

    Carmichael, L.M.; Smith, T.G.; Pardieck, D.L.

    1999-05-01

    The purpose of this work was to determine site-specific partition coefficients, K{sub d} values, for the sorption and desorption of a mixture of 11 volatile and semivolatile organic compounds (VOC and SVOC) in subsurface, low organic soils and ground water from the Toms River Superfund site in southern New Jersey. Although literature K{sub d} values are available for some of these compounds, many of the previously published values were measured with single compounds instead of a mixture of compounds. K{sub d} values were determined via column desorption studies using soils with preexisting contamination and uncontaminated site ground water via retardation factors and via batch sorption studies with contaminated ground water and uncontaminated soils. Partition coefficients estimated from the batch and column studies were usually not different across VOC/SVOC and were usually not related to solubility characteristics of the target compounds. K{sub d} values derived from the column experiments were usually an order of magnitude smaller than those estimated from the batch studies. Estimates of K{sub d} values through log K{sub ow} or water solubility relationships were usually greater than the experimentally derived K{sub d} values, especially for those compounds with log K{sub ow} values greater than 3. Predicted K{sub d} values from the partition models were similar to calculated values for the less hydrophobic compounds (Log K{sub ow} < 3). In addition, K{sub d} values determined from batch and column studies were usually smaller than literature values. These comparisons suggest that determining site-specific partition coefficients is necessary for hydrophobic compounds in soils or sediments that have low organic carbon contents.

  14. Polymer coated quartz crystal microbalance sensors for detection of volatile organic compounds in gas mixtures.

    PubMed

    Si, Pengchao; Mortensen, John; Komolov, Alexei; Denborg, Jens; Møller, Preben Juul

    2007-08-01

    By coating different conducting polymers of thiophene and its derivatives on quartz crystal microbalance (QCM) sensor surfaces, new novel QCM gas sensors have been produced in two simple ways, which could classify testing gas samples of volatile organic compounds (VOCs) gases. Principle components analysis (PCA) has been performed based on the QCM measurement results, which shows that our QCM sensors array has very good utilizing potential on sensing both polar and low-polar/nonpolar VOC gases. The sensitivity, selectivity, reproducibility and detection limit of QCM sensors have also been discussed. Quantitative variation of sensitivity response with the increasing concentration has been studied. (PLS) analysis and prediction of concentrations of single gas in mixtures have been carried out. PMID:17683733

  15. Technical Note: Dissolved organic matter fluorescence - a finite mixture approach to deconvolve excitation-emission matrices

    NASA Astrophysics Data System (ADS)

    Butturini, A.; Ejarque, E.

    2013-03-01

    The analysis of the shape of excitation-emission matrices (EEMs) is a relevant tool for exploring the origin, transport and fate of dissolved organic matter (DOM) in aquatic ecosystems. Within this context, the decomposition of EEMs is acquiring a notable relevance. A simple mathematical algorithm that automatically deconvolves single EEM is described, creating new possibilities for the comparison of DOM fluorescence properties and EEMs that are very different from each other. A mixture model approach is adopted to decompose complex surfaces into sub-peaks. The laplacian operator and the Nelder-Mead optimization algorithm are implemented to individuate and automatically locate potential peaks in the EEM landscape. A small heterogeneous data set of 21 EEMs from a human-impacted Mediterranean river is used to describe the model application and to illustrate a strategy that optimises the search for the optimal output.

  16. Extraction of betulin, trimyristin, eugenol and carnosic acid using water-organic solvent mixtures.

    PubMed

    Lugemwa, Fulgentius N

    2012-01-01

    A solvent system consisting of ethyl acetate, ethyl alcohol and water, in the volume ratio of 4.5:4.5:1, was developed and used to extract, at room temperature, betulin from white birch bark and antioxidants from spices (rosemary, thyme, sage, and oregano) and white oak chips. In addition, under reflux conditions, trimyristin was extracted from nutmeg using the same solvent system, and eugenol from olives was extracted using a mixture of salt water and ethyl acetate. The protocol demonstrates the use of water in organic solvents to extract natural products from plants. Measurement of the free-radical scavenging activity using by 2,2-diphenyl-1-picrylhydrazyl (DPPH) indicated that the extraction of plant material using ethyl acetate, ethyl alcohol and water (4.5:4.5:1, v/v/v) was exhaustive when carried out at room temperature for 96 h. PMID:22864237

  17. Neurotoxic effects of controlled exposure to a complex mixture of volatile organic compounds. Final report

    SciTech Connect

    Otto, D.A.; Molhave, L.; Hudnell, H.K.; Goldstein, G.; O'Neil, J.

    1990-03-01

    Subjective reactions of discomfort, impaired air quality, irritation of mucosal membranes, and impaired memory have been reported in chemically sensitive subjects during exposure to volatile organic compounds (VOCs) found in new buildings. 66 normal healthy male subjects aged 18-39 were exposed for 2.75 hrs to a complex VOC mixture at O and 25 mg/cu m. Each subject completed control and exposure sessions at one week intervals in counterbalanced order. Measurements included comfort ratings of eye, nose and throat irritation, symptom questionnaire and computerized behavioral tests. Subjects found the odor of VOCs unpleasant and strong and reported that VOC exposure degraded air quality, increased headache and produced general discomfort. VOC exposure did not affect performance on any behavioral tests. Results indicate that subjective reactions to VOCs are not limited to chemically sensitive individuals since the study population is a subgroup that is probably least likely to be affected by chemical exposure.

  18. Neurobehavioral and sensory irritant effects of controlled exposure to a complex mixture of volatile organic compounds

    SciTech Connect

    Otto, D.; Molhave, L.; Rose, G.; Hudnell, H.K.; House, D. )

    1990-11-01

    Subjective reactions of discomfort, impaired air quality, irritation of mucosal membranes, and impaired memory have been reported in chemically sensitive subjects during exposure to volatile organic compounds (VOCs) found in new buildings. Sixty-six normal healthy male subjects aged 18-39 were exposed for 2.75 hr to a complex VOC mixture at 0 and 25 mg/m3. Each subject completed control and exposure sessions at one-week intervals in counterbalanced order. Measurements included comfort ratings of eye, nose and throat irritation, symptom questionnaire and computerized behavioral tests. Subjects found the odor of VOCs unpleasantly strong and reported that VOC exposure degraded air quality, increased headache and produced general discomfort. VOC exposure did not affect performance on any behavioral tests.

  19. The shock synthesis of complex organics from impacts into cometary analogue mixtures

    NASA Astrophysics Data System (ADS)

    Price, M.; Wozniakiewicz, P.; Cole, M.; Martins, Z.; Burchell, M.

    2014-07-01

    Introduction: If amino acids are required for the evolution of life, what was their source? Many different theories abound as to the source of amino acids on the early Earth including exogenous delivery from comets/asteroids (for example, glycine was found recently on comet Wild-2 [1]), formation in the protoplanetary nebula [2], or UV catalysed reactions of gases [3]. An alternative explanation is that amino acids can be shock-synthesised during the impact on an icy body onto a rocky body (or, equivalently, the impact of rocky body onto an icy surface). This theory is supported by computer simulations [4] and by very recent experimental data, which demonstrated the formation of simple (including abiotic) amino acids from shocks into ice mixtures mimicking the composition of comets and the surfaces of the icy Jovian and Saturnian satellites. Although the results from these experiments are fundamentally important, the yield of synthesised amino acids was low (nano-grams of material), complicating their detection and identification. In order to increase the collected yield of complex organics, and aid in their detection and identification, we have implemented a new collection technique within our hypervelocity impact facility. Experimental Methodology: Figure 1A) shows a low-resolution high-speed photograph of an impact plasma generated from an impact of a stainless-steel sphere into a mixture of water, CO_{2}, ammonia, and methanol ices. The plasma has an intense blue colour, and lasted for < 1 msec (the frame-rate of the camera). It is during and within this flash that complex organics are most likely synthesised, and thus to maximise the collection of these materials, we have implemented a new collection mechanism. Figure 1B) shows the prototype collection mechanism. Here an aluminium cold-plate (˜150 K) is placed in front of the target holder containing the ice mixtures. The plate has a central hole which allows the projectile to pass through to impact the ice mix. The plate also has two brass holders (Fig. 1C) which contain 10-mm diameter discs of high purity, sterilised gold foil (also at low temperature). During the impact, the plasma will condense onto the cold surfaces of the gold foil. One of the gold foils is pointed directly at the ice mixture, the other is pointed backwards into the gun's target chamber (and thus acts as a control). The gold discs can then be removed (Fig. 1D) and mounted onto stubs for analyses using Raman spectroscopy, SEM-EDX, GC-MS as required. Preliminary Results: Several trial shots have been performed using this system and residues have been found. The initial analysis of these residues is now underway and the results will be presented at the conference. If successful, this collection and analysis methodology will greatly speed up the number of experiments that can be done, allowing us to explore a large parameter space and determine the efficiency of shock syntheses of complex organics as a function of impact speed (peak shock pressure) and target composition.

  20. Determination of single photon ionization cross sections for quantitative analysis of complex organic mixtures.

    PubMed

    Adam, Thomas; Zimmermann, Ralf

    2007-11-01

    Soft single photon ionization (SPI)-time-of-flight mass spectrometry (TOFMS) is well suited for fast and comprehensive analysis of complex organic gas mixtures, which has been demonstrated in various applications. This work describes a calibration scheme for SPI, which enables quantification of a large number of compounds by only calibrating one compound of choice, in this case benzene. Photoionization cross sections of 22 substances were determined and related to the yield of benzene. These substances included six alkanes (pentane, hexane, heptane, octane, nonane, decane), three alkenes (propene, butane, pentene), two alkynes (propyne, butyne), two dienes (butadiene, isoprene), five monoaromatic species (benzene, toluene, xylene, styrene, monochlorobenzene) and NO. The cross sections of organic compounds differ by about one order of magnitude but the photoionization properties of compounds belonging to one compound class are rather similar. Therefore, the scheme can also be used for an approximate quantification of compound classes. This is demonstrated by a fast characterization and pattern recognition of two gasoline samples with different origins (Germany and South Africa) and a diesel sample (Germany). The on-line capability of the technique and the scheme is demonstrated by quantitatively monitoring and comparing the cold engine start of four vehicles: a gasoline passenger car, a diesel van, a motorbike and a two-stroke scooter. PMID:17874081

  1. An assessment of air quality reflecting the chemosensory irritation impact of mixtures of volatile organic compounds.

    PubMed

    Abraham, Michael H; Gola, Joelle M R; Cometto-Muñiz, J Enrique

    2016-01-01

    We present a method to assess the air quality of an environment based on the chemosensory irritation impact of mixtures of volatile organic compounds (VOCs) present in such environment. We begin by approximating the sigmoid function that characterizes psychometric plots of probability of irritation detection (Q) versus VOC vapor concentration to a linear function. First, we apply an established equation that correlates and predicts human sensory irritation thresholds (SIT) (i.e., nasal and eye irritation) based on the transfer of the VOC from the gas phase to biophases, e.g., nasal mucus and tear film. Second, we expand the equation to include other biological data (e.g., odor detection thresholds) and to include further VOCs that act mainly by "specific" effects rather than by transfer (i.e., "physical") effects as defined in the article. Then we show that, for 72 VOCs in common, Q values based on our calculated SITs are consistent with the Threshold Limit Values (TLVs) listed for those same VOCs on the basis of sensory irritation by the American Conference of Governmental Industrial Hygienists (ACGIH). Third, we set two equations to calculate the probability (Qmix) that a given air sample containing a number of VOCs could elicit chemosensory irritation: one equation based on response addition (Qmix scale: 0.00 to 1.00) and the other based on dose addition (1000*Qmix scale: 0 to 2000). We further validate the applicability of our air quality assessment method by showing that both Qmix scales provide values consistent with the expected sensory irritation burden from VOC mixtures present in a wide variety of indoor and outdoor environments as reported on field studies in the literature. These scales take into account both the concentration of VOCs at a particular site and the propensity of the VOCs to evoke sensory irritation. PMID:26550706

  2. A neurological evaluation of workers exposed to mixtures of organic solvents.

    PubMed Central

    Maizlish, N A; Fine, L J; Albers, J W; Whitehead, L; Langolf, G D

    1987-01-01

    Workers with long term exposure to mixtures of organic solvents below regulatory limits have been reported to experience mild, but clinically detectable, sensory or sensorimotor polyneuropathies. In conjuction with a cross sectional study of behavioural performance a clinical neurological evaluation was conducted among printers and spray painters to examine dose response relations. All 240 subjects completed an occupational history and symptom questionnaire and underwent a clinical neurological examination. On average, subjects had been employed on their current job for six years. Classification of solvent exposure for each subject was based on exposed versus non-exposed job titles and observations during an industrial hygiene walk-through or on the measured concentration of solvents in full shift personal air samples. The average full shift solvent concentration was 302 ppm for printing plant workers and 6-13 ppm for workers at other plants. Isopropanol and hexane were the major constituents. Neurological abnormalities consistent with mild polyneuropathy were found in 16% of subjects; none was clinically significant. Exposed/non-exposed comparisons showed slightly higher frequency of symptoms in the exposed subjects which was not related to solvent level. Subjects categorised as exposed during the walk- through survey also had poorer vibratory sensation measured at the foot and diminished ankle reflexes. In multiple linear regression models, however, controlling for age, sex, alcohol intake, and examiner, no significant (p less than 0.05) relation was found between solvent concentration and poor neurological function except for two point discrimination measured at the foot. This investigation has not provided evidence for dose related adverse neurological effects from exposure to moderately low levels of solvent mixtures for a relatively short duration, although this may be due to the shortness of exposure duration, the type of solvent exposure, or to selection factors. PMID:3814530

  3. Health Effects of a Mixture of Indoor Air Volatile Organics, Their Ozone Oxidation Products, and Stress

    PubMed Central

    Fiedler, Nancy; Laumbach, Robert; Kelly-McNeil, Kathie; Lioy, Paul; Fan, Zhi-Hua; Zhang, Junfeng; Ottenweller, John; Ohman-Strickland, Pamela; Kipen, Howard

    2005-01-01

    In our present study we tested the health effects among women of controlled exposures to volatile organic compounds (VOCs), with and without ozone (O3), and psychological stress. Each subject was exposed to the following three conditions at 1-week intervals (within-subject factor): VOCs (26 mg/m3), VOCs + O3 (26 mg/m3 + 40 ppb), and ambient air with a 1-min spike of VOCs (2.5 mg/m3). As a between-subjects factor, half the subjects were randomly assigned to perform a stressor. Subjects were 130 healthy women (mean age, 27.2 years; mean education, 15.2 years). Health effects measured before, during, and after each 140-min exposure included symptoms, neurobehavioral performance, salivary cortisol, and lung function. Mixing VOCs with O3 was shown to produce irritating compounds including aldehydes, hydrogen peroxide, organic acids, secondary organic aerosols, and ultrafine particles (particulate matter with aerodynamic diameter < 0.1 μm). Exposure to VOCs with and without O3 did not result in significant subjective or objective health effects. Psychological stress significantly increased salivary cortisol and symptoms of anxiety regardless of exposure condition. Neither lung function nor neurobehavioral performance was compromised by exposure to VOCs or VOCs + O3. Although numerous epidemiologic studies suggest that symptoms are significantly increased among workers in buildings with poor ventilation and mixtures of VOCs, our acute exposure study was not consistent with these epidemiologic findings. Stress appears to be a more significant factor than chemical exposures in affecting some of the health end points measured in our present study. PMID:16263509

  4. IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures

    NASA Astrophysics Data System (ADS)

    Acree, William E.

    2013-03-01

    This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures. Published solubility data for anthracene, phenanthrene, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 119 different solute-ternary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated here.

  5. IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

    NASA Astrophysics Data System (ADS)

    Acree, William E.

    2013-03-01

    This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures. Published solubility data for anthracene, naphthalene, phenanthrene, phenothiazine, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 360 different solute-binary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.

  6. Study of binary and ternary azeotropes formed by 1,4-butylene glycol and diethylene glycol with alcohols and hydrocarbons

    SciTech Connect

    Shleinikova, M.V.; Smirnova, T.N.; Kushner, T.M.

    1988-04-10

    The azeotropic parameters in the 1,4-BG-C/sub 9/C/sub 15/ alcohol series at 13.33 kPa and the DEG-C/sub 9/-C/sub 16/ alcohol series at 2.67 kPa were experimentally determined. Azeotropy was experimentally studied in 14 1,4-BG-alcohol-hydrocarbon ternary systems. It was found that C/sub 8/ and C/sub 15/ alcohols are the alcohols with the lowest and highest molecular weights which form ternary azeotropes with 1,4-BG, and they are C/sub 8/ and C/sub 16/ alcohols for DEG. 1,4-BG is recommended as a separating agent for purification of hydrocarbons from the C/sub 17/-C/sub 20/ fraction of alcohols by the method of heteroazeotropic rectification.

  7. A COMPARISON OF THE LETHAL AND SUBLETHAL TOXICITY OF ORGANIC CHEMICAL MIXTURES TO THE FATHEAD MINNOW (PIMEPHALES PROMELAS)

    EPA Science Inventory

    The joint toxic effects of known binary and multiple organic chemical mixtures to the fathead minnow (Pimephales promelas) were defined at both the 96-h 50% lethal effect concentration (LC50) and sublethal (32-d growth) response levels for toxicants with a narcosis I, narcosis II...

  8. COMPARISON OF SORPTION ENERGETICS FOR HYDROPHOBIC ORGANIC CHEMICALS BY SYNTHETIC AND NATURAL SORBENTS FROM METHANOL/WATER SOLVENT MIXTURES

    EPA Science Inventory

    Reversed-phase liquid chromatography (RPLC) was used to investigate the thermodynamics and mechanisms of hydrophobic organic chemical (HOC) retention from methanol/water solvent mixtures. he enthalpy-entropy compensation model was used to infer that the hydrophobic sorptive mecha...

  9. COMPARISON OF SORPTION ENERGTICS FOR HYDROPHOBIC ORGANIC CHEMICALS BY SYNTHETIC AND NATURAL SORBENTS FROM METHANOL/WATER SOLVENT MIXTURES

    EPA Science Inventory

    Reversed-phase liquid chromatography (RPLC) was used to investigate the thermodynamics and mechanisms of hydrophobic organic chemical (HOC) retention from methanol/water solvent mixtures. The enthalpy-entropy compensation model was used to infer that the hydro- phobic sorptive me...

  10. Exposure of humans to a volatile organic mixture. 3. Inflammatory response

    SciTech Connect

    Koren, H.S.; Graham, D.E.; Devlin, R.B.

    1992-01-01

    A set of symptoms has been described during the past two decades that has been called the sick building syndrome. These symptoms include eye, nose, and throat irritation; headache; mental fatigue; and respiratory distress. It is likely that the volatile organic compounds (VOCs) present in synthetic materials used in homes and office buildings contribute to these symptoms. However, there have been very few studies in which humans have been exposed to known amounts of VOCs under carefully controlled conditions. In the study, 14 subjects were exposed to a mixture of VOCs (25 mg/sq meter total hydrocarbon) that is representative of what is found in new homes and office buildings. Because irritations of the nose and throat are symptoms often associated with the upper respiratory tract and may result from an inflammatory response in the upper airways, the authors used nasal lavage to monitor neutrophil (PMN) influx into the nasal passages following exposure to VOCs. There were statistically significant increases in PMNs, both immediately after a 4-h exposure to VOCs and 18 h later.

  11. Secondary organic aerosol formation from toluene in an atmospheric hydrocarbon mixture: Water and particle seed effects

    NASA Astrophysics Data System (ADS)

    Kamens, Richard M.; Zhang, Haofei; Chen, Eric H.; Zhou, Yang; Parikh, Harshal M.; Wilson, Rebecca L.; Galloway, Katherine E.; Rosen, Elias P.

    2011-04-01

    Atmospherically relevant secondary organic aerosol (SOA) concentrations from toluene, in an urban hydrocarbon environment, with oxides of nitrogen in natural sunlight, were studied in a large outdoor chamber with different initial humidity and types of initial seed aerosols. Ammonium sulfate particles (38 μg m -3) in the presence of an atmospheric hydrocarbon mixture and NOx in sunlight under a dry atmosphere (%RH = 6 to 10%) show reduced SOA formation when compared to similar gas phase conditions with lower ammonium sulfate (7 μg m -3) and higher relative humidities (%RH 40 to 90%). No post particle nucleation (particles in the 6 to 10 nm range) was observed in either seeded system. When initial background particles levels were below 0.5 μg m -3 particle nucleation was observed. A new condensed aromatic kinetic chemical mechanism was developed to simulate experimental data. A particle water phase was highly related to SOA formation. Reasonable fits to the gas and total SOA concentrations emphasize the important impact of different initial particle seed levels and particle phase water when simulating SOA formation from aromatic compounds like toluene.

  12. Human reactions to a mixture of indoor air volatile organic compounds

    NASA Astrophysics Data System (ADS)

    Kjærgaard, Søren K.; Mølhave, Lars; Pedersen, Ole F.

    A controlled experimental study of human reactions to a mixture of 22 volatile organic compounds often found in indoor air was performed in a climate chamber. Twenty-one healthy subjects were compared with a group of 14 subjects suffering from the 'sick building syndrome' (SBS subjects), i.e. having symptoms related to the indoor environment (irritated mucous membranes, headache, etc.) as defined by WHO in 1982. In groups of 4 these subjects were exposed during two successive periods to either 0 and 0 mg m -3, 25 and 0 mg m -3, or 0 and 25 mg m -3; 25 mg m -3 is equivalent to the highest concentrations expected in a new building. The study was double blinded, and a latin square design was used to balance out effects of day in the week and season. Both groups reacted subjectively to the air reporting worse odor, worse indoor air quality as defined by the subject, and more irritated mucous membranes in eye, throat and nose than in the clean environment. A tendency to a stronger response was seen among the SBS subjects. Objective measures indicated among others an exposure related reduction in lung function among SBS subjects. Both groups had an increased number of polymorphonuclear leucocytes in tear fluid as a result of exposure. This was not seen for nasal secretions. Psychological performance tests indicated an exposure related diminished ability to learn. In conclusion, the experiment indicates that exposure to volatile organic compounds in low concentrations as seen in new houses causes both subjective complaints and objective signs in normal healty subjects; but more so in subjects from the sick building syndrome.

  13. Evidences of nonideal mixing in poly(ethylene glycol)/organic solvent mixtures by Brillouin scattering.

    PubMed

    Pochylski, M; Aliotta, F; Błaszczak, Z; Gapiński, J

    2006-01-12

    The concentration dependence of the hypersonic properties of solutions of poly(ethylene glycol) of mean molecular mass 600 g/mol (PEG600) in benzene and toluene has been investigated by Brillouin scattering. The two solvents are very similar in structure and chemical properties, but while benzene is nonpolar, toluene possess a modest dipole. In both solvents a high-frequency relaxation process has been observed at high concentrations which has been assigned to conformational rearrangements of the polymeric chains, triggered by reorientation of the side groups. In both cases, the concentration dependence of the adiabatic compressibility deviates significantly from linearity, indicating the existence of nonideal mixing phenomena driven by aggregation processes taking place in the systems. However, there is no temperature dependence for solutions of PEG600 in benzene; on the contrary, the results obtained for solutions of PEG600 in toluene are noticeably dependent on the temperature. The comparison of the experimental data with the results of previous experiments on similar systems allows a general picture for weakly interacting mixtures of hydrogen-bonded systems and organic solvents to be developed. In particular, in the presence of a nonpolar solvent molecule the local structure of the mixture is dominated by solute self-association processes and any resulting solute-solvent correlation is barely induced by excluded volume effects. At high enough dilution the self-aggregation of solute molecules produces a variety of new local topologies that cannot be observed in bulk solute, and as a consequence, the concentration evolution of the system is too rich to be described in terms of a linear combination of a few components over the whole concentration range. The situation seems to be simpler for the polar toluene solvent molecules, where a three-component model seems able to fit the experimental concentration dependence of the hypersonic velocity. This result is interpreted to imply that the interaction between the solvent dipoles and the active sites of the solute produces a relatively stable heterocoordination, while the relevance of self-association is partially reduced. PMID:16471559

  14. RESPONSE OF PORTABLE VOC (VOLATILE ORGANIC COMPOUNDS) ANALYZERS TO CHEMICAL MIXTURES

    EPA Science Inventory

    The report gives the responses of two types of portable VOC analyzers (Century Systems OVA-108 and Bacharach TLV Sniffer), calibrated with methane and used to measure a variety of chemical vapor mixtures. Instrument response data for both binary and ternary mixtures of selected c...

  15. Transmission geometry laser desorption atmospheric pressure photochemical ionization mass spectrometry for analysis of complex organic mixtures.

    PubMed

    Nyadong, Leonard; Mapolelo, Mmilili M; Hendrickson, Christopher L; Rodgers, Ryan P; Marshall, Alan G

    2014-11-18

    We present laser desorption atmospheric pressure photochemical ionization mass spectrometry (LD/APPCI MS) for rapid throughput analysis of complex organic mixtures, without the need for matrix, electric discharge, secondary electrospray, or solvents/vaporizers. Analytes dried on a microscope slide are vaporized in transmission geometry by a laser beam aligned with the atmospheric pressure inlet of the mass spectrometer. The laser beam initiates a cascade of reactions in the region between the glass slide and MS inlet, leading to generation of reagent ions for chemical ionization of vaporized analyte. Positive analyte ions are generated predominantly by proton transfer, charge exchange, and hydride abstraction, whereas negative ions are generated by electron capture or proton transfer reactions, enabling simultaneous analysis of saturated, unsaturated, and heteroatom-containing hydrocarbons. The absence of matrix interference renders LD/APPCI MS particularly useful for analysis of small molecules (<2000 Da) such as those present in petroleum crude oil and petroleum deposits. [M + H](+) and M(+) dominate the positive-ion mass spectra for olefins and polyaromatic hydrocarbons, whereas saturated hydrocarbons are observed mainly as [M - H](+) and/or M(+). Heteroatom-containing hydrocarbons are observed predominantly as [M + H](+). [M - H](-) and M(-) are the dominant negative ions observed for analytes of lower gas-phase basicity or higher electron affinity than O2. The source was coupled with a 9.4 T Fourier transform ion cyclotron resonance mass spectrometer (FTICR MS) to resolve and identify thousands of peaks from Athabasca bitumen heavy vacuum gas oil distillates (400-425 and 500-538 C), enabling simultaneous characterization of their polar and nonpolar composition. We also applied LD/APPCI FTICR MS for rapid analysis of sodium and calcium naphthenate deposits with little to no sample pretreatment to provide mass spectral fingerprints that enable reliable compositional characterization. PMID:25347814

  16. Soil surface colonization by phototrophic indigenous organisms, in two contrasted soils treated by formulated maize herbicide mixtures.

    PubMed

    Joly, Pierre; Misson, Benjamin; Perrière, Fanny; Bonnemoy, Frédérique; Joly, Muriel; Donnadieu-Bernard, Florence; Aguer, Jean-Pierre; Bohatier, Jacques; Mallet, Clarisse

    2014-11-01

    Soil phototrophic microorganisms, contributors to soil health and food webs, share their particular metabolism with plants. Current agricultural practices employ mixtures of pesticides to ensure the crops yields and can potentially impair these non-target organisms. However despite this environmental reality, studies dealing the susceptibility of phototrophic microorganisms to pesticide mixtures are scarce. We designed a 3 months microcosm study to assess the ecotoxicity of realistic herbicide mixtures of formulated S-metolachlor (Dual Gold Safeneur(®)), mesotrione (Callisto(®)) and nicosulfuron (Milagro(®)) on phototrophic communities of two soils (Limagne vertisol and Versailles luvisol). The soils presented different colonizing communities, with diatoms and chlorophyceae dominating communities in Limagne soil and cyanobacteria and bryophyta communities in Versailles soil. The results highlighted the strong impairment of Dual Gold Safeneur(®) treated microcosms on the biomass and the composition of both soil phototrophic communities, with no resilience after a delay of 3 months. This study also excluded any significant mixture effect on these organisms for Callisto(®) and Milagro(®) herbicides. We strongly recommend carrying on extensive soil studies on S-metolachlor and its commercial formulations, in order to reconsider its use from an ecotoxicological point of view. PMID:25129149

  17. Structural features of polymer adsorbent LiChrolut EN and interfacial behavior of water and water/organic mixtures.

    PubMed

    Gun'ko, V M; Turov, V V; Zarko, V I; Nychiporuk, Y M; Goncharuk, E V; Pakhlov, E M; Yurchenko, G R; Kulik, T V; Palyanytsya, B B; Borodavka, T V; Krupskaya, T V; Leboda, R; Skubiszewska-Zieba, J; Osovskii, V D; Ptushinskii, Y G; Turov, A V

    2008-07-01

    The structural and adsorption characteristics of polymer adsorbent LiChrolut EN and the behavior of adsorbed water and water/organic mixtures were studied using adsorption, microcalorimetry, transmission and scanning electron microscopy, mass spectrometry, infrared spectroscopy, 1H NMR spectroscopy with layer-by-layer freezing-out of liquids (190-273 K), and thermally stimulated depolarization current method (90-265 K). This adsorbent is characterized by large specific surface area (approximately 1500 m2/g) and pore volume (0.83 cm3/g) with a major contribution of narrow pores (R<10 nm) of a complicated shape (long hysteresis loop is in nitrogen adsorption-desorption isotherm). The adsorbent includes aromatic and aliphatic structures and oxygen-containing functionalities and can effectively adsorb organics and water/organic mixtures. On co-adsorption of water and organics (dimethyl sulfoxide, chloroform, methane), there is a weak influence of one on another adsorbate due to their poor mixing in pores. Weakly polar chloroform displaces a fraction of water from narrow pores. These effects can explain high efficiency of the adsorbent in solid-phase extraction of organics from aqueous solutions. The influence of structural features of several carbon and polymer adsorbents on adsorbed nitrogen, water and water/organics is compared on the basis of the adsorption and 1H NMR data. PMID:18440015

  18. Screening Metal-Organic Frameworks by Analysis of Transient Breakthrough of Gas Mixtures in a Fixed Bed Adsorber

    SciTech Connect

    Krishna, Rajamani; Long, Jeffrey R.

    2011-07-07

    Metal–organic frameworks (MOFs) offer considerable potential for separating a variety of mixtures that are important in applications such as CO₂ capture and H₂ purification. In view of the vast number of MOFs that have been synthesized, there is a need for a reliable procedure for comparing screening and ranking MOFs with regard to their anticipated performance in pressure swing adsorption (PSA) units. For this purpose, the most commonly used metrics are the adsorption selectivity and the working capacity. Here, we suggest an additional metric for comparing MOFs that is based on the analysis of the transient response of an adsorber to a step input of a gaseous mixture. For a chosen purity of the gaseous mixture exiting from the adsorber, a dimensionless breakthrough time τ{sub break} can be defined and determined; this metric determines the frequency of required regeneration and influences the productivity of a PSA unit. The values of τ{sub break} are dictated both by selectivity and by capacity metrics .By performing transient adsorber calculations for separation of CO₂/H₂, CO₂/CH₄, CH₄/H₂, and CO₂/CH₄/H₂ mixtures, we compare the values of τbreak to highlight some important advantages of MOFs over conventionally used adsorbents such as zeolite NaX. For a given separation duty, such comparisons provide a more realistic ranking of MOFs than afforded by either selectivity or capacity metrics alone. We conclude that breakthrough calculations can provide an essential tool for screening MOFs.

  19. Pervaporation Separation of Water-Ethanol Mixtures Using Organic-Inorganic Nanocomposite Membranes

    EPA Science Inventory

    Preyssler type heteropolyacid viz., H14[NaP5W30O110] incorporated chitosan nanocomposite membranes (NCMs) were prepared by solution casting, characterized using a variety of techniques and employed in the pervaporation separation of water-ethanol mixtures as a function of feed wa...

  20. Binary Mixtures of Permanganate and Chlorinated Volatile Organic Compounds in Groundwater Samples: Sample Preservation and Analysis

    EPA Science Inventory

    Ground water samples collected at sites where in-situ chemical oxidation (ISCO) has been deployed may contain binary mixtures of ground water contaminants and permanganate (MnO4-), an oxidant injected into the subsurface to destroy the contaminant. Commingling of the oxidant and ...

  1. Effects of a combination of hinokitiol (β-thujaplicin) and an organic acid mixture on ruminal fermentation in heifers fed a high-grain diet.

    PubMed

    Ishii, Junichiro; Omura, Hiroshi; Mitsui, Tadao; Eguchi, Norichika; Ueno, Takashi; Goto, Hisaya; Ito, Hiroshi

    2012-01-01

    This study evaluated the effects of hinokitiol (a natural antibacterial compound extracted from Thujopsis dolabrata var. hondai) and an organic acid mixture (citrate content 50%) on ruminal fermentation. Antibacterial properties were examined by measuring minimal inhibitory concentration. Hinokitiol at 1.56µg/mL or an organic acid mixture at 1600µg/mL inhibited Streptococcus bovis growth. The combination of 0.78µg/mL hinokitiol and 200µg/mL of an organic acid mixture also inhibited S. bovis growth. Both hinokitiol and the hinokitiol and an organic acid mixture combination showed strong antibacterial properties on Gram-positive bacteria such as S. bovis, but relatively weak antibacterial activities on Gram-negative bacteria such as Megasphaera elsdenii. Three ruminally cannulated heifers were fed a bloat-producing diet containing barley, pelleted alfalfa meal, soybean meal and salt without long-cut roughage to investigate the ruminal characteristics in vivo. Feeding to heifers a bloat-producing diet containing 7.8mg/kg hinokitiol and 0.2% of an organic acid mixture significantly decreased the increase in stable ingesta volume. Hinokitiol or an organic acid mixture did not affect ruminal volatile fatty acids, protozoa and bacteria. These results suggest that a combination of hinokitiol and an organic acid mixture might reduce frothy bloat in cattle fed high-grain diets. PMID:22250737

  2. Influence of Wetting and Mass Transfer Properties of Organic Chemical Mixtures in Vadose Zone Materials on Groundwater Contamination by Nonaqueous Phase Liquids

    SciTech Connect

    Charles J Werth; Albert J Valocchi, Hongkyu Yoon

    2011-05-21

    Previous studies have found that organic acids, organic bases, and detergent-like chemicals change surface wettability. The wastewater and NAPL mixtures discharged at the Hanford site contain such chemicals, and their proportions likely change over time due to reaction-facilitated aging. The specific objectives of this work were to (1) determine the effect of organic chemical mixtures on surface wettability, (2) determine the effect of organic chemical mixtures on CCl4 volatilization rates from NAPL, and (3) accurately determine the migration, entrapment, and volatilization of organic chemical mixtures. Five tasks were proposed to achieve the project objectives. These are to (1) prepare representative batches of fresh and aged NAPL-wastewater mixtures, (2) to measure interfacial tension, contact angle, and capillary pressure-saturation profiles for the same mixtures, (3) to measure interphase mass transfer rates for the same mixtures using micromodels, (4) to measure multiphase flow and interphase mass transfer in large flow cell experiments, all using the same mixtures, and (5) to modify the multiphase flow simulator STOMP in order to account for updated P-S and interphase mass transfer relationships, and to simulate the impact of CCl4 in the vadose zone on groundwater contamination. Results and findings from these tasks and summarized in the attached final report.

  3. Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures

    NASA Astrophysics Data System (ADS)

    Hu, Tong-Liang; Wang, Hailong; Li, Bin; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Zhao, Yunfeng; Han, Yu; Wang, Xue; Zhu, Weidong; Yao, Zizhu; Xiang, Shengchang; Chen, Banglin

    2015-06-01

    The removal of acetylene from ethylene/acetylene mixtures containing 1% acetylene is a technologically very important, but highly challenging task. Current removal approaches include the partial hydrogenation over a noble metal catalyst and the solvent extraction of cracked olefins, both of which are cost and energy consumptive. Here we report a microporous metal-organic framework in which the suitable pore/cage spaces preferentially take up much more acetylene than ethylene while the functional amine groups on the pore/cage surfaces further enforce their interactions with acetylene molecules, leading to its superior performance for this separation. The single X-ray diffraction studies, temperature dependent gas sorption isotherms, simulated and experimental column breakthrough curves and molecular simulation studies collaboratively support the claim, underlying the potential of this material for the industrial usage of the removal of acetylene from ethylene/acetylene mixtures containing 1% acetylene at room temperature through the cost- and energy-efficient adsorption separation process.

  4. Complex mixture analysis of organic compounds in green coffee bean extract by two-dimensional NMR spectroscopy.

    PubMed

    Wei, Feifei; Furihata, Kazuo; Hu, Fangyu; Miyakawa, Takuya; Tanokura, Masaru

    2010-11-01

    A complex mixture analysis by one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy was carried out for the first time for the identification and quantification of organic compounds in green coffee bean extract (GCBE). A combination of (1)H-(1)H DQF-COSY, (1)H-(13)C HSQC, and (1)H-(13)C CT-HMBC two-dimensional sequences was used, and 16 compounds were identified. In particular, three isomers of caffeoylquinic acid were identified in the complex mixture without any separation. In addition, GCBE components were quantified by the integration of carbon signals by use of a relaxation reagent and an inverse-gated decoupling method without a nuclear Overhauser effect. This NMR methodology provides detailed information about the kinds and amounts of GCBE components, and in our study, the chemical makeup of GCBE was clarified by the NMR results. PMID:20818806

  5. Microporous metal–organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures

    PubMed Central

    Hu, Tong-Liang; Wang, Hailong; Li, Bin; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Zhao, Yunfeng; Han, Yu; Wang, Xue; Zhu, Weidong; Yao, Zizhu; Xiang, Shengchang; Chen, Banglin

    2015-01-01

    The removal of acetylene from ethylene/acetylene mixtures containing 1% acetylene is a technologically very important, but highly challenging task. Current removal approaches include the partial hydrogenation over a noble metal catalyst and the solvent extraction of cracked olefins, both of which are cost and energy consumptive. Here we report a microporous metal–organic framework in which the suitable pore/cage spaces preferentially take up much more acetylene than ethylene while the functional amine groups on the pore/cage surfaces further enforce their interactions with acetylene molecules, leading to its superior performance for this separation. The single X-ray diffraction studies, temperature dependent gas sorption isotherms, simulated and experimental column breakthrough curves and molecular simulation studies collaboratively support the claim, underlying the potential of this material for the industrial usage of the removal of acetylene from ethylene/acetylene mixtures containing 1% acetylene at room temperature through the cost- and energy-efficient adsorption separation process. PMID:26041691

  6. High resolution mass spectroscopy for the characterization of complex, fossil organic mixtures

    SciTech Connect

    Winans, R.E.; Haas, G.W.; Kim, Y.L.; Hunt, J.E.

    1995-12-31

    The nature of molecules with heteroatom functionality in the Argonne Premium Coal Samples and petroleum samples is being explored using high resolution mass spectrometry (HRMS). Both desorption electron impact and desorption chemical ionization (DCI) are used to sample the mixtures. Structural information is obtained from tandem MS experiments using high resolution to select the ions to fragment. The first DCI HRMS spectra of complex mixtures will be shown. Quantitative aspects and the method for obtaining precise mass measurements in chemical ionization will be discussed. Molecular weight distribution determined by DCI are similar to those determined by laser desorption and field ionization mass spectrometry with very little ion intensity observed at greater than 1000 Daltons. Results will be correlated with other techniques such as NMR, XPS, and XANES.

  7. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures

    NASA Astrophysics Data System (ADS)

    Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.

    2015-04-01

    This article reports results from the molecular dynamics simulations on the structural arrangement of the ions and molecules in the mixtures of trihexyl(tetradecyl)phosphonium chloride ([P666,14+][Cl-]) ionic liquid (IL) and methanol (MeOH) over the entire composition range. Effects of composition on the charge and polarity orderings have been investigated via computation of X-ray scattering structure function, S(q), and by using a partitioning scheme proposed for such multi-component mixtures. Except for the neat methanol liquid, the total S(q) shows two peaks in its intermolecular region for all the mole-fractions. The lowest q peak is dominated primarily by anion-anion, cation-anion, and methanol-anion correlations. Our results signify that the methanol bulk structure, which predominantly has short-distance characteristic correlations and is governed by polar group of methanol, is retained for xIL ≤ 0.1. Then, the mixture goes through gradual structural changes from methanol-like to the IL-like for 0.1 < xIL ≤ 0.7. The dipolar interaction between methanol molecules weakens in this range, and the structural landscape of the mixture is steered by strong ion-ion, anion-methanol, and nonpolar interactions. The IL-like structural arrangement is virtually recovered for xIL > 0.7. At all the compositions studied, while the cation head groups are predominantly solvated by anions and subsequently by methanol molecules, the polar hydroxyl group of methanol is preferentially solvated by the anions. The radial distribution functions of selected pair of atomic species have also confirmed these observations.

  8. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures

    SciTech Connect

    Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.

    2015-04-07

    This article reports results from the molecular dynamics simulations on the structural arrangement of the ions and molecules in the mixtures of trihexyl(tetradecyl)phosphonium chloride ([P{sub 666,14}{sup +}][Cl{sup −}]) ionic liquid (IL) and methanol (MeOH) over the entire composition range. Effects of composition on the charge and polarity orderings have been investigated via computation of X-ray scattering structure function, S(q), and by using a partitioning scheme proposed for such multi-component mixtures. Except for the neat methanol liquid, the total S(q) shows two peaks in its intermolecular region for all the mole-fractions. The lowest q peak is dominated primarily by anion-anion, cation-anion, and methanol-anion correlations. Our results signify that the methanol bulk structure, which predominantly has short-distance characteristic correlations and is governed by polar group of methanol, is retained for x{sub IL} ≤ 0.1. Then, the mixture goes through gradual structural changes from methanol-like to the IL-like for 0.1 < x{sub IL} ≤ 0.7. The dipolar interaction between methanol molecules weakens in this range, and the structural landscape of the mixture is steered by strong ion-ion, anion-methanol, and nonpolar interactions. The IL-like structural arrangement is virtually recovered for x{sub IL} > 0.7. At all the compositions studied, while the cation head groups are predominantly solvated by anions and subsequently by methanol molecules, the polar hydroxyl group of methanol is preferentially solvated by the anions. The radial distribution functions of selected pair of atomic species have also confirmed these observations.

  9. Phase equilibria and self-organizing behavior of side-chain liquid crystalline polymer mixtures

    NASA Astrophysics Data System (ADS)

    Chiu, Hao-Wen

    1998-12-01

    Phenomenological models for elucidating phase diagrams of binary smectic-A mixtures, polymer/smectic-A mixtures, induced smectic in nematic mixtures, and nematic/smectic mixtures have been proposed on the basis of the combination of the Flory-Huggins (FH) free energy of isotropic mixing and Maier-Saupe-McMillan (MSM) free energy for nematic/smectic ordering. The nematic and smectic order parameters have been coupled through the normalized partition and the orientation distribution functions. Flory-Huggins interaction parameter (chi) for isotropic mixing and the coupling term involving the nematic interaction parameter (nu) and the McMillan smectic interaction parameter (alpha) for phase transitions of liquid crystals have been incorporated in the calculation. The predictive capability of the combined FH/MSM theory has been demonstrated by testing with reported phase diagrams. Dynamics of phase separation and morphology development in mixtures of a nematic liquid crystal and a polymer due to thermal quenching have been investigated theoretically in comparison with experimental results. In the proposed model, the combined free energy densities of Flory-Huggins theory for isotropic mixing and Maier-Saupe (MS) theory for nematic ordering have been incorporated into the time-dependent Ginzburg-Landau equation (TDGL, type C). The temporal evolution of the structure factor and the emergence of phase separated liquid crystal (LC) domains have been simulated on the basis of an explicit central difference method based on a square lattice with a periodic boundary condition. Of particular interest is the observed plateau (or inflection) region in the growth dynamic curve, which may be attributed to the breakdown of the interconnected domains caused by the nematic ordering. The emergence of LC domains during polymerization induced phase separation in a polymer dispersed liquid crystal (PDLC) has been solved numerically by incorporating the reaction kinetics into the TDGL equations in conjunction with the combined FH/MS theory. It was found that when polymerization is initiated at a single-phase temperature, an ordered lamella-like structure forms while the average domain size decreases with elapsed time. The variation of length scale follows a nucleation initiated spinodal decomposition (NISD) mechanism triggered by the polymerization.

  10. Band-selective excited ultrahigh resolution PSYCHE-TOCSY: fast screening of organic molecules and complex mixtures.

    PubMed

    Kakita, Veera Mohana Rao; Vemulapalli, Sahithya Phani Babu; Bharatam, Jagadeesh

    2016-04-01

    Precise assignments of (1) H atomic sites and establishment of their through-bond COSY or TOCSY connectivity are crucial for molecular structural characterization by using (1) H NMR spectroscopy. However, this exercise is often hampered by signal overlap, primarily because of (1) H-(1) H scalar coupling multiplets, even at typical high magnetic fields. The recent developments in homodecoupling strategies for effectively suppressing the coupling multiplets into nice singlets (pure-shift), particularly, Morris's advanced broadband pure-shift yielded by chirp excitation (PSYCHE) decoupling and ultrahigh resolution PSYCHE-TOCSY schemes, have shown new possibilities for unambiguous structural elucidation of complex organic molecules. The superior broadband PSYCHE-TOCSY exhibits enhanced performance over the earlier TOCSY methods, which however warrants prolonged experimental times due to the requirement of large number of dwell increments along the indirect dimension. Herein, we present fast and band-selective analog of the broadband PSYCHE-TOCSY, which is useful for analyzing complex organic molecules that exhibit characteristic yet crowded spectral regions. The simple pulse scheme relies on band-selective excitation (BSE) followed by PSYCHE homodecoupling in the indirect dimension. The BSE-PSYCHE-TOCSY has been exemplified for Estradiol and a complex carbohydrate mixture comprised of six constituents of closely comparable molecular weights. The experimental times are greatly reduced viz., ~20 fold for Estradiol and ~10 fold for carbohydrate mixture, with respect to the broadband PSYCHE-TOCSY. Furthermore, unlike the earlier homonuclear band-selective decoupling, the BSE-PSYCHE-decoupling provides fully decoupled pure-shift spectra for all the individual chemical sites within the excited band. The BSE-PSYCHE-TOCSY is expected to have significant potential for quick screening of complex organic molecules and mixtures at ultrahigh resolution. Copyright © 2015 John Wiley & Sons, Ltd. PMID:26939986

  11. Menstrual disturbances and hormonal changes in women workers exposed to a mixture of organic solvents in a pharmaceutical company

    PubMed Central

    Hassani, Somayeh; Namvar, Mohamad; Ghoreishvandi, Maryam; Attarchi, Mirsaeed; Golabadi, Majid; Seyedmehdi, Seyed Mohammad; Khodarahmian, Mahshad

    2014-01-01

    Background: Chemicals are among risk factors that can affect women's reproductive system. This study is aimed to investigate the association of occupational exposure to a mixture of organic solvents with menstruation disturbances and hormonal changes among female workers. Methods: Female workers of a pharmaceutical company were divided into three groups of non-exposed, lowexposed and highly-exposed to a mixture of organic solvents (formaldehyde, phenol, N-hexane, and chloroform) based on workplace measurements. Menstrual disturbances (in terms of short cycles, long cycles, irregular cycles, and bleeding or spotting between periods) and mean of hormone levels (including follicle stimulating hormone, luteinizing hormone, thyroid stimulating hormone, prolactin, estrogen and progesterone levels) were compared between these three groups. For investigating associations, logistic regression was performed. Results: Our study showed that mean length of cycles, duration of bleeding, and amount of flow and also prevalence of long cycles, irregular cycles, and bleeding or spotting between periods were higher in exposed groups (p≤0.05). Odds ratio for prevalence of menstrual disturbances in the low exposure group and high exposure group were 9.69 (p=0.001) and 3.40 (p=0.002) respectively compared to the reference group. Estrogen and progesterone levels were not affected (p> 0.05), but other hormones levels were significantly disturbed in the exposed groups compared with the non-exposed group (p=0.001). Conclusion: Occupational exposure to the mixture of organic solvents may be associated with the increase of menstrual disorders and hormonal changes in female workers. Based on our findings, periodic evaluation of reproductive system of female workers in pharmaceutical companies is recommended. PMID:25695014

  12. PROCEDURES FOR DERIVING EQUILIBRIUM PARTITIONING SEDIMENT BENCHMARKS (ESBS) FOR THE PROTECTION OF BENTHIC ORGANISMS: METALS MIXTURES (CADMIUM, COPPER, LEAD, NICKEL, SILVER, AND ZINC)

    EPA Science Inventory

    This equilibrium partitioning sediment benchmark (ESB) document describes procedures to derive concentrations of metal mixtures in sediment which are protective of the presence of benthic organisms. The equilibrium partitioning (EqP) approach was chosen because it accounts for t...

  13. Titan in a Fume Hood: Room-Temperature Simulation of a Titan Evaporite Playa Using a Multi-Component Mixture of Organic Compounds

    NASA Astrophysics Data System (ADS)

    Malaska, M.; Radebaugh, J.; Barnes, J.; Mitchell, K.

    2012-03-01

    A multi-component mixture of organic compounds in heptanes was evaporated to simulate the formation of an evaporite playa on Titan. The deposition sequence of the analog materials and their implications for Titan geology will be presented.

  14. Hazardous and Corrosive Gas Production in the Radiolysis of Water/Organic Mixtures in Model TRU Waste

    SciTech Connect

    LaVerne, Jay A.

    2005-06-01

    Experiments in combination with diffusion-kinetic modeling incorporating track structure simulations are used to examine the radiation chemistry of aqueous systems containing chlorinated hydrocarbons. Irradiations with both Co-60 gamma rays and alpha particles are employed in order to simulate typical mixed radiation environments encountered in waste management. The goal is to determine fundamental mechanisms, kinetics, and yields for the formation of potentially explosive gases and corrosive agents, such as H2 and HCl, respectively, in the radiolysis of water-organic mixtures. The radiation chemical systems studied are found throughout the DOE portfolio and are important in radioactive waste remediation and management.

  15. Adsorption of chromate/organic-acid mixtures in aquifer materials. Technical progress report, 1 July 1990--30 June 1991

    SciTech Connect

    Fish, W.; Palmer, C.D.

    1991-07-15

    The overall objective of this project is to develop a fuller understanding of the interactions of mixtures of anionic co-contaminants with oxide-mineral surfaces. Our specific focus is on the competitive interactions of chromate and oxalic acid on ferric oxyhydroxide and on natural aquifer materials. Chromate and oxalate are of practical interest as widespread contaminants at many DOE facilities. However, these anions also are excellent model adsorbates for elucidating fundamental aspects of ionic adsorption processes, particularly with respect to organic acids.

  16. Evaporation-free inverted organic photovoltaics using a mixture of silver nanoparticle ink formulations for solution-processed top electrodes

    NASA Astrophysics Data System (ADS)

    Georgiou, Efthymios; Savva, Achilleas; Neophytou, Marios; Hermerschmidt, Felix; Demosthenous, Tasos; Choulis, Stelios A.

    2014-12-01

    We report an investigation of inkjet-printed silver (Ag) nanoparticle inks combined with a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) formulation for solution-processed top electrodes in inverted organic photovoltaics (OPVs) employing the poly(3-hexylthiopehene):phenyl-C61-butyric acid methyl ester material system. We propose a suitable mixture of Ag nanoparticle inks to control the printability and electrical conductivity of the solution-processed top electrode. Based on the proposed solution-processed hole-selective contact, a power conversion efficiency in the range of 3% is reported for evaporation-free inverted OPVs.

  17. Parameterization of thermal properties of aging secondary organic aerosol produced by photo-oxidation of selected terpene mixtures.

    PubMed

    Emanuelsson, Eva U; Mentel, Thomas F; Watne, Agot K; Spindler, Christian; Bohn, Birger; Brauers, Theo; Dorn, Hans-Peter; Hallquist, Asa M; Häseler, Rolf; Kiendler-Scharr, Astrid; Müller, Klaus-Peter; Pleijel, Håkan; Rohrer, Franz; Rubach, Florian; Schlosser, Eric; Tillmann, Ralf; Hallquist, Mattias

    2014-06-01

    Formation and evolution of secondary organic aerosols (SOA) from biogenic VOCs influences the Earth's radiative balance. We have examined the photo-oxidation and aging of boreal terpene mixtures in the SAPHIR simulation chamber. Changes in thermal properties and chemical composition, deduced from mass spectrometric measurements, were providing information on the aging of biogenic SOA produced under ambient solar conditions. Effects of precursor mixture, concentration, and photochemical oxidation levels (OH exposure) were evaluated. OH exposure was found to be the major driver in the long term photochemical transformations, i.e., reaction times of several hours up to days, of SOA and its thermal properties, whereas the initial concentrations and terpenoid mixtures had only minor influence. The volatility distributions were parametrized using a sigmoidal function to determine TVFR0.5 (the temperature yielding a 50% particle volume fraction remaining) and the steepness of the volatility distribution. TVFR0.5 increased by 0.3±0.1% (ca. 1 K), while the steepness increased by 0.9±0.3% per hour of 1×10(6) cm(-3) OH exposure. Thus, aging reduces volatility and increases homogeneity of the vapor pressure distribution, presumably because highly volatile fractions become increasingly susceptible to gas phase oxidation, while less volatile fractions are less reactive with gas phase OH. PMID:24810838

  18. Effects of defined mixtures of persistent organic pollutants (POPs) on multiple cellular responses in the human hepatocarcinoma cell line, HepG2, using high content analysis screening.

    PubMed

    Wilson, Jodie; Berntsen, Hanne Friis; Zimmer, Karin Elisabeth; Frizzell, Caroline; Verhaegen, Steven; Ropstad, Erik; Connolly, Lisa

    2016-03-01

    Persistent organic pollutants (POPs) are toxic substances, highly resistant to environmental degradation, which can bio-accumulate and have long-range atmospheric transport potential. Most studies focus on single compound effects, however as humans are exposed to several POPs simultaneously, investigating exposure effects of real life POP mixtures on human health is necessary. A defined mixture of POPs was used, where the compound concentration reflected its contribution to the levels seen in Scandinavian human serum (total mix). Several sub mixtures representing different classes of POPs were also constructed. The perfluorinated (PFC) mixture contained six perfluorinated compounds, brominated (Br) mixture contained seven brominated compounds, chlorinated (Cl) mixture contained polychlorinated biphenyls and also p,p'-dichlorodiphenyldichloroethylene, hexachlorobenzene, three chlordanes, three hexachlorocyclohexanes and dieldrin. Human hepatocarcinoma (HepG2) cells were used for 2h and 48h exposures to the seven mixtures and analysis on a CellInsight™ NXT High Content Screening platform. Multiple cytotoxic endpoints were investigated: cell number, nuclear intensity and area, mitochondrial mass and membrane potential (MMP) and reactive oxygen species (ROS). Both the Br and Cl mixtures induced ROS production but did not lead to apoptosis. The PFC mixture induced ROS production and likely induced cell apoptosis accompanied by the dissipation of MMP. Synergistic effects were evident for ROS induction when cells were exposed to the PFC+Br mixture in comparison to the effects of the individual mixtures. No significant effects were detected in the Br+Cl, PFC+Cl or total mixtures, which contain the same concentrations of chlorinated compounds as the Cl mixture plus additional compounds; highlighting the need for further exploration of POP mixtures in risk assessment. PMID:26772051

  19. Pesticide Toxicity Index: a tool for assessing potential toxicity of pesticide mixtures to freshwater aquatic organisms

    USGS Publications Warehouse

    Nowell, Lisa H.; Norman, Julia E.; Moran, Patrick W.; Martin, Jeffrey D.; Stone, Wesley W.

    2014-01-01

    Pesticide mixtures are common in streams with agricultural or urban influence in the watershed. The Pesticide Toxicity Index (PTI) is a screening tool to assess potential aquatic toxicity of complex pesticide mixtures by combining measures of pesticide exposure and acute toxicity in an additive toxic-unit model. The PTI is determined separately for fish, cladocerans, and benthic invertebrates. This study expands the number of pesticides and degradates included in previous editions of the PTI from 124 to 492 pesticides and degradates, and includes two types of PTI for use in different applications, depending on study objectives. The Median-PTI was calculated from median toxicity values for individual pesticides, so is robust to outliers and is appropriate for comparing relative potential toxicity among samples, sites, or pesticides. The Sensitive-PTI uses the 5th percentile of available toxicity values, so is a more sensitive screening-level indicator of potential toxicity. PTI predictions of toxicity in environmental samples were tested using data aggregated from published field studies that measured pesticide concentrations and toxicity to Ceriodaphnia dubia in ambient stream water. C. dubia survival was reduced to ≤ 50% of controls in 44% of samples with Median-PTI values of 0.1–1, and to 0% in 96% of samples with Median-PTI values > 1. The PTI is a relative, but quantitative, indicator of potential toxicity that can be used to evaluate relationships between pesticide exposure and biological condition.

  20. Renal and hepatotoxic alterations in adult mice on inhalation of specific mixture of organic solvents.

    PubMed

    Ketan, Vaghasia K; Bhavyata, Kalariya; Linzbuoy, George; Hyacinth, Highland N

    2015-12-01

    This study was aimed at investigating alterations in renal and hepatic toxicity induced by exposing to a combination of three solvents, namely, benzene, toluene and xylene in adult mice. The mice were divided into three groups (control, low-dose-treated (450 ppm) and high-dose (675 ppm) groups) using randomization methods. The treated groups were exposed to vapours of a mixture of benzene, toluene and xylene at doses of 450 and 675 ppm, for 6 h day(-1) for a short-term of 7-day exposure period. The study revealed that the solvent exposure resulted in an increase in the weight of liver and kidney as compared to the control. Biochemical analyses indicated a significant decline in the activities of superoxide dismutase and catalase in both the treated groups, with concomitant increase in lipid peroxidation. Liver aminotransferases (alanine aminotransferase and aspartate aminotransferase) were elevated with significant alterations in the levels of protein, creatinine and cholesterol in these tissues upon solvent exposure. Correlated with these changes, serum thyroid hormones T3 and T4 were also significantly altered. This study, therefore, demonstrates that inhalation of vapours from the solvent mixture resulted in significant dose-dependent biochemical and functional changes in the vital tissues (liver and kidney) studied. The study has specific relevance since humans are increasingly being exposed to such solvents due to increased industrial use in such combinations. PMID:23637306

  1. Do persistent organic pollutants interact with the stress response? Individual compounds, and their mixtures, interaction with the glucocorticoid receptor.

    PubMed

    Wilson, Jodie; Berntsen, Hanne Friis; Zimmer, Karin Elisabeth; Verhaegen, Steven; Frizzell, Caroline; Ropstad, Erik; Connolly, Lisa

    2016-01-22

    Persistent organic pollutants (POPs) are toxic substances, highly resistant to environmental degradation, which can bio-accumulate and have long-range atmospheric transport potential (UNEP, 2001). The majority of studies on endocrine disruption have focused on interferences on the sexual steroid hormones and so have overlooked disruption to glucocorticoid hormones. Here the endocrine disrupting potential of individual POPs and their mixtures has been investigated in vitro to identify any disruption to glucocorticoid nuclear receptor transcriptional activity. POP mixtures were screened for glucocorticoid receptor (GR) translocation using a GR redistribution assay (RA) on a CellInsight™ NXT high content screening (HCS) platform. A mammalian reporter gene assay (RGA) was then used to assess the individual POPs, and their mixtures, for effects on glucocorticoid nuclear receptor transactivation. POP mixtures did not induce GR translocation in the GR RA or produce an agonist response in the GR RGA. However, in the antagonist test, in the presence of cortisol, an individual POP, p,p'-dichlorodiphenyldichloroethylene (p,p'-DDE), was found to decrease glucocorticoid nuclear receptor transcriptional activity to 72.5% (in comparison to the positive cortisol control). Enhanced nuclear transcriptional activity, in the presence of cortisol, was evident for the two lowest concentrations of perfluorodecanoic acid (PFOS) potassium salt (0.0147mg/ml and 0.0294mg/ml), the two highest concentrations of perfluorodecanoic acid (PFDA) (0.0025mg/ml and 0.005mg/ml) and the highest concentration of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) (0.0000858mg/ml). It is important to gain a better understanding of how POPs can interact with GRs as the disruption of glucocorticoid action is thought to contribute to complex diseases. PMID:26599974

  2. NEUROTOXIC EFFECTS OF CONTROLLED EXPOSURE TO A COMPLEX MIXTURE OF VOLATILE ORGANIC COMPOUNDS

    EPA Science Inventory

    Subjective reactions of discomfort, impaired air quality, irritation of mucosal membranes, and impaired memory have been reported in chemically sensitive subjects during exposure to volatile organic compounds (VOC's) found in new buildings. 6 normal healthy male subjects aged 18-...

  3. EXPOSURE OF HUMANS TO A VOLATILE ORGANIC MIXTURE: I. BEHAVIORAL ASSESSMENT

    EPA Science Inventory

    Subjective reactions of discomfort, impaired air quality, irritation of mucosal membranes, and impaired memory have been reported to chemically sensitive subjects during exposure to volatile organic compounds (VOC's) found in new buildings. 6 normal healthy male subjects aged 18-...

  4. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOEpatents

    Pekala, R.W.

    1996-09-17

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes {<=}1,000{angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1,050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  5. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOEpatents

    Pekala, Richard W.

    1996-01-01

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes .ltoreq.1000.ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  6. Organic carbon aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOEpatents

    Pekala, Richard W.

    1998-04-28

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes .ltoreq.1000 .ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  7. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOEpatents

    Pekala, R.W.

    1995-12-19

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes{<=}1000{angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  8. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOEpatents

    Pekala, Richard W.

    1995-01-01

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes.ltoreq.1000.ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  9. Organic carbon aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOEpatents

    Pekala, R.W.

    1998-04-28

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes {<=}1000 {angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  10. Thermodynamic functions, freezing transition, and phase diagram of dense carbon-oxygen mixtures in white dwarfs

    SciTech Connect

    Iyetomi, H.; Ogata, S.; Ichimaru, S.

    1989-07-01

    Equations of state for dense carbon-oxygen (C-O) binary-ionic mixtures (BIM's) appropriate to the interiors of white dwarfs are investigated through Monte Carlo simulations, by solution of relevant integral equations andvariational calculations in the density-functional formalism. It is thereby shown that the internal energies of the C-O BIM solids and fluids both obey precisely the linear mixing formulas. We then present an accurate calculation of the phase diagram associated with freezing transitions in such BIM materials, resulting in a novel prediction of an azeotropic diagram. Discontinuities of the mass density across the azeotropic phase boundaries areevaluated numerically for application to a study of white-dwarf evolution.

  11. A Comparison of delO18 Composition of Water Extracted from Suction Lysimeters, Centrifugation, and Azeotropic Distillation

    NASA Astrophysics Data System (ADS)

    Figueroa, A.; Tindall, J. A.; Friedel, M. J.

    2005-12-01

    Concentration of delO18 in water samples extracted by suction lysimeters is compared to samples obtained by methods of centrifugation and azeotropic distillation. Intact soil cores (30 cm diameter by 40 cm height) were extracted from two different sites. Site 1 was rapid infiltration basin number 50, near Altamonte Springs in Seminole County, Florida on properties belonging to the Walt Disney World Resort Complex. Site 2 was the Missouri Management System Evaluation Area (MSEA) near Centralia in Boone County, Missouri. The delO18 water was analyzed on a mass spectrophotometer. Potassium Bromide (KBr) was also used as a tracer and analyzed by ion chromatography. A portion of the data obtained was modeled using CXTFIT. Water collected by centrifugation and azeotropic distillation data were about 2-5% more negative than that collected by suction lysimeter values from the Florida (sandy) soil and about 5-7 % more negative from the Missouri (well structured clay) soil. Results indicate that the majority of soil water in well structured soil is strongly bound to soil grain surfaces and is not easily sampled by suction lysimeters. Also, it is plausible that evaporation caused some delO18 enrichment in the suction lysimeters. Suction lysimeters preferentially sampled water held at lower matric potentials, which may not represent total soil water. In cases where a sufficient volume of water has passed through the soil profile and displaced all previous pore water, suction lysimeters will however collect a representative sample of all the water at that depth interval. It is suggested that for stable isotope studies monitoring precipitation and soil water, suction lysimeters be installed at shallow depths (10 cm). Samples should also be coordinated with precipitation events. The CXTFIT program worked well for Florida soils (a more homogeneous sand), but gave poor performance for Missouri soils (well structured clays) except for deeper depths where clay structure was less variable. The data also suggest that each extraction method samples a separate component of soil-pore water. Consequently, centrifugation can be used with good success, particularly for efficient sampling of large areas. Azeotropic distillation is more appropriate when strict qualitative and quantitative data for desorption, desorption, and various types of kinetic studies are needed.

  12. Validating the Equilibrium Stage Model for an Azeotropic System in a Laboratorial Distillation Column

    ERIC Educational Resources Information Center

    Duarte, B. P. M.; Coelho Pinheiro, M. N.; Silva, D. C. M.; Moura, M. J.

    2006-01-01

    The experiment described is an excellent opportunity to apply theoretical concepts of distillation, thermodynamics of mixtures and process simulation at laboratory scale, and simultaneously enhance the ability of students to operate, control and monitor complex units.

  13. A NEW MASS SPECTROMETRIC TECHNIQUE FOR IDENTIFYING TRACE-LEVEL ORGANIC COMPOUNDS IN COMPLEX MIXTURES

    EPA Science Inventory



    Most organic compounds are not found in mass spectral libraries and cannot be easily identified from low resolution mass spectra. Ion Composition Elucidation (ICE) utilizes selected ion recording with a double focusing mass spectrometer in a new way to determine exact mas...

  14. SOLUBILITY OF ORGANIC BIOCIDES IN SUPERCRITICAL CO2 AND CO2+ COSOLVENT MIXTURES

    EPA Science Inventory

    Solubilities of four organic biocides in supercritical carbon dioxide (Sc-CO2) were measured using a dynamic flowr apparatus over a pressure range of 10 to 30 MPa and temperature of 35-80 degrees C. The biocides studied were: Amical-48 (diiodomethyl p-tolyl sulfone), chlorothalo...

  15. KINETICS AND SELECTIVITY OF DEEP CATALYTIC OXIDATION OF VOLATILE ORGANIC COMPOUND MIXTURES

    EPA Science Inventory

    The paper gives results of a fundamental study of low-temperature deep (complete) oxidation of n-hexane, benzene, and ethyl-acetate over a 0.1% Pt, 3% Ni/gamma-AL203 catalyst. (NOTE: Deep catalytic combustion of volatile organic compounds--VOCs--is emerging as an important emissi...

  16. Nitric acid-organic mixtures surveyed for use in separation by anion exchange methods

    NASA Technical Reports Server (NTRS)

    Bloomquist, C. A. A.; Faris, J. P.; Stewart, D. C.

    1968-01-01

    Column elution-spectrographic analysis technique compares certain solvents directly to the methanol system, using inert rare earths instead of actinides. Distribution ratios for americium between 90 percent solvent, 10 percent 5 M nitric acid and Dowex 1 nitrate form resin for a large group of organics miscible in water was determined.

  17. Complex rhamnolipid mixture characterization and its influence on DPPC bilayer organization.

    PubMed

    Haba, E; Pinazo, A; Pons, R; Pérez, L; Manresa, A

    2014-03-01

    Rhamnolipids (RL) are one of the most important classes of biosurfactants produced by microorganisms using a wide range of carbon sources, from a simple carbon source like glucose to complex wastes such as the used cooking oils used in this work. The objective of this work was to learn about the rhamnolipid-phospholipid dipalmitoyl phosphatidyl choline (DPPC) molecular interactions through the behaviour observed in the neat products and four RL/DPPC mixtures. Size and z-potential were used to characterize the size and the charge of the vesicles, and small angle X-ray scattering (SAXS) was used to measure the vesicle bilayer characteristics, and the release of carboxyfluorescein to study the bilayer disrupting effect promoted by rhamnolipids. The results show that rhamnolipids are disposed in ordered bilayers with long repeating distances, which are stabilized by the charging of the bilayer and also by a strong fluidity of the bilayers. The ability of rhamnolipids to increase the fluidity of DPPC bilayers may be related with the strong haemolytic power of these molecules. PMID:24239913

  18. Thermodynamics of Multicomponent PAH Mixtures and Development of Tar-Like Behavior

    PubMed Central

    Rice, James W.; Fu, Jinxia; Suuberg, Eric M.

    2011-01-01

    This study explores the solid/liquid phase behavior of mixtures of polycyclic aromatic hydrocarbons (PAHs), exploring the transition from non-ideal solid mixtures to a relatively ideal liquid behavior characteristic of “tars”. PAH mixtures have been studied using differential scanning calorimetry, melting point analysis and Knudsen effusion. Mixtures of anthracene, pyrene and fluoranthene show behavior that is consistent with other binary PAH mixtures; that is, the initially solid mixture exhibits a significant melting point depression, relative to the pure components, and in a certain range of composition, solid azeotrope behavior on vaporization. As the number of distinct PAH species is increased (by adding in benzo[a]pyrene, phenanthrene, fluorene and chrysene) this behavior gradually gives way to liquid phase character at even room temperature, and the vaporization behavior approaches that crudely predictable from ideal mixture theory. PMID:21442010

  19. Testing secondary organic aerosol models using smog chamber data for complex precursor mixtures: influence of precursor volatility and molecular structure

    NASA Astrophysics Data System (ADS)

    Jathar, S. H.; Donahue, N. M.; Adams, P. J.; Robinson, A. L.

    2014-06-01

    We use secondary organic aerosol (SOA) production data from an ensemble of unburned fuels measured in a smog chamber to test various SOA formation models. The evaluation considered data from 11 different fuels including gasoline, multiple diesels, and various jet fuels. The fuels are complex mixtures of species; they span a wide range of volatility and molecular structure to provide a challenging test for the SOA models. We evaluated three different versions of the SOA model used in the Community Multiscale Air Quality (CMAQ) model. The simplest and most widely used version of that model only accounts for the volatile species (species with less than or equal to 12 carbons) in the fuels. It had very little skill in predicting the observed SOA formation (R2 = 0.04, fractional error = 108%). Incorporating all of the lower-volatility fuel species (species with more than 12 carbons) into the standard CMAQ SOA model did not improve model performance significantly. Both versions of the CMAQ SOA model over-predicted SOA formation from a synthetic jet fuel and under-predicted SOA formation from diesels because of an overly simplistic representation of the SOA formation from alkanes that did not account for the effects of molecular size and structure. An extended version of the CMAQ SOA model that accounted for all organics and the influence of molecular size and structure of alkanes reproduced the experimental data. This underscores the importance of accounting for all low-volatility organics and information on alkane molecular size and structure in SOA models. We also investigated fitting an SOA model based solely on the volatility of the precursor mixture to the experimental data. This model could describe the observed SOA formation with relatively few free parameters, demonstrating the importance of precursor volatility for SOA formation. The exceptions were exotic fuels such as synthetic jet fuel that expose the central assumption of the volatility-dependent model that most emissions consist of complex mixtures with similar distribution of molecular classes. Despite its shortcomings, SOA formation as a function of volatility may be sufficient for modeling SOA formation in chemical transport models.

  20. Evaluations of an Enhanced Total Hydrocarbon Analyzer With Complex Mixtures of Volatile Organic Compounds

    NASA Technical Reports Server (NTRS)

    Cross, John H.; Limero, Thomas F.; James, John T.; Breach, James; Hinton, Mark

    1995-01-01

    From the earliest manned missions, the volatile organic compound (VOC) content of spacecraft air has been a concern because of a much greater potential for contamination than air in most terrestrial settings. First, the volume of air is small compared to the mass of man- made materials comprising the interior furnishings of the spacecraft. These man-made materials offgas VOCs trapped during manufacture. Second, the nitrogen fraction of the air is recycled. Any VOCs not scrubbed out with charcoal filters or aqueous condensate (mainly water expired by the crew) will accumulate in the air. Third, the crew emits metabolic VOCs. Fourth, experimental payloads can also offgas or accidentally release a VOC; in fact a major organic constituent of the atmosphere is the disinfectant isopropanol released from swabs used in medical experiments.

  1. Uphill diffusion in multicomponent mixtures.

    PubMed

    Krishna, Rajamani

    2015-05-21

    Molecular diffusion is an omnipresent phenomena that is important in a wide variety of contexts in chemical, physical, and biological processes. In the majority of cases, the diffusion process can be adequately described by Fick's law that postulates a linear relationship between the flux of any species and its own concentration gradient. Most commonly, a component diffuses down the concentration gradient. The major objective of this review is to highlight a very wide variety of situations that cause the uphill transport of one constituent in the mixture. Uphill diffusion may occur in multicomponent mixtures in which the diffusion flux of any species is strongly coupled to that of its partner species. Such coupling effects often arise from strong thermodynamic non-idealities. For a quantitative description we need to use chemical potential gradients as driving forces. The transport of ionic species in aqueous solutions is coupled with its partner ions because of the electro-neutrality constraints; such constraints may accelerate or decelerate a specific ion. When uphill diffusion occurs, we observe transient overshoots during equilibration; the equilibration process follows serpentine trajectories in composition space. For mixtures of liquids, alloys, ceramics and glasses the serpentine trajectories could cause entry into meta-stable composition zones; such entry could result in phenomena such as spinodal decomposition, spontaneous emulsification, and the Ouzo effect. For distillation of multicomponent mixtures that form azeotropes, uphill diffusion may allow crossing of distillation boundaries that are normally forbidden. For mixture separations with microporous adsorbents, uphill diffusion can cause supra-equilibrium loadings to be achieved during transient uptake within crystals; this allows the possibility of over-riding adsorption equilibrium for achieving difficult separations. PMID:25761383

  2. Self-organization in cytoskeletal mixtures: from synthetic cilia to flowing networks

    NASA Astrophysics Data System (ADS)

    Sanchez, Tim

    2013-03-01

    Inspired by biological functions such as ciliary beating and cytoplasmic streaming, we have developed a highly tunable and robust model system from biological components that self-organizes to produce a broad range of far-from-equilibrium materials with remarkable emergent properties. Using only simple components - microtubules, kinesin motor clusters, and a depletion agent that bundles MTs - we reproduced several essential biological functions, including cilia-like beating, the emergence of metachronal waves in bundle arrays, and internally generated flows in active cytoskeletal gels. The occurrence of these biomimetic functions as self-organized processes provides unique insight into the mechanisms that drive these processes in biology. Beyond these biomimetic behaviors, we have also used the same components to engineer novel active materials which have no biological analogues: active streaming 2D nematics, and finally self-propelled emulsion droplets. These observations exemplify how assemblages of animate microscopic objects exhibit highly sought-after collective and biomimetic properties, challenging us to develop a theoretical framework that would allow for a systematic engineering of their far-from-equilibrium material properties.

  3. Subsurface interactions of actinide species and microorganisms : implications for the bioremediation of actinide-organic mixtures.

    SciTech Connect

    Banaszak, J.E.; Reed, D.T.; Rittmann, B.E.

    1999-02-12

    By reviewing how microorganisms interact with actinides in subsurface environments, we assess how bioremediation controls the fate of actinides. Actinides often are co-contaminants with strong organic chelators, chlorinated solvents, and fuel hydrocarbons. Bioremediation can immobilize the actinides, biodegrade the co-contaminants, or both. Actinides at the IV oxidation state are the least soluble, and microorganisms accelerate precipitation by altering the actinide's oxidation state or its speciation. We describe how microorganisms directly oxidize or reduce actinides and how microbiological reactions that biodegrade strong organic chelators, alter the pH, and consume or produce precipitating anions strongly affect actinide speciation and, therefore, mobility. We explain why inhibition caused by chemical or radiolytic toxicities uniquely affects microbial reactions. Due to the complex interactions of the microbiological and chemical phenomena, mathematical modeling is an essential tool for research on and application of bioremediation involving co-contamination with actinides. We describe the development of mathematical models that link microbiological and geochemical reactions. Throughout, we identify the key research needs.

  4. Adsorption of aqueous organic mixtures on a chiral stationary phase with bound antibiotic eremomycin.

    PubMed

    Nikitina, Yuliya K; Ali, Imran; Asnin, Leonid D

    2014-10-10

    The adsorption of two typical hydro-organic mobile phases, with methanol and acetonitrile as the organic component, on an antibiotic based chiral stationary phase (CSP) Nautilus-E was studied by the minor perturbation method. In both cases, the excess adsorption of water was positive over a wide range of concentrations from 0 to ∼75 or 90 mol% for MeOH or MeCN containing mobile phases, respectively. Such hydrophilic properties of the CSP were attributed to multiple polar functional groups of the chiral ligand and to the residual silanol groups of the silica support. The adsorbed phase was found to be thinner for H₂O-MeOH (∼1.1Å) and thicker for H₂O-MeCN (∼9.4Å). The measurements of the column hold-up volume by different methods allowed us to suggest a model of the adsorbed phase consisting of the volume between bound chiral selectors inaccessible to large size molecules and of the stagnant layer of the mobile phase adsorbed on the external surface of the chiral selectors. PMID:25182859

  5. Exergoeconomic analysis and optimization of an evaporator for a binary mixture of fluids in an organic Rankine cycle

    NASA Astrophysics Data System (ADS)

    Li, You-Rong; Du, Mei-Tang; Wang, Jian-Ning

    2012-12-01

    This paper focuses on the research of an evaporator with a binary mixture of organic working fluids in the organic Rankine cycle. Exergoeconomic analysis and performance optimization were performed based on the first and second laws of thermodynamics, and the exergoeconomic theory. The annual total cost per unit heat transfer rate was introduced as the objective function. In this model, the exergy loss cost caused by the heat transfer irreversibility and the capital cost were taken into account; however, the exergy loss due to the frictional pressure drops, heat dissipation to surroundings, and the flow imbalance were neglected. The variation laws of the annual total cost with respect to the number of transfer units and the temperature ratios were presented. Optimal design parameters that minimize the objective function had been obtained, and the effects of some important dimensionless parameters on the optimal performances had also been discussed for three types of evaporator flow arrangements. In addition, optimal design parameters of evaporators were compared with those of condensers.

  6. Schiff base ligands and their transition metal complexes in the mixtures of ionic liquid + organic solvent: a thermodynamic study.

    PubMed

    Shekaari, Hemayat; Kazempour, Amir; Khoshalhan, Maryam

    2015-01-21

    Schiff bases and their metal complexes in the mixtures of ionic liquid (IL) + organic solvent have shown great potential in attractive oxidation catalytic processes. The efficiency of such a process is strongly dependent on the various molecular interactions occurring between components. Thermodynamic properties of these systems can provide valuable information about structural interactions. Therefore, in this work, the interactions of the IL 1-hexyl-3-methylimidazolium chloride ([HMIm]Cl) with Schiff bases in organic solvents were studied through the measurements of density, viscosity, and electrical conductivity. The effect of solvent on the interactions was examined by the solutions of IL + BPIC Schiff base + solvent (C2H6O-C3H8O-C4H10O). Moreover, the influence of Schiff base ligand and Schiff base complex structures was probed by the solutions of IL + DMA + ligand (salcn/salpr/salen) and IL + DMA + complex (VO(3-OMe-salen)/VO(salophen)/VO(salen)), respectively. Using the experimental data, some important thermodynamic properties, such as standard partial molar volume (V(0)(φ,IL)), experimental slope (Sv), viscosity B-coefficient, solvation number (B/V(0)(φ,IL) and limiting molar conductivity (Λ0) were calculated and discussed in terms of solute-solvent (IL-DMF/alcohol) and solute-cosolute (IL-Schiff base) interactions. PMID:25482659

  7. In vitro steroidogenic effects of mixtures of persistent organic pollutants (POPs) extracted from burbot (Lota lota) caught in two Norwegian lakes.

    PubMed

    Zimmer, Karin E; Montaño, Mauricio; Olsaker, Ingrid; Dahl, Ellen; Berg, Vidar; Karlsson, Camilla; Murk, Albertinka J; Skaare, Janneche U; Ropstad, Erik; Verhaegen, Steven

    2011-05-01

    This study investigated the effects of two mixtures of persistent organic pollutants (POPs) on steroidogenesis in the H295R cell line. The two mixtures were obtained from the livers of burbot (Lota lota) caught in two Norwegian lakes (Mjøsa and Losna) with different contaminant profiles. Steroid hormone levels in the cell culture medium and mRNA levels of 16 genes involved in steroidogenesis were investigated. The crude Lake Mjøsa extract had to be diluted ten times more than the Lake Losna extract in order to prevent cytotoxicity. The ten times diluted Lake Mjøsa mixture had higher levels of DDT and derivates (∑DDTs, 1.7 times) and brominated flame retardants (∑BDEs and HBCD, 15-25 times) than the Lake Losna mixture, which, on the other hand, had higher concentrations of ∑PCBs (1.5 times higher) and also of HCB, ∑HCH isomers and ∑chlordane isomers (5-20 times higher). In the cell culture media, only cortisol levels were increased at the highest exposure concentration to the Lake Mjøsa mixture, while both cortisol and estradiol levels were increased following exposure to the two highest Lake Losna mixture exposure concentrations. Testosterone levels decreased only at the highest exposure concentration of the Lake Losna mixture. Multivariate models suggested that ∑PCBs, and to a lesser extent ∑DDTs, were responsible for the cortisol responses, while estradiol and testosterone alterations were best explained by HCB and ∑PCBs, respectively. Exposure to the mixtures generally increased mRNA levels, with smaller effects exerted by the Lake Mjøsa mixture than the Lake Losna mixture. It was concluded that both mixtures affected steroidogenesis in the H295R cells. Small differences in mixture composition, rather than the high content of brominated flame retardants in the Lake Mjøsa mixture, were suggested to be the most probable reason for the apparent differences in potencies of the two mixtures. PMID:21420147

  8. Accumulation and effects of natural mixtures of persistent organic pollutants (POP) in Zebrafish after two generations of exposure.

    TOXLINE Toxicology Bibliographic Information

    Berg V; Lyche JL; Karlsson C; Stavik B; Nourizadeh-Lillabadi R; Hårdnes N; Skaare JU; Alestrøm P; Lie E; Ropstad E

    2011-01-01

    Effects of exposure to environmentally realistic mixtures of persistent organic pollutants (POP) harvested from aquatic ecosystems in Norway were studied in an in vivo zebrafish model. POP were extracted from burbot (Lota lota) liver from two separate lakes, Lake Losna and Lake Mjøsa, and exposed to zebrafish through the diet in a two-generation study. Effects on survival, growth, sex ratio, and timing of puberty were investigated. In addition, the biomarkers 7-ethoxyresorufin O-deethylase (EROD) and vitellogenin (Vtg) were measured. The ratios of contaminant levels in extracts collected from Lake Mjøsa:Lake Losna were 6, 10, and 270 for polychlorinated biphenyls (PCB), dichlorodiphenyltrichloroethanes (DDT), and polybrominated diphenyl ethers (PBDE), respectively. The concentration range of POP measured in zebrafish was lower than in burbot originating from Lake Mjøsa, but comparable to concentrations previously reported in humans and wildlife. The results showed that exposure to environmentally realistic mixtures of POP exerted a negative effect on survival of fish in both generations. The marked drop in survival during 9-20 days post fertilization (dpf) suggested that this period may be a critical window for development. In both generations an earlier onset of puberty was observed and a higher proportion of males than females was noted in exposed fish compared to controls. Suprising effects of exposure were found on body weight. In the first generation (F(0)), body weight was significantly higher in both exposure groups compared to controls, while in the next generation (F(1)) the same exposures were associated with a decrease in body weight. Zebrafish exposed to relatively low quantities of POP showed a significant induction of biomarkers (EROD and Vtg), while fish exposed to higher exposure doses did not demonstrate induction.

  9. Accumulation and effects of natural mixtures of persistent organic pollutants (POP) in Zebrafish after two generations of exposure.

    PubMed

    Berg, Vidar; Lyche, Jan L; Karlsson, Camilla; Stavik, Benedicte; Nourizadeh-Lillabadi, Rasoul; Hårdnes, Nina; Skaare, Janneche Utne; Alestrøm, Peter; Lie, Elisabeth; Ropstad, Erik

    2011-01-01

    Effects of exposure to environmentally realistic mixtures of persistent organic pollutants (POP) harvested from aquatic ecosystems in Norway were studied in an in vivo zebrafish model. POP were extracted from burbot (Lota lota) liver from two separate lakes, Lake Losna and Lake Mjøsa, and exposed to zebrafish through the diet in a two-generation study. Effects on survival, growth, sex ratio, and timing of puberty were investigated. In addition, the biomarkers 7-ethoxyresorufin O-deethylase (EROD) and vitellogenin (Vtg) were measured. The ratios of contaminant levels in extracts collected from Lake Mjøsa:Lake Losna were 6, 10, and 270 for polychlorinated biphenyls (PCB), dichlorodiphenyltrichloroethanes (DDT), and polybrominated diphenyl ethers (PBDE), respectively. The concentration range of POP measured in zebrafish was lower than in burbot originating from Lake Mjøsa, but comparable to concentrations previously reported in humans and wildlife. The results showed that exposure to environmentally realistic mixtures of POP exerted a negative effect on survival of fish in both generations. The marked drop in survival during 9-20 days post fertilization (dpf) suggested that this period may be a critical window for development. In both generations an earlier onset of puberty was observed and a higher proportion of males than females was noted in exposed fish compared to controls. Suprising effects of exposure were found on body weight. In the first generation (F(0)), body weight was significantly higher in both exposure groups compared to controls, while in the next generation (F(1)) the same exposures were associated with a decrease in body weight. Zebrafish exposed to relatively low quantities of POP showed a significant induction of biomarkers (EROD and Vtg), while fish exposed to higher exposure doses did not demonstrate induction. PMID:21391088

  10. The Challenge of Peat Substitution in Organic Seedling Production: Optimization of Growing Media Formulation through Mixture Design and Response Surface Analysis.

    PubMed

    Ceglie, Francesco Giovanni; Bustamante, Maria Angeles; Ben Amara, Mouna; Tittarelli, Fabio

    2015-01-01

    Peat replacement is an increasing demand in containerized and transplant production, due to the environmental constraints associated to peat use. However, despite the wide information concerning the use of alternative materials as substrates, it is very complex to establish the best materials and mixtures. This work evaluates the use of mixture design and surface response methodology in a peat substitution experiment using two alternative materials (green compost and palm fibre trunk waste) for transplant production of tomato (Lycopersicon esculentum Mill.); melon, (Cucumis melo L.); and lettuce (Lactuca sativa L.) in organic farming conditions. In general, the substrates showed suitable properties for their use in seedling production, showing the best plant response the mixture of 20% green compost, 39% palm fibre and 31% peat. The mixture design and applied response surface methodology has shown to be an useful approach to optimize substrate formulations in peat substitution experiments to standardize plant responses. PMID:26070163

  11. The Challenge of Peat Substitution in Organic Seedling Production: Optimization of Growing Media Formulation through Mixture Design and Response Surface Analysis

    PubMed Central

    Ceglie, Francesco Giovanni; Bustamante, Maria Angeles; Ben Amara, Mouna; Tittarelli, Fabio

    2015-01-01

    Peat replacement is an increasing demand in containerized and transplant production, due to the environmental constraints associated to peat use. However, despite the wide information concerning the use of alternative materials as substrates, it is very complex to establish the best materials and mixtures. This work evaluates the use of mixture design and surface response methodology in a peat substitution experiment using two alternative materials (green compost and palm fibre trunk waste) for transplant production of tomato (Lycopersicon esculentum Mill.); melon, (Cucumis melo L.); and lettuce (Lactuca sativa L.) in organic farming conditions. In general, the substrates showed suitable properties for their use in seedling production, showing the best plant response the mixture of 20% green compost, 39% palm fibre and 31% peat. The mixture design and applied response surface methodology has shown to be an useful approach to optimize substrate formulations in peat substitution experiments to standardize plant responses. PMID:26070163

  12. A chromatographic method to analyze products from photo-oxidation of anthropogenic and biogenic mixtures of volatile organic compounds in smog chambers.

    PubMed

    Pindado Jiménez, Oscar; Pérez Pastor, Rosa M; Vivanco, Marta G; Santiago Aladro, Manuel

    2013-03-15

    A method for quantifying secondary organic aerosol compounds (SOA) and water soluble secondary organic aerosol compounds (WSOA) produced from photo-oxidation of complex mixtures of volatile organic compounds (VOCs) in smog chambers by gas chromatography/mass spectrometry (GC/MS) has been developed. This method employs a double extraction with water and methanol jointly to a double derivatization with N,O-bis (trimethylsilil) trifluoroacetamide (BSTFA) and O-(2,3,4,5,6)-pentafluorobenzyl-hydroxylamine hydrochloride (PFBHA) followed by an analysis performed by GC/MS. The analytical procedure complements other methodologies because it can analyze SOA and WSOA compounds simultaneously at trace levels. As application, the methodology was employed to quantify the organic composition of aerosols formed in a smog chamber as a result of photo-oxidation of two different mixtures of volatile organic compounds: an anthropogenic mixture and a biogenic mixture. The analytical method allowed us to quantify up to 17 SOA compounds at levels higher than 20 ng m(-3) with reasonable recovery and a precision below 11%. Values found for applicability, selectivity, linearity, precision, recovery, detection limit, quantification limit and sensitivity demonstrated that the methodology can be satisfactorily applied to quantify SOA and WSOA. PMID:23598091

  13. Evaluation of the COSHH Essentials Model with a Mixture of Organic Chemicals at a Medium-Sized Paint Producer

    PubMed Central

    Lee, Eun Gyung; Slaven, James; Bowen, Russell B.; Harper, Martin

    2011-01-01

    The Control of Substances Hazardous to Health (COSHH) Essentials model was evaluated using full-shift exposure measurements of five chemical components in a mixture [acetone, ethylbenzene, methyl ethyl ketone, toluene, and xylenes] at a medium-sized plant producing paint materials. Two tasks, batch-making and bucket-washing, were examined. Varying levels of control were already established in both tasks and the average exposures of individual chemicals were considerably lower than the regulatory and advisory 8-h standards. The average exposure fractions using the additive mixture formula were also less than unity (batch-making: 0.25, bucket-washing: 0.56) indicating the mixture of chemicals did not exceed the combined occupational exposure limit (OEL). The paper version of the COSHH Essentials model was used to calculate a predicted exposure range (PER) for each chemical according to different levels of control. The estimated PERs of the tested chemicals for both tasks did not show consistent agreement with exposure measurements when the comparison was made for each control method and this is believed to be because of the considerably different volatilities of the chemicals. Given the combination of health hazard and exposure potential components, the COSHH Essentials model recommended a control approach ‘special advice’ for both tasks, based on the potential reproductive hazard ascribed to toluene. This would not have been the same conclusion if some other chemical had been substituted (for example styrene, which has the same threshold limit value as toluene). Nevertheless, it was special advice, which had led to the combination of hygienic procedures in place at this plant. The probability of the combined exposure fractions exceeding unity was 0.0002 for the batch-making task indicating that the employees performing this task were most likely well protected below the OELs. Although the employees involved in the bucket-washing task had greater potential to exceed the threshold limit value of the mixture (P > 1 = 0.2375), the expected personal exposure after adjusting for the assigned protection factor for the respirators in use would be considerably lower (P > 1 = 0.0161). Thus, our findings suggested that the COSHH essentials model worked reasonably well for the volatile organic chemicals at the plant. However, it was difficult to override the reproductive hazard even though it was meant to be possible in principle. Further, it became apparent that an input of existing controls, which is not possible in the web-based model, may have allowed the model be more widely applicable. The experience of using the web-based COSHH Essentials model generated some suggestions to provide a more user-friendly tool to the model users who do not have expertise in occupational hygiene. PMID:21047985

  14. Response of portable VOC (volatile organic compounds) analyzers to chemical mixtures. Final report Dec 80-May 81

    SciTech Connect

    DuBose, D.A.; Brown, G.E.; Harris, G.E.

    1981-06-01

    The report gives the responses of two types of portable VOC analyzers (Century Systems OVA-108 and Bacharach TLV Sniffer), calibrated with methane and used to measure a variety of chemical vapor mixtures. Instrument response data for both binary and ternary mixtures of selected chemicals are presented. Various empirical models were evaluated to determine an appropriate method of estimating mixture concentration based on instrument response. The evaluation concluded that the instrument response for a mixture falls between the responses expected for the pure compounds in the mixture. Thus, an interpolation or weighted average model can be used to predict the response for mixtures based on known responses for individual chemicals. Both linear and logarithmic weighted average models are applied to the data and presented with estimates of accuracy. In general, these models predicted the instrument response to within 30% of the observed value.

  15. Formation of Secondary Organic Aerosol from Irradiated a-Pinene/Tolueme/NOx Mixtures and the Effect of Isoprene and Sulfur Dioxide

    EPA Science Inventory

    Secondary organic aerosol (SOA) was generated by irradiating a series of a-pinene/toluene/NOx mixtures in the absence and presence of isoprene or sulfur dioxide. The purpose of the experiment was to evaluate the extent to which chemical perturbations to this base-case (a-pinene/...

  16. Self-Organization in Active Cytoskeletal Mixtures: Cilia-like Beating of Microtubule Bundles and Spontaneous Bulk Mixing

    NASA Astrophysics Data System (ADS)

    Sanchez, Tim

    This thesis discusses circularization and supercoiling of actin biofilaments, as well as the various examples of self-organization observed in a simple non-equilibrium system of microtubules, motor clusters, and a depletion agent (PEG). When the ends of an actin filament approach each other, annealing can occur, resulting in the assumption of a circular conformation. In order to facilitate this experimentally, we dramatically reduce the space available for the ends to explore by confining the filaments to a quasi-2D region. This is accomplished through the use of a depletion attraction. In addition to the pronounced effects of this topological ring constraint on the statistical fluctuations of the filaments, we also observe a spontaneous supercoiling transition in fluorescently labeled actin rings that is directly driven by illumination. To better understand this transition in natural twist, we investigate real-time twist of a filament trapped between two beads, held by optical traps. The main focus of this graduate work was on the behavior of non-equilibrium in vitro mixtures of microtubules, kinesin motor clusters, and a depletion agent. We observed several striking and distinct examples of self-organization on near-macroscopic length scales, due to the interactions of very simple components. First we investigate the driving mechanism behind the beating of biological cilia and flagella, and find that this beating functionality can be reproduced in our vastly simpler system. This occurs only when minimalist components are reconstituted: motors, biofilaments, elastic links to hold the filaments together, and a basal attachment. Beyond the cooperativity of the motors to produce oscillatory beating in individual bundles, we also observe that active bundles in close proximity can synchronize their beating to produce stable, periodic metachronal waves that propagate along the bundle array. By changing only the length distribution of the microtubules in our system, we find that basal attachments at the chamber edge no longer form. Rather, bundles become unstable and interact in bulk by merging, extending, buckling, breaking, and recombining. These interactions lead to the emergence of a steady-state bulk mixing process that causes the super-diffusive transport of tracer particles and enhanced mixing of fluid. This mixing bears some resemblance to other mixing processes, including the biological example of cytoplasmic streaming. Finally, we show that a qualitatively new example of self-organization occurs when these active mixtures are put into water droplets in oil-water emulsions. The MT bundles migrate to the oil-water interface, forming a 2D active nematic. This active nematic exhibits a host of emergent properties, including the unbinding of +1/2 and -1/2 nematic defects from each other. The internal stresses of these active nematics also cause droplets to be self-propelled, leading to the possibility of studying a system of spherical swimmers, where new examples of self-organized behavior may occur.

  17. Quantitative structure-activity relationships and mixture toxicity of organic chemicals in Photobacterium phosphoreum: the Microtox test

    SciTech Connect

    Hermens, J.; Busser, F.; Leeuwangh, P.; Musch, A.

    1985-02-01

    Quantitative structure-activity relationships were calculated for the inhibition of bioluminescence of Photobacterium phosphoreum by 22 nonreactive organic chemicals. The inhibition was measured using the Microtox test and correlated with the partition coefficient between n-octanol and water (Poct), molar refractivity (MR), and molar volume (MW/d). At log Poct less than 1 and greater than 3, deviations from linearity were observed. Introduction of MR and MW/d improved the quality of the relationships. The influences of MR or MW/d may be related with an interaction of the tested chemicals to the enzyme system which produces the light emission. The sensitivity of the Microtox test to the 22 tested compounds is comparable to a 14-day acute mortality test with guppies for chemicals with log Poct less than 4. The inhibition of bioluminescence by a mixture of the tested compounds was slightly less than was expected in case of concentration addition. The Microtox test can give a good estimate of the total aspecific minimum toxicity of polluted waters. When rather lipophilic compounds or pollutants with more specific modes of action are present, this test will underestimate the toxicity to other aquatic life.

  18. Effects of mixtures of persistent organic pollutants (POPs) derived from cod liver oil on H295R steroidogenesis.

    PubMed

    Montaño, M; Zimmer, K E; Dahl, E; Berg, V; Olsaker, I; Skaare, J U; Murk, A J; Ropstad, E; Verhaegen, S

    2011-09-01

    Crude cod liver oil and liver oil supplements are consumed as a source of vitamin A, D and polyunsaturated fatty acids; during winter and early pregnancy. Crude cod liver oil however constitutes a considerable source of persistent organic pollutants (POPs). This paper aimed at characterizing and quantifying the influence of POP mixtures extracted from three different steps in the cod liver oil industrial process on hormone production and the expression of steroidogenesis-related genes in H295R cells. Exposure to extracts from crude cod liver oil and from its industrial waste increased progesterone (P4), cortisol (Cort), testosterone (T) and estradiol (E2) production; and among others, the expression of MC2R, CYP11B1 and HSD3B2 genes. Observed effects after exposure to pharmaceutical cod liver oil extract were considerably lower. The type of effects on gene expression and hormone production were similar to those induced by forskolin and PCBs, the latter being the major contaminants within the extracts. Additional research is required to further unveil the mechanisms behind the observed steroidogenic effects and to assess whether the potential risk might outweigh the potential benefits of crude and processed cod liver oil consumption. PMID:21722693

  19. Efficiency of methods for Karl Fischer determination of water in oils based on oven evaporation and azeotropic distillation.

    PubMed

    Larsson, William; Jalbert, Jocelyn; Gilbert, Roland; Cedergren, Anders

    2003-03-15

    The efficiency of azeotropic distillation and oven evaporation techniques for trace determination of water in oils has recently been questioned by the National Institute of Standards and Technology (NIST), on the basis of measurements of the residual water found after the extraction step. The results were obtained by volumetric Karl Fischer (KF) titration in a medium containing a large excess of chloroform (> or = 65%), a proposed prerequisite to ensure complete release of water from the oil matrix. In this work, the extent of this residual water was studied by means of a direct zero-current potentiometric technique using a KF medium containing more than 80% chloroform, which is well above the concentration recommended by NIST. A procedure is described that makes it possible to correct the results for dilution errors as well as for chemical interference effects caused by the oil matrix. The corrected values were found to be in the range of 0.6-1.5 ppm, which should be compared with the 12-34 ppm (uncorrected values) reported by NIST for the same oils. From this, it is concluded that the volumetric KF method used by NIST gives results that are much too high. PMID:12659179

  20. Chronic toxicity of an environmentally relevant mixture of pharmaceuticals to three aquatic organisms (alga, daphnid, and fish).

    PubMed

    Watanabe, Haruna; Tamura, Ikumi; Abe, Ryoko; Takanobu, Hitomi; Nakamura, Ataru; Suzuki, Toshinari; Hirose, Akihiko; Nishimura, Tetsuji; Tatarazako, Norihisa

    2016-04-01

    Principles of concentration addition and independent action have been used as effective tools to predict mixture toxicity based on individual component toxicity. The authors investigated the toxicity of a pharmaceutical mixture composed of the top 10 detected active pharmaceutical ingredients (APIs) in the Tama River (Tokyo, Japan) in a relevant concentration ratio. Both individual and mixture toxicities of the 10 APIs were evaluated by 3 short-term chronic toxicity tests using the alga Pseudokirchneriella subcapitata, the daphnid Ceriodaphnia dubia, and the zebrafish Danio rerio. With the exception of clarithromycin toxicity to alga, the no-observed-effect concentration of individual APIs for each test species was dramatically higher than the highest concentration of APIs found in the environment. The mixture of 10 APIs resulted in toxicity to alga, daphnid, and fish at 6.25 times, 100 times, and 15 000 times higher concentrations, respectively, than the environmental concentrations of individual APIs. Predictions by concentration addition and independent action were nearly identical for alga, as clarithromycin was the predominant toxicant in the mixture. Both predictions described the observed mixture toxicity to alga fairly well, whereas they slightly underestimated the observed mixture toxicity in the daphnid test. In the fish embryo test, the observed toxicity fell between the predicted toxicity by concentration addition and independent action. These results suggested that the toxicity of environmentally relevant pharmaceutical mixtures could be predicted by individual toxicity using either concentration addition or independent action. Environ Toxicol Chem 2016;35:996-1006. © 2015 SETAC. PMID:26472177

  1. The structural organization of N-methyl-2-pyrrolidone + water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study

    SciTech Connect

    Usula, M.; Marincola, F. Cesare; Porcedda, S.; Mocci, F.; Gontrani, L.; Caminiti, R.

    2014-03-28

    A combined approach of molecular dynamics simulations, wide angle X-ray scattering experiments, and density measurements was employed to study the structural properties of N-methyl-2-pyrrolidone (NMP) + water mixtures over the whole concentration range. Remarkably, a very good agreement between computed and experimental densities and diffraction patterns was achieved, especially if the effect of the mixture composition on NMP charges is taken into account. Analysis of the intermolecular organization, as revealed by the radial and spatial distribution functions of relevant solvent atoms, nicely explained the density maximum observed experimentally.

  2. Densities and vapor-liquid equilibria in binary mixtures formed by propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol at 160.0 kPa

    SciTech Connect

    Falcon, J.; Ortega, J.; Gonzalez, E.

    1996-07-01

    Densities and excess volumes were determined at 298.15 K for propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol. The results of those quantities were then correlated to get the concentrations of vapor-liquid equilibrium obtained isobarically at 160 kPa for the same mixtures. Two mixtures show azeotropes: for propyl methanoate (1) + ethanol (2), x{sub 1} = 0.443 at T = 358.7 K; and for propyl methanoate (1) + propan-1-ol (2), x{sub 1} = 0.762 at T = 368.2 K. The mixtures are thermodynamically consistent, and the predictions made using several group-contribution models are satisfactory.

  3. Theoretical analysis for condensation heat transfer of binary refrigerant mixtures with annular flow in horizontal mini-tubes

    NASA Astrophysics Data System (ADS)

    Zhang, Hui-Yong; Li, Jun-Ming; Sun, Ji-Liang; Wang, Bu-Xuan

    2016-01-01

    A theoretical model is developed for condensation heat transfer of binary refrigerant mixtures in mini-tubes with diameter about 1.0 mm. Condensation heat transfer of R410A and R32/R134a mixtures at different mass fluxes and saturated temperatures are analyzed, assuming that the phase flow pattern is annular flow. The results indicate that there exists a maximum interface temperature at the beginning of condensation process for azeotropic and zeotropic mixtures and the corresponding vapor quality to the maximum value increases with mass flux. The effects of mass flux, heat flux, surface tension and tube diameter are analyzed. As expected, the condensation heat transfer coefficients increase with mass flux and vapor quality, and increase faster in high vapor quality region. It is found that the effects of heat flux and surface tension are not so obvious as that of tube diameter. The characteristics of condensation heat transfer of zeotropic mixtures are consistent to those of azeotropic refrigerant mixtures. The condensation heat transfer coefficients increase with the concentration of the less volatile component in binary mixtures.

  4. Factors associated with sources, transport, and fate of volatile organic compounds and their mixtures in aquifers of the United States

    USGS Publications Warehouse

    Squillace, P.J.; Moran, M.J.

    2007-01-01

    Factors associated with sources, transport, and fate of volatile organic compounds (VOCs) in groundwater from aquifers throughout the United States were evaluated using statistical methods. Samples were collected from 1631 wells throughout the conterminous United States between 1996 and 2002 as part of the National Water-Quality Assessment (NAWQA) Program of the U.S. Geological Survey. Water samples from wells completed in aquifers used to supply drinking water were analyzed for more than 50 VOCs. Wells were primarily rural domestic water supplies (1184), followed by public water supplies (216); the remaining wells (231) supplied a variety of uses. The median well depth was 50 meters. Age-date information shows that about 60% of the samples had a fraction of water recharged after 1953. Chloroform, toluene, 1,2,4-trimethylbenzene, and perchloroethene were some of the frequently detected VOCs. Concentrations generally were less than 1 ??g/L. Source factors include, in order of importance, general land-use activity, septic/sewer density, and sites where large concentrations of VOCs are potentially released, such as leaking underground storage tanks. About 10% of all samples had VOC mixtures that were associated with concentrated sources; 20% were associated with dispersed sources. Important transport factors included well/screen depth, precipitation/groundwater recharge, air temperature, and various soil characteristics. Dissolved oxygen was strongly associated with VOCs and represents the fate of many VOCs in groundwater. Well type (domestic or public water supply) was also an important explanatory factor. Results of multiple analyses show the importance of (1) accounting for both dispersed and concentrated sources of VOCs, (2) measuring dissolved oxygen when sampling wells to help explain the fate of VOCs, and (3) limiting the type of wells sampled in monitoring networks to avoid unnecessary variance in the data, or controlling for this variance during data analysis.

  5. CONTRIBUTIONS OF TOLUENE AND Α -PINENE TO SOA FORMED IN AN IRRADIATED TOLUENE/Α-PINENE/NOX/AIR MIXTURE: COMPARISON OF RESULTS USING 14C CONTENT AND SOA ORGANIC TRACER METHODS

    EPA Science Inventory

    An organic tracer method, recently proposed for estimating individual contributions of toluene and α-pinene to secondary organic aerosol (SOA) formation, was evaluated by conducting a laboratory study where a binary hydrocarbon mixture, containing the anthropogenic aromatic hydro...

  6. Influence of Seeding Ratio, Planting Date, and Termination Date on Rye-Hairy Vetch Cover Crop Mixture Performance under Organic Management

    PubMed Central

    Lawson, Andrew; Cogger, Craig; Bary, Andy; Fortuna, Ann-Marie

    2015-01-01

    Cover crop benefits include nitrogen accumulation and retention, weed suppression, organic matter maintenance, and reduced erosion. Organic farmers need region-specific information on winter cover crop performance to effectively integrate cover crops into their crop rotations. Our research objective was to compare cover crop seeding mixtures, planting dates, and termination dates on performance of rye (Secale cereale L.) and hairy vetch (Vicia villosa Roth) monocultures and mixtures in the maritime Pacific Northwest USA. The study included four seed mixtures (100% hairy vetch, 25% rye-75% hairy vetch, 50% rye-50% hairy vetch, and 100% rye by seed weight), two planting dates, and two termination dates, using a split-split plot design with four replications over six years. Measurements included winter ground cover; stand composition; cover crop biomass, N concentration, and N uptake; and June soil NO3--N. Rye planted in mid-September and terminated in late April averaged 5.1 Mg ha-1 biomass, whereas mixtures averaged 4.1 Mg ha-1 and hairy vetch 2.3 Mg ha-1. Delaying planting by 2.5 weeks reduced average winter ground cover by 65%, biomass by 50%, and cover crop N accumulation by 40%. Similar reductions in biomass and N accumulation occurred for late March termination, compared with late April termination. Mixtures had less annual biomass variability than rye. Mixtures accumulated 103 kg ha-1 N and had mean C:N ratio <17:1 when planted in mid-September and terminated in late April. June soil NO3--N (0 to 30 cm depth) averaged 62 kg ha-1 for rye, 97 kg ha-1 for the mixtures, and 119 kg ha-1 for hairy vetch. Weeds comprised less of the mixtures biomass (20% weeds by weight at termination) compared with the monocultures (29%). Cover crop mixtures provided a balance between biomass accumulation and N concentration, more consistent biomass over the six-year study, and were more effective at reducing winter weeds compared with monocultures. PMID:26080008

  7. Influence of Seeding Ratio, Planting Date, and Termination Date on Rye-Hairy Vetch Cover Crop Mixture Performance under Organic Management.

    PubMed

    Lawson, Andrew; Cogger, Craig; Bary, Andy; Fortuna, Ann-Marie

    2015-01-01

    Cover crop benefits include nitrogen accumulation and retention, weed suppression, organic matter maintenance, and reduced erosion. Organic farmers need region-specific information on winter cover crop performance to effectively integrate cover crops into their crop rotations. Our research objective was to compare cover crop seeding mixtures, planting dates, and termination dates on performance of rye (Secale cereale L.) and hairy vetch (Vicia villosa Roth) monocultures and mixtures in the maritime Pacific Northwest USA. The study included four seed mixtures (100% hairy vetch, 25% rye-75% hairy vetch, 50% rye-50% hairy vetch, and 100% rye by seed weight), two planting dates, and two termination dates, using a split-split plot design with four replications over six years. Measurements included winter ground cover; stand composition; cover crop biomass, N concentration, and N uptake; and June soil NO3(-)-N. Rye planted in mid-September and terminated in late April averaged 5.1 Mg ha(-1) biomass, whereas mixtures averaged 4.1 Mg ha(-1) and hairy vetch 2.3 Mg ha(-1). Delaying planting by 2.5 weeks reduced average winter ground cover by 65%, biomass by 50%, and cover crop N accumulation by 40%. Similar reductions in biomass and N accumulation occurred for late March termination, compared with late April termination. Mixtures had less annual biomass variability than rye. Mixtures accumulated 103 kg ha(-1) N and had mean C:N ratio <17:1 when planted in mid-September and terminated in late April. June soil NO3(-)-N (0 to 30 cm depth) averaged 62 kg ha(-1) for rye, 97 kg ha(-1) for the mixtures, and 119 kg ha(-1) for hairy vetch. Weeds comprised less of the mixtures biomass (20% weeds by weight at termination) compared with the monocultures (29%). Cover crop mixtures provided a balance between biomass accumulation and N concentration, more consistent biomass over the six-year study, and were more effective at reducing winter weeds compared with monocultures. PMID:26080008

  8. Steroid secretion following exposure of ovarian follicular cells to three different natural mixtures of persistent organic pollutants (POPs).

    PubMed

    Gregoraszczuk, Ewa L; Milczarek, Katarzyna; Wójtowicz, Anna K; Berg, Vidar; Skaare, Janneche U; Ropstad, Erik

    2008-01-01

    This study investigated in vitro endocrine disrupting effects of three mixtures of POPs: 'Marine mix' extracted from Atlantic cod liver, and two mixtures extracted from burbot liver, 'Mjøsa mix' and 'Losna mix'. The POP mixtures were chemically characterized. Co-culture of theca and granulosa cells, were exposed for 48h with different doses of 'Marine mix', 'Mjøsa mix' or 'Losna mix'. As an end point cell viability was determinated by LDH test, steroid analysis by EIA and caspase-3 by colorimetric substrate. Chemical characterization of the mixtures demonstrated that the 'Marine mix' contained high levels of DDTs and PCBs. In the 'Mjøsa mix', the dominant pollutants were BDEs and HBCD. The concentrations of POPs measured in the 'Losna mix' were considerably lower. All mixtures used in the present study had a stimulatory effect on testosterone and estradiol secretion with 'Marine mix'>'Mjøsa mix'>'Losna mix'. These results show that even a mixture containing background concentrations of POPs significantly affected steroid secretion. A higher steroidogenic response in low dose ranges, compared with high dose ranges indicated xenobiotic-conditioning hormesis. This could complicate predictions of effects in risk assessments. PMID:18024081

  9. Two-phase flow heat transfer of binary mixtures inside enhanced surface tubing

    SciTech Connect

    Sami, S.M.; Poirier, B.

    1998-08-01

    The primary heat transfer parameters such as coefficient of heat transfer and pressure drop observed during condensation of binary azeotropic refrigerant mixtures R-41Oa (R25/R32: 50/50), and R-507 (R125/R143a: 50/50) are presented in this paper. Experiments showed that for Reynolds numbers higher than 4.2 E06, R-410a appears to have greater heat transfer rates more than the other blends under investigation. Furthermore, it is quite evident from this data that R-507 has the highest pressure drop among the refrigerants under investigation.

  10. Thermodynamic and kinetic control of charged, amphiphilic triblock copolymer assembly via interaction with organic counterions in solvent mixtures

    NASA Astrophysics Data System (ADS)

    Cui, Honggang

    2007-12-01

    Amphiphilic block copolymers, consisting of at least two types of monomers with different affinity to the dissolving solvent(s), have been recognized as a molecular building unit for their chemical tunability and design flexibility. Amphiphilic block copolymers with a chargeable block have structural features of polyelectrolytes, block copolymers and surfactants. The combination of these different features offers great flexibility for developing novel assembled morphologies at the nanoscale and outstanding ability to control and manipulate those morphologies. The nanostructures, formed from the spontaneous association of amphiphilic block copolymer in selective solvents, show promise for applications in nanotechnology and pharmaceuticals, including drug delivery, tissue engineering and bio-imaging. A basic knowledge of their modes of self-assembly and their correspondence to application-related properties is just now being developed and poses a considerable scientific challenge. The goal of this dissertation is to investigate the associative behavior of charged, amphiphilic block copolymers in solvent mixtures while in the presence of organic counterions. Self-assembly of poly (acrylic acid)- block-poly (methyl acrylate)-block-polystyrene (PAA- b-PMA-b-PS) triblock copolymers produces nanodomains in THF/water solution specifically through the interaction with organic counterions (polyamines). These assembled structures can include classic micelles (spheres, cylinders and vesicles), but, more importantly, include non-classic micelles (disks, toroids, branched micelles and segmented micelles). Each micelle structure is stable and reproducible at different assembly conditions. The assembled micellar structures depend on not only solution components (thermodynamics) but also mixing procedure and consequent self-assembly pathway (kinetics). The key factors that determine the thermodynamic interactions that partially define the assembled structures and the kinetic assembly process include THF/water ratio, PS block length, the type and amount of organic counterions, and the mixing pathway. Their formation mechanism has been investigated from three aspects: (i) the chain structure of organic counterions, including spacer length, chain hydrophobicity between ionizable groups and the number of ionizable groups (amine group); (ii) molecular structure of the triblock copolymer, including block length of polystyrene and chain architecture; (iii) relative variation of the components, such as different ratios of THF to water and the different ratios of amine groups to acid groups. The first example of a novel micelle formed was the toroidal micelle. The toroidal micelle morphology, which is theoretically predicted but rarely observed, has been produced by the self assembly of PAA99- b-PMA73-b-PS66 in combination with 2,2-(ethylenedioxy)diethylamine (EDDA) and mixed THF/H2O solvent. It was found that toroids can be constructed by two mechanisms: elimination of energetically unfavored cylindrical micelle endcaps or perforation of disk-like micelles. Three-fold junctions were formed as intermediate structures to facilitate toroidal formation from cylindrical micelles. In order to construct toroids from cylindrical micelles, three requirements must be met: lower bending modulus (flexibility of cylinders), selfattraction between cylinders, and extra endcapping energy originating from chain packing frustration. Extremely high energy spheres can also fuse into toroids. Disk-like micelles can transform into a toroidal morphology when cylindrical packing geometry was initiated along the rims of disk-like micelles via solvent mixing that eventually perforated the disk center. The toroidal morphology can be kinetically trapped by either ridding the system of organic solvent or chemically crosslinking the PAA corona with EDDA via addition of 1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide methiodide (DPEM). The interaction of positively-charged, multivalent organic amines with the negatively-charged PAA corona plays a decisive role in the formation of these micelles. Inter-chain binding from the interaction of the two amine end groups of diamines with acid groups from different PAA corona blocks governs the final assembled structures. Diamines with hydrophilic spacers induced the formation of micelles with larger interfacial curvature as the spacer length increased. Disk-like micelles, cylindrical micelles or spherical micelles were observed with the gradual increase of hydrophilic spacer length. Diamines with variable hydrophobic spacers showed a similar effect when the spacer length was less than six methylene units. Application of longer hydrophobic diamines had a reverse effect on the interfacial curvature. This effect was attributed to the interaction of hydrophobic diamine hydrocarbon linking chains with the PMA-b-PS hydrophobic core. These findings indicate an easy method to tune micelle structure with multivalent organic counterions. (Abstract shortened by UMI.)

  11. The use of growth and behavioral endpoints to assess the effects of pesticide mixtures upon aquatic organisms.

    PubMed

    Hasenbein, Simone; Lawler, Sharon P; Geist, Juergen; Connon, Richard E

    2015-05-01

    Aquatic communities are often subject to complex contaminant mixtures, usually at sublethal concentrations, that can cause long-term detrimental effects. Chemicals within mixtures can effectively interact, resulting in synergism, antagonism or additivity. We investigated the tertiary mixture effects of two pyrethroids, lambda-cyhalothrin and permethrin, and the organophosphate chlorpyrifos, evaluating sublethal endpoints; immobility and growth, on Chironomus dilutus in 10-day exposures. We utilized a toxic units (TU) approach, based on median lethal concentrations (LC50) for each compound. The concepts of independent action and concentration addition were used to compare predicted mixture toxicity to observed mixture toxicity. Increased immobility resulted from mixture concentrations ≥1 TU (7.45 ng/L lambda-cyhalothrin × 24.90 ng/L permethrin × 129.70 ng/L chlorpyrifos), and single pesticides concentrations ≥0.25 TU (5.50 ng/L lambda-cyhalothrin, 24.23 ng/L permethrin, 90.92 ng/L chlorpyrifos, respectively). Growth was inhibited by pesticide mixtures ≥0.125 TU (1.04 ng/L lambda-cyhalothrin × 3.15 ng/L permethrin × 15.47 ng/L chlorpyrifos), and singly by lambda-cyhalothrin ≥0.25 TU (5.50 ng/L), and permethrin ≥0.167 TU (18.21 ng/L). The no observed effect concentrations (NOEC) for immobility and growth, for both mixture and single-pyrethroid exposure, were up to 8.0 and 12.0 times respectively lower than the corresponding NOEC for survival. The median effective concentrations (EC50) for growth (mixture and single-pyrethroid exposure) were up to 7.0 times lower than the respective LC50. This study reinforces that the integration of sublethal endpoints in monitoring efforts is powerful in discerning toxic effects that would otherwise be missed by solely utilizing traditional toxicity assessments. PMID:25630500

  12. An integrated QSAR-PBPK modelling approach for predicting the inhalation toxicokinetics of mixtures of volatile organic chemicals in the rat.

    PubMed

    Price, K; Krishnan, K

    2011-03-01

    The objective of this study was to predict the inhalation toxicokinetics of chemicals in mixtures using an integrated QSAR-PBPK modelling approach. The approach involved: (1) the determination of partition coefficients as well as V(max) and K(m) based solely on chemical structure for 53 volatile organic compounds, according to the group contribution approach; and (2) using the QSAR-driven coefficients as input in interaction-based PBPK models in the rat to predict the pharmacokinetics of chemicals in mixtures of up to 10 components (benzene, toluene, m-xylene, o-xylene, p-xylene, ethylbenzene, dichloromethane, trichloroethylene, tetrachloroethylene, and styrene). QSAR-estimated values of V(max) varied compared with experimental results by a factor of three for 43 out of 53 studied volatile organic compounds (VOCs). K(m) values were within a factor of three compared with experimental values for 43 out of 53 VOCs. Cross-validation performed as a ratio of predicted residual sum of squares and sum of squares of the response value indicates a value of 0.108 for V(max) and 0.208 for K(m). The integration of QSARs for partition coefficients, V(max) and K(m), as well as setting the K(m) equal to K(i) (metabolic inhibition constant) within the mixture PBPK model allowed to generate simulations of the inhalation pharmacokinetics of benzene, toluene, m-xylene, o-xylene, p-xylene, ethylbenzene, dichloromethane, trichloroethylene, tetrachloroethylene and styrene in various mixtures. Overall, the present study indicates the potential usefulness of the QSAR-PBPK modelling approach to provide first-cut evaluations of the kinetics of chemicals in mixtures of increasing complexity, on the basis of chemical structure. PMID:21391144

  13. Evaluation of the risk of mixtures of paddy insecticides and their transformation products to aquatic organisms in the Sakura River, Japan.

    PubMed

    Iwafune, Takashi; Yokoyama, Atsushi; Nagai, Takashi; Horio, Takeshi

    2011-08-01

    To assess the risk of mixtures of six paddy insecticides and their transformation products (TPs) to aquatic organisms in the Sakura River, Japan, their concentrations in the river water were monitored during the rice cultivation season in 2008 and 2009, and acute toxicity tests for Cheumatopsyche brevilineata (caddisflies) and Daphnia magna (daphnids), surrogate test species for caddisflies and cladocerans, respectively, were conducted. The mixture of fipronil, applied in the rice nursery box, and its desulfinyl, sulfide, and sulfone TPs were detected in the river for several months after transplanting, and they were more toxic to C. brevilineata than the other tested compounds. The toxicities of the parent compound and its TPs, such as fipronil and its TPs, may be related to their hydrophobicities. Risk quotients for mixtures (RQ(mix)) of only parent compounds did not exceed 1, but, in mid-June 2009, the RQ(mix) of parent compounds and TPs for caddisflies exceeded 1. Diazinon, fenitrothion, and fenthion sprayed on the rice crop and their TPs posed a sporadic risk for cladocerans, depending on the application timing, whereas fipronil TPs contributed to the RQ(mix) for caddisflies for several months after transplanting. The risk of mixtures of insecticides and their TPs differed seasonally between caddisflies and cladocerans, depending on insecticide application timing and the persistence and toxicity of TPs. PMID:21560145

  14. Natural mixtures of persistent organic pollutants (POPs) suppress ovarian follicle development, liver vitellogenin immunostaining and hepatocyte proliferation in female zebrafish (Danio rerio).

    PubMed

    Kraugerud, Marianne; Doughty, Richard William; Lyche, Jan L; Berg, Vidar; Tremoen, Nina H; Alestrøm, Peter; Aleksandersen, Mona; Ropstad, Erik

    2012-07-15

    Persistent organic pollutants such as polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs) and dichlorodiphenyltrichloroethane (DDT) are present in high concentrations in livers of burbot (Lota lota) in Lake Mjøsa, Norway. In order to assess effects of such pollutants on fish gonadal morphology, female zebrafish were exposed in two generations by food to mixtures of pollutants extracted from livers of burbot from Lake Mjøsa (high and low dose) and Lake Losna, which represents background pollution, and compared to a control group. Ovarian follicle counts detected a significant decrease in late vitellogenic follicle stages in fish exposed to the Losna and the high concentrations of Mjøsa mixtures in fish from the first generation. In addition, proliferation of granulosa cells, visualized by immunohistochemistry against proliferating cell nuclear antigen (PCNA), was decreased in all exposure groups in either early or late vitellogenic follicle stages compared to control. This was accompanied by increased apoptosis of granulosa cells. There was a decrease in proliferation of liver hepatocytes with exposure to both Mjøsa mixtures. In addition, immunopositivity for vitellogenin in the liver was significantly lower in the Mjøsa high group than in the control group. When analysing effects of parental exposure, fish with parents exposed to Mjøsa high mixture had significantly higher numbers of perinucleolar follicles than fish with control parents. We conclude that long-term exposure of a real-life mixture of pollutants containing high- and background levels of chemicals supress ovarian follicle development, liver vitellogenin immunostaining intensity and hepatocyte proliferation in the zebrafish model. PMID:22459409

  15. Effect of incorporation of walnut cake (Juglans regia) in concentrate mixture on degradation of dry matter, organic matter and production of microbial biomass in vitro in goat

    PubMed Central

    Mir, Mohsin Ahmad; Sharma, R. K.; Rastogi, Ankur; Barman, Keshab

    2015-01-01

    Aim: This study was carried out to investigate the effect of incorporation of different level of walnut cake in concentrate mixture on in vitro dry matter degradation in order to determine its level of supplementation in ruminant ration. Materials and Methods: Walnut cake was used @ 0, 10, 15, 20, 25 and 30% level to formulate an iso-nitrogenous concentrate mixtures and designated as T1, T2, T3, T4, T5 and T6 respectively. The different formulae of concentrate mixtures were used for in vitro gas production studies using goat rumen liquor with wheat straw in 40:60 ratio. Proximate composition, fiber fractionation and calcium and phosphrous content of walnut cake were estimated. Result: The per cent IVDMD value of T1 and T2 diets was 68.42 ± 1.20 and 67.25 ± 1.37 respectively which was found highest (P<0.05) T3, T4, T5 and T6. Similar trend was also found for TDOM and MBP. Inclusion of walnut cake at 10% level in the concentrate mixture does not affect in vitro dry matter digestibility (IVDMD), truly degradable organic matter (TDOM, mg/200 mg DM), total gas production, microbial biomass production (MBP) and efficiency of microbial biomass production (EMP). Conclusion: It is concluded that walnut cake incorporation up to 10% level in the iso -nitrogenous concentrate mixture has no any negative effect on in vitro digestibility of dry matter (DM), TDOM, MBP, EMP and total gas production in goat. PMID:27047013

  16. A Combined Kinetic and Volatility Basis Set Approach to Model Secondary Organic Aerosol from Toluene and Diesel Exhaust/Meat Cooking Mixtures

    NASA Astrophysics Data System (ADS)

    Parikh, H. M.; Carlton, A. G.; Zhang, H.; Kamens, R.; Vizuete, W.

    2011-12-01

    Secondary organic aerosol (SOA) is simulated for 6 outdoor smog chamber experiments using a SOA model based on a kinetic chemical mechanism in conjunction with a volatility basis set (VBS) approach. The experiments include toluene, a non-SOA-forming hydrocarbon mixture, diesel exhaust or meat cooking emissions and NOx, and are performed under varying conditions of relative humidity. SOA formation from toluene is modeled using a condensed kinetic aromatic mechanism that includes partitioning of lumped semi-volatile products in particle organic-phase and incorporates particle aqueous-phase chemistry to describe uptake of glyoxal and methylglyoxal. Modeling using the kinetic mechanism alone, along with primary organic aerosol (POA) from diesel exhaust (DE) /meat cooking (MC) fails to simulate the rapid SOA formation at the beginning hours of the experiments. Inclusion of a VBS approach with the kinetic mechanism to characterize the emissions and chemistry of complex mixture of intermediate volatility organic compounds (IVOCs) from DE/MC, substantially improves SOA predictions when compared with observed data. The VBS model includes photochemical aging of IVOCs and evaporation of POA after dilution. The relative contribution of SOA mass from DE/MC is as high as 95% in the morning, but substantially decreases after mid-afternoon. For high humidity experiments, aqueous-phase SOA fraction dominates the total SOA mass at the end of the day (approximately 50%). In summary, the combined kinetic and VBS approach provides a new and improved framework to semi-explicitly model SOA from VOC precursors in conjunction with a VBS approach that can be used on complex emission mixtures comprised with hundreds of individual chemical species.

  17. Organic matter characteristics in boreal forest soils under stands of silver birch, Norway spruce, and Norway spruce with a mixture of silver birch

    NASA Astrophysics Data System (ADS)

    Smolander, A.; Kitunen, V.

    2012-04-01

    The aim was to study how tree species and a tree species mixture affect microbial C and N transformations and two major plant secondary compound groups, terpenes and phenolic compounds in soil. The study site was a tree-species experiment in middle-eastern part of Finland containing plots of 43-year-old silver birch, Norway spruce and Norway spruce with a mixture of silver birch (22 and 37 % birch of the total stem number). Soil was podzol and humus type mor. Samples were taken from the organic layer. C and N in the microbial biomass, rates of C mineralization (CO2 evolution), net N mineralization and nitrification, and concentrations of total water-soluble phenolic compounds, condensed tannins and different kind of terpenes were measured. Amounts of C and N in the microbial biomass and the rates of C mineralization and net N mineralization were all lower under spruce than birch, and particularly net N mineralization was stimulated by birch mixture. Concentrations of total water-soluble phenolic compounds were on a similar level, irrespective of tree species. However, there were less low-molecular-weight phenolics and more high-molecular-weight phenolics under spruce than birch. Concentrations of condensed tannins and both sesqui- and diterpenes were all higher under spruce than birch but the concentrations of triterpenes were similar in all soils. The difference between tree species was greatest with monoterpenes which were measured from both organic layer and soil atmosphere: high concentrations under spruce and negligible under birch. Birch mixture tended to decrease the concentrations of condensed tannins and mono-, sesqui- and diterpenes.

  18. Improved anaerobic digestion of a thermally pretreated mixture of physicochemical sludge; broiler excreta and sugar cane wastes (SCW): Effect on organic matter solubilization, biodegradability and bioenergy production.

    PubMed

    Nava-Valente, Noemí; Alvarado-Lassman, Alejandro; Nativitas-Sandoval, Liliana S; Mendez-Contreras, Juan M

    2016-04-15

    Thermal pretreatment effect of a mixture of organic wastes (physicochemical sludge, excreta of broiler chickens and sugarcane wastes (SCW)) in the solubilization and biodegradability organic matter as well as bioenergy production by anaerobic digestion was evaluated. Two different mixtures of physicochemical sludge, excreta of broiler chickens and SCW (70%, 15%, 15% and 60%, 20%, 20% of VS, respectively) were treated at different temperatures (80°C, 85°C and 90°C) and contact time (30, 60 and 90 min). Results indicate that, organic matter solubilization degree increased from 1.14 to 6.56%; subsequently, in the anaerobic digestion process, an increase of 50% in the volatile solids removal and 10% in biogas production was observed, while, retention time decreased from 23 up to 9 days. The results obtained were similar to pilot-scale. In both experimental scales it showed that the synergy produced by the simultaneous anaerobic digestion of different substrates could increase bioenergy production up to 1.3 L bio g(-1) VS removed and 0.82 L CH4 g(-1) VS removed. The treatment conditions presented in this study allow for large residue quantities to be treated and large bioenergy quantities to be produced (10% higher than during conventional treatment) without increasing the anaerobic digester volume. PMID:26819145

  19. Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures

    NASA Astrophysics Data System (ADS)

    Chandrashekaraiah, Thejaswini Halethimmanahally; Bogdanowicz, Robert; Danilov, Vladimir; Schäfer, Jan; Meichsner, Jürgen; Hippler, Rainer

    2015-06-01

    Organic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2H m /N2 ( m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface chemical compositions have been derived from X-ray photo electron spectroscopy (XPS). FT-IRRAS and XPS show the presence of sp, s p 2 and s p 3 bonds of carbon and nitrogen. Various functional groups such as NH containing, saturated and unsaturated alkyl groups have been identified. Thin films obtained from C2H2/N2 and C2H4/N2 gas mixtures revealed a higher N/C ratio when compared to thin films obtained from C2H6/N2. Thickness, refractive index and extinction coefficient were evaluated by spectroscopic ellipsometry (SE). Significant differences between the films obtained with different gas mixtures are observed.

  20. Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures

    NASA Astrophysics Data System (ADS)

    Halethimmanahally Chandrashekaraiah, Thejaswini; Bogdanowicz, Robert; Danilov, Vladimir; Schäfer, Jan; Meichsner, Jürgen; Hippler, Rainer

    2015-06-01

    Organic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2Hm/N2 (m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface chemical compositions have been derived from X-ray photo electron spectroscopy (XPS). FT-IRRAS and XPS show the presence of sp, sp2 and sp3 bonds of carbon and nitrogen. Various functional groups such as NH containing, saturated and unsaturated alkyl groups have been identified. Thin films obtained from C2H2/N2 and C2H4/N2 gas mixtures revealed a higher N/C ratio when compared to thin films obtained from C2H6/N2. Thickness, refractive index and extinction coefficient were evaluated by spectroscopic ellipsometry (SE). Significant differences between the films obtained with different gas mixtures are observed.

  1. Detailed Chemical Characterization of Unresolved Complex Mixtures (UCM) inAtmospheric Organics: Insights into Emission Sources, Atmospheric Processing andSecondary Organic Aerosol Formation

    EPA Science Inventory

    Recent studies suggest that semivolatile organic compounds (SVOCs) are important precursors to secondary organic aerosol (SOA) in urban atmospheres. However, knowledge of the chemical composition of SVOCs is limited by current analytical techniques, which are typically unable to...

  2. Pesticide Toxicity Index--a tool for assessing potential toxicity of pesticide mixtures to freshwater aquatic organisms.

    PubMed

    Nowell, Lisa H; Norman, Julia E; Moran, Patrick W; Martin, Jeffrey D; Stone, Wesley W

    2014-04-01

    Pesticide mixtures are common in streams with agricultural or urban influence in the watershed. The Pesticide Toxicity Index (PTI) is a screening tool to assess potential aquatic toxicity of complex pesticide mixtures by combining measures of pesticide exposure and acute toxicity in an additive toxic-unit model. The PTI is determined separately for fish, cladocerans, and benthic invertebrates. This study expands the number of pesticides and degradates included in previous editions of the PTI from 124 to 492 pesticides and degradates, and includes two types of PTI for use in different applications, depending on study objectives. The Median-PTI was calculated from median toxicity values for individual pesticides, so is robust to outliers and is appropriate for comparing relative potential toxicity among samples, sites, or pesticides. The Sensitive-PTI uses the 5th percentile of available toxicity values, so is a more sensitive screening-level indicator of potential toxicity. PTI predictions of toxicity in environmental samples were tested using data aggregated from published field studies that measured pesticide concentrations and toxicity to Ceriodaphnia dubia in ambient stream water. C. dubia survival was reduced to ≤50% of controls in 44% of samples with Median-PTI values of 0.1-1, and to 0% in 96% of samples with Median-PTI values >1. The PTI is a relative, but quantitative, indicator of potential toxicity that can be used to evaluate relationships between pesticide exposure and biological condition. PMID:24463251

  3. Thermodynamic properties of aqueous organic mixtures near the critical demixing: Cases of 2,6-dimethylpyridine and of 2-isobutoxyethanol

    SciTech Connect

    Perron, G.; Quirion, F.; Lambert, D.; Ledoux, J.; Desnoyers, J.E. ); Ghaicha, L.; Bennes, R. ); Privat, M. )

    1993-02-01

    Phase diagrams, volumes and heat capacities of aqueous mixtures of 2,6-dimethylpyridine (2,6-L) and 2-isobutoxyethanol (iBE) and activities of 2,6-L in aqueous mixtures were measured in the monophasic region near the lower critical solution temperature (LCST). With 2,6-L some measurements were also made just above the LCST. From the temperature dependence of these data, partial molar relative enthalpies (2,6-L), expansibilities and the temperature derivative of heat capacities were calculated and show that iBe undergoes a microphase transition at low concentration which is not related to the phase separation. On the other hand, the properties of 2,6-L in the water-rich region at temperatures well below the LCST indicates that this solute has only a slight tendency to associate. The heat capacities of 2,6-L show an important increase near the LCST. Such changes are not observed for iBE and other alkoxyethanols and amines since these systems already exist in the form of microphases; the partial molar properties of iBE near the LCST are nearly equal to the molar values of the pure liquid, and the changes in thermodynamic properties corresponding to the macroscopic phase transition, are therefore too small to be measured by the present techniques. 40 refs., 13 figs., 1 tab.

  4. Secondary Organic Aerosol Formation from the Photooxidation of Complex Hydrocarbon Mixtures: Composition, effect of SO2, and Relevance to Ambient Aerosol

    NASA Astrophysics Data System (ADS)

    Surratt, J. D.; Gao, S.; Knipping, E.; Edgerton, E.; Shahgoli, M.; Seinfeld, J. H.; Edney, E.; Kleindiesnt, T.; Lewandowski, M.; Offenberg, J.; Jaoui, M.

    2005-12-01

    Secondary organic aerosol (SOA) formation from single hydrocarbon precursors is commonly studied in smog chamber experiments to obtain SOA yield and organic composition data. However, very few complex air mixture experiments have been conducted to simulate possible conditions in ambient atmospheres. A six-phase experiment involving various combinations of alpha-pinene, toluene, isoprene, and SO2 were irradiated in the EPA's dynamic smog chamber at the National Exposure Research Laboratory in Raleigh, NC. Glass fiber filters and impactor plates were collected for each phase of the experiment to identify and quantify the nature of the SOA composition. The following suite of analytical techniques analyzed the resultant polar organic compounds and the high molecular weight species: liquid chromatography-electrospray ionization (ESI)-mass spectrometry, gas chromatography-mass spectrometry, ESI-ion trap mass spectrometry, matrix assisted laser desorption (MALDI)-time of flight mass spectrometry, and high-resolution mass spectrometry. When SO2 is present in the chamber, increases in the gravimetric aerosol mass concentration and in the abundance of polar organic compounds are observed, likely suggesting an acid catalysis effect stemming from the conversion of SO2 to H2SO4 that condenses onto aerosol formed. The addition of isoprene to a alpha-pinene/toluene mixture is found to lower the amount of aerosol produced and is also found to lower the abundance of organic compounds identified by the various analytical techniques. Lastly, many of the polar organic compounds identified and quantified here are also seen in the Southeastern Aerosol Research and Characterization (SEARCH) network during the summer of 2004. In particular, a sulfur and nitrogen containing organic species (MW = 295 gmol) is found to be the most abundant polar organic species identified in this field study (~28 % on average of the total identified organic mass). This species is also detected in the chamber experiment only when alpha-pinene and SO2 are both present in the chamber, suggesting that this abundant species is likely formed from monoterpene photooxidation. High-resolution mass spectrometry suggests the molecular formula for this species is C10H16NO7S.

  5. In vitro study on the effect of organic acids on Campylobacter jejuni/coli populations in mixtures of water and feed.

    PubMed

    Chaveerach, P; Keuzenkamp, D A; Urlings, H A P; Lipman, L J A; van Knapen, F

    2002-05-01

    Gastroenteritis caused by Campylobacter spp. infection has been recognized as one of the important public health problems in the developed countries. Outbreaks mostly originate from the consumption of contaminated poultry or infected water. The aim of this study was to determine the bactericidal activity on Campylobacter spp. of organic acids individually and in combinations at different pH levels and times and to compare bactericidal activities with activities of commercially available products. Ten strains of Campylobacter spp. were added in a mixture of water with commercial broiler feed, separately adjusted by four acids: formic, acetic, propionic, and hydrochloric acids, into pH 4.0, 4.5, 5.0, and 5.5. A combination of three organic acids was used in two different formulation ratios: formic:acetic:propionic at 1:2:3 and 1:2:5, at pH 4.0, 4.5, 5.0, and 5.5. All organic acids showed the strongest bactericidal effect on Campylobacter at pH 4.0. In contrast, at pH 5.0 and 5.5, the bactericidal activity of the four acids was low. The combination of organic acids showed a synergistic bactericidal activity at pH 4.5. Interestingly, the effect of the combined organic acids was stronger than the commercial products. Morphological cell changes were studied by transmission electron microscopy to determine the effect of the organic acids on the cell structure of Campylobacter. Some loss of outer membranes of the bacteria could be found in treated groups. Therefore, it can be concluded that organic acids, individually or in combination, have a strong bactericidal effect on Campylobacter spp. Routine application of organic acids to the water supply on poultry farms could prevent or diminish Campylobacter transmission. PMID:12033410

  6. Application of Steam Flushing to Removal of a DNAPL Mixture of Volatile and Very Low Volatility Organic Compounds

    NASA Astrophysics Data System (ADS)

    Sleep, B. E.; Zhang, Z.

    2009-05-01

    A laboratory study was performed to assess the effectiveness of steam flushing for removal of a dense nonaqueous phase liquid (DNAPL) mixture of monochlorobenzene (MCB) and DDT. MCB has a boiling point of 131 C, while DDT has a melting point of approximately 110 C, but is soluble in MCB. In the study 600 mL of a MCB-DDT DNAPL mixture was injected into a medium sand layer above a capillary barrier (silt) in a cell of dimension 110 cm long by 60 cm high by 10 cm thick. After the DNAPL became immobilized as a pool on the capillary barrier steam was flushed through the system at an inlet temperature of 135 C and a pressure of 100 kPa, to represent removal of DNAPL from approximately 10 m below the water table. Approximately 3.5 pore volumes of steam (as condensate) were flushed through the DNAPL zone above the capillary barrier over an 11 hour period. Temperatures in the DNAPL zone exceeded the melting point of pure DDT and reached the boiling point of MCB. Initial DNAPL removal was due to hydraulic displacement (as indicated by DNAPL composition close to the source DNAPL composition), followed by primarily MCB removal by steam distillation. A total of 255 mL of DNAPL was recovered. Soil sampling following steam flushing showed levels of both MCB and DDT remaining in the original DNAPL zone that were consistent with the presence of DNAPL. Significant levels of MCB and DDT were also found below the capillary barrier, indicating that downward movement of MCB and DDT occurred, likely due to desaturation of the capillary barrier during steam flushing. In addition, heating to temperatures associated with significant depths below the water table enhances the mobility of the MCB-DDT DNAPL by reducing the DNAPL viscosity and preventing the solidification of DDT that might otherwise occur with MCB removal.

  7. Mineral contributions to atrazine and alachlor sorption in soil mixtures of variable organic carbon and clay content

    NASA Astrophysics Data System (ADS)

    Grundl, Tim; Small, Greg

    1993-09-01

    A sediment mixing approach was taken to systematically vary the organic carbon (oc) and clay content (cm) of a suite of organic-poor, clay-rich sediments. Organic carbon content ranged from 3.2% to 0.4% and clay content ranged from 24% to 51%. Atrazine and alachlor were shown to sorb to both natural organic carbon and clay minerals. Partition coefficients to natural organic carbon ( Koc) were found to be 217 and 412 L/kg organic carbon for atrazine and alachlor, respectively. Partition coefficients to the clay fraction were found to be 3.5 and 4.9 L/kg clay for atrazine and alachlor, respectively. When expressed in terms of surface area, the partition coefficients to clay for atrazine and alachlor were 1.80·10 -5 and 2.51·10 -5 L/m 2 clay, respectively. Critical cm/oc ratios at which mineral phase sorption accounts for 50% of the total are defined. Implications for the modelling of herbicide movement in the subsurface if mineral phase sorption is ignored is discussed.

  8. ASSESSING THE INTERACTIONS OF ORGANIC COMPOUNDS DURING BIODEGRADATION OF COMPLEX WASTE MIXTURES BY NATURALLY OCCURRING BACTERIAL ASSEMBLAGES

    EPA Science Inventory

    Selected organic chemicals were tested to determine the minimum concentrations at which complete inhibition of microbial degradative processes occurred. omplete inhibition did not occur at less than 2 g/L phenols 10 g/L toluene or n-butanol, and 100 g/L acetone, benzene or methan...

  9. A predictive method for crude oil volatile organic compounds emission from soil: evaporation and diffusion behavior investigation of binary gas mixtures.

    PubMed

    Wang, Haijing; Fischer, Thomas; Wieprecht, Wolfgang; Möller, Detlev

    2015-05-01

    Due to their mobility and toxicity, crude oil volatile organic compounds (VOCs) are representative components for oil pipeline contaminated sites detection. Therefore, contaminated location risk assessment, with airborne light detection and ranging (LIDAR) survey, in particular, requires ground-based determinative methods for oil VOCs, the interaction between oil VOCs and soil, and information on how they diffuse from underground into atmosphere. First, we developed a method for determination of crude oil VOC binary mixtures (take n-pentane and n-hexane as examples), taking synergistic effects of VOC mixtures on polydimethylsiloxane (PDMS) solid-phase microextraction (SPME) fibers into consideration. Using this method, we further aim to extract VOCs from small volumes, for example, from soil pores, using a custom-made sampling device for nondestructive SPME fiber intrusion, and to study VOC transport through heterogeneous porous media. Second, specific surface Brunauer-Emmett-Teller (BET) analysis was conducted and used for estimation of VOC isotherm parameters in soil. Finally, two models were fitted for VOC emission prediction, and the results were compared to the experimental emission results. It was found that free diffusion mode worked well, and an empirical correction factor seems to be needed for the other model to adapt to our condition for single and binary systems. PMID:25572270

  10. Performance of innovative PU-foam and natural fiber-based composites for the biofiltration of a mixture of volatile organic compounds by a fungal biofilm.

    PubMed

    Gutiérrez-Acosta, O B; Arriaga, S; Escobar-Barrios, V A; Casas-Flores, S; Almendarez-Camarillo, A

    2012-01-30

    The performance of perlite and two innovative carriers that consist of polyurethane (PU) chemically modified with starch; and polypropylene reinforced with agave fibers was evaluated in the biofiltration of a mixture of VOCs composed of hexane, toluene and methyl-ethyl-ketone. At a total organic loading rate of 145 gCm(-3)h(-1) the elimination capacities (ECs) obtained were 145, 24 and 96 gCm(-3)h(-1) for the biofilters packed with the PU, the reinforced polypropylene, and perlite, respectively. Specific maximum biodegradation rates of the mixture, in the biofilters, were 416 mgCg(protein)(-1)  h(-1) for the PU and 63 mgCg(protein)(-1) h(-1) for perlite, which confirms the highest performance of the PU-composite. 18S rDNA analysis from the PU-biofilter revealed the presence of Fusarium solani in its sexual and asexual states, respectively. The modified PU carrier significantly reduced the start-up period of the biofilter and enhanced the EC of the VOCs. Thus, this study gives new alternatives in the field of packing materials synthesis, promoting the addition of easily biodegradable sources to enhance the performance of biofilters. PMID:22178276

  11. Organic light-emitting devices with a mixture emitting layer of tris-(8-hydroxyquinoline) aluminum and 4,4'-bis(carbazol-9-yl)-biphenyl

    NASA Astrophysics Data System (ADS)

    Chen, B. J.; Sun, X. W.; Sarma, K. R.

    2006-06-01

    Organic light-emitting devices with a mixture of tris-(8-hydroxyqunoline) aluminum (Alq3) and 4,4'-bis(carbazol-9-yl)-biphenyl (CBP) as the emitting layer have been fabricated. The devices were fabricated in the same run with a standard device without CBP for comparison, with an identical structure of indium tin oxide (ITO)/m-MTDATA (80nm)/NPB (20nm)/CBP:Alq3 (40nm)/BCP (10nm)/Alq3 (60nm)/Mg:Ag (200nm), where m-MTDATA is 4,4',4?-tris(N-3-methylphenyl-N-phenyl-amino) triphenylamine, which is used to improve hole injection; NPB is N ,N'-di(naphth-2-yl)-N ,N'-diphenyl-benzidine; and BCP is 2,9-Dimethyl-4,7-diphenyl-1,110-phenanthorline. The ratio of CBP to Alq3 in mixture was varied from 0 to 2. For device with a ratio of 0.5, the current efficiency and power efficiency were significantly improved by 35% and 32%, respectively, compared to the standard device with Alq3 only as emitting layer. By increasing the ratio to 2, the current efficiency and power efficiency were dropped by 20% and 11%, respectively. The electroluminescence spectra showed a slight blueshift with the increase of CBP to Alq3 ratio.

  12. Heat transfer in nucleate boiling of R134a/R152a mixtures

    NASA Astrophysics Data System (ADS)

    Shi, Kehong; Spindler, Klaus; Hahne, Erich

    2010-11-01

    Heat transfer coefficients were measured on a horizontal platinum wire and converted to data on horizontal copper tubes. The measurements spanned a large region of pressures p* = p/pcrit = 0.05-0.50 and heat fluxes of q = 103-1.5 × 105 W/m2. The preparation of the test equipment is described. The effects of pressure and concentration on the heat transfer coefficients are shown. The mixture behaves very much like an azeotropic mixture; concentration has only a small effect, the heat transfer coefficients can be obtained from the heat transfer coefficients of the pure components according to their molar fractions. The conversion steps from wire- to tube-data are presented. A comparison of wire-data with correlations given in literature is shown. It renders good agreement.

  13. IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures--Revised and Updated. Part 3. Neat Organic Solvents

    NASA Astrophysics Data System (ADS)

    Acree, William E.

    2013-03-01

    This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in neat organic solvents. Published solubility data for acenaphthene, anthracene, biphenyl, carbazole, dibenzofuran, dibenzothiophene, fluoranthene, fluorene, naphthalene, phenanthrene, phenothiazine, pyrene, thianthrene, and xanthene that appeared in the primary literature from 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for more than 550 different solute-organic solvent systems are included. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.

  14. Determination of the H isotopic composition of individual components in fine-scale mixtures of organic matter and phyllosilicates with the nanoscale secondary ion mass spectrometry.

    PubMed

    Piani, Laurette; Remusat, Laurent; Robert, Franois

    2012-12-01

    When organic matter is mixed on a nanometer scale with clay minerals, the individual D/H ratios of the two H-bearing phases cannot be directly measured even with the nominal spatial resolution of nanoscale secondary ion mass spectrometry (NanoSIMS, 50-100 nm). To overcome this limitation, a new analytical protocol is proposed based on the deconvolution of the D(-)/H(-) and (16)OD(-)/(16)OH(-) ionic ratios measured by NanoSIMS. Indeed, since the yields of H(-) and (16)OH(-) are different for organics and clays, it should be theoretically possible to determine the mixing ratio of these two components in the area analyzed by the ion probe. Using organics with different D/H ratios, the interdependence of the D(-)/H(-) and (16)OD(-)/(16)OH(-) ionic ratios was determined in pure samples. Then using the H(-) and (16)OH(-) yields and the isotopic ratios measured on pure organic matter and clays, the expected D(-)/H(-) and (16)OD(-)/(16)OH(-) variations as a function of the mixing proportions were determined. These numerical predictions are consistent with measurements on laboratory prepared mixtures of D-rich organic matter and D-poor phyllosilicates, validating both the proposed experimental protocol and its use for meteorites. With an improvement of the precision of the ionic ratios by a factor of 10, it should possible to expend this protocol to samples having natural terrestrial D/H variations. Such an improvement could be attainable with the development of synthetic deuterated reference samples. PMID:23121456

  15. A case study on co-exposure to a mixture of organic solvents in a Tunisian adhesive-producing company

    PubMed Central

    2011-01-01

    Objectives to assess environmental and biological monitoring of exposure to organic solvents in a glue-manufacturing company in Sfax, Tunisia. Methods Exposure of volunteer workers, in the solvented glue-work-stations, in the control laboratory and in the storage rooms of the finished products, was assessed through indoor-air and urine measurements. Informed consent of the workers was obtained. Results and discussion The exposure indexes were found with high values in the solvented workshop as well as in the control laboratory and were respectively, 8.40 and 3.12. These indexes were also correlated with hexane and toluene indoor air concentrations. As to urine, the obtained results for the 2,5-hexandione and hippuric acid, metabolites of hexane and toluene, respectively, were in accord with the indoor-air measurements, with an average of 0.46 mg/l and 1240 mg/g of creatinine. Conclusion This study assessed for the first time biological exposure to organic solvents used in Tunisian adhesive industries. Although values are likely to underestimate true exposure levels, some figures exceed European and American occupational exposure guidelines. PMID:22082240

  16. Dissipation of a commercial mixture of polyoxyethylene amine surfactants in aquatic outdoor microcosms: Effect of water depth and sediment organic carbon.

    PubMed

    Rodriguez-Gil, Jose Luis; Lissemore, Linda; Solomon, Keith; Hanson, Mark

    2016-04-15

    This study optimized existing analytical approaches and characterized the effect of sediment total organic carbon (0.05-2.05% TOC), and water depth (15, 30, and 90cm) on the fate of MON 0818, a commercial mixture of polyoxyethylene amine surfactants (POEAs), in outdoor microcosms. Mixtures of POEAs are commonly used as adjuvants in commercial herbicide formulations containing glyphosate. Until recently, analytical methods sensitive enough to monitor environmental concentrations of POEAs in aquatic systems were not available. After optimizing recently developed analytical methods, we found that the combined use of accelerated solvent extraction (ASE) and liquid chromatography-tandem mass spectrometry provided a reliable approach for determining the concentration of sediment-adsorbed POEAs. The surfactant showed strong affinity for sediment materials, with low maximum recoveries by ASE of 52%. Under microcosm conditions, water depth or sediment characteristics did not significantly affect the water-column half-life of POEA, which ranged from 3.2 to 5.3h. Binding of POEAs to suspended solids was observed, which dissipated via one- or two-phase exponential decay; when two-phase decay occurred, fast phase half-life values ranged from 0.71 to 1.3h and slow-phase values ranged from 18 to 44h. Concentrations of POEA increased in sediment shortly after application and decreased over the study period with a half-life of 5.8 to 71d. The concentrations of POEAs in the sediment of the shallow (15cm) ponds dissipated following a two-phase exponential decay model with an initial fast-phase half-life of 1.1 to 8.9d and a slower second-phase half-life of 21d. Our results suggest that aquatic organisms are unlikely to be exposed to POEAs in aqueous phase for periods of more than a few hours following an over-water application, and that sediment is a significant sink for POEAs in aquatic systems. PMID:26845181

  17. Monte Carlo simulations of mixtures involving ketones and aldehydes by a direct bubble pressure calculation.

    PubMed

    Ferrando, Nicolas; Lachet, Véronique; Boutin, Anne

    2010-07-01

    Ketone and aldehyde molecules are involved in a large variety of industrial applications. Because they are mainly present mixed with other compounds, the prediction of phase equilibrium of mixtures involving these classes of molecules is of first interest particularly to design and optimize separation processes. The main goal of this work is to propose a transferable force field for ketones and aldehydes that allows accurate molecular simulations of not only pure compounds but also complex mixtures. The proposed force field is based on the anisotropic united-atoms AUA4 potential developed for hydrocarbons, and it introduces only one new atom, the carbonyl oxygen. The Lennard-Jones parameters of this oxygen atom have been adjusted on saturated thermodynamic properties of both acetone and acetaldehyde. To simulate mixtures, Monte Carlo simulations are carried out in a specific pseudoensemble which allows a direct calculation of the bubble pressure. For polar mixtures involved in this study, we show that this approach is an interesting alternative to classical calculations in the isothermal-isobaric Gibbs ensemble. The pressure-composition diagrams of polar + polar and polar + nonpolar binary mixtures are well reproduced. Mutual solubilities as well as azeotrope location, if present, are accurately predicted without any empirical binary interaction parameters or readjustment. Such result highlights the transferability of the proposed force field, which is an essential feature toward the simulation of complex oxygenated mixtures of industrial interest. PMID:20540589

  18. A Digital Variable-Angle Rolling-Ball Viscometer for Measurement of Viscosity, Density, and Bubble-Point Pressure of CO2 and Organic Liquid Mixtures

    NASA Astrophysics Data System (ADS)

    Sato, Yoshiyuki; Yoshioka, Hiroki; Aikawa, Shohei; Smith, Richard Lee

    2010-10-01

    A new apparatus was developed for measuring the viscosity, density, and bubble-point pressure of CO2 and organic liquid mixtures. The apparatus is based on the rolling-ball principle and consists of a computer-controlled stepper motor that rotates a high-pressure cell that is equipped with a sapphire window, a movable piston, and a position-sensing device. Design of the high-pressure cell was made such that compositions could be determined by mass. The viscosity was determined by sensing the speed of a rolling ball, and the density was determined by sensing the position of the piston with a linear-variable differential transformer. Bubble-point pressures were measured with the synthetic method. The viscosity and density of octane and decane were measured, and the average deviations of these properties compared with reliable literature values were 1.1 % and 0.15 %, respectively. The viscosity and density of CO2 + tetrahydrofuran system were measured at a temperature of 60 °C, a pressure of 10.2 MPa, and CO2 mole fractions up to 0.3. Bubble-point pressures for the CO2 + tetrahydrofuran system were in good agreement with literature data.

  19. Potential of Effective micro-organisms and Eisenia fetida in enhancing vermi-degradation and nutrient release of fly ash incorporated into cow dung-paper waste mixture.

    PubMed

    Mupambwa, Hupenyu Allan; Ravindran, Balasubramani; Mnkeni, Pearson Nyari Stephano

    2016-02-01

    The interactions between earthworms and microorganisms activity has prompted several researchers to evaluate the potential of artificially inoculating vermicomposts with additional specific microbes, with the intention of enhancing the vermicomposting process. This study evaluated the potential of inoculating fly ash (F)-cow dung-paper waste (CP) mixture (F-CP) with a specialized microbial cocktail called Effective micro-organisms (EM) during vermicomposting using Eisenia fetida earthworms. Inoculation with EM alone did not result in significantly (P>0.05) different changes in C/N ratio and dissolved organic matter (DOC) compared to the control with no EM and E. fetida. A significant interaction between EM and E. fetida presence resulted in greater changes in C/N ratio and DOC, which were not statistically different from the E. fetida alone treatment. It was also noteworthy that the activity of ß-Glucosidase was not influenced by the presence of EM, but was significantly influenced (P=0.0014) by the presence of E. fetida. However, the EM+E. fetida treatment resulted in a rate of weekly Olsen P release of 54.32mgkg(-1) which was 12.3%, 89.2% and 228.0% more that the E. fetida alone, EM alone and control treatments, respectively. Similarly, though higher in the E. fetida plus EM treatment, the phosphate solubilizing bacteria counts were not significantly different (P>0.05) from the E. fetida alone treatment. It is concluded that inoculation of F-CP composts with EM alone may not be beneficial, while combining EM with E. fetida results in faster compost maturity and significantly greater Olsen P release. It would be interesting to evaluate higher optimized rates of EM inoculation and fortifying EM cocktails with phosphate solubilizing bacteria (PSB) on F-CP vermicompost degradation and phosphorus mineralization. PMID:26459189

  20. A Thermodynamic Property Model for R-125/143a Mixtures Based on a New Cubic Equation of State

    NASA Astrophysics Data System (ADS)

    Zhang, Heng-Liang; Tada, Satoru; Waranabe, Koichi

    The binary mixture of two hydrofluorocarbons, R-125 and R-143a, behaves almost like an azeotrope and has been considered as a promising refrigerant to substitute R-502. In this paper, we present a thermodynamic property model for the R-125/143a system, which was developed on the basis of a new cubic equation of state proposed in our previous publications. The essential thermodynamic properties such as PVTx properties, vapor-liquid equilibrium, enthalpy, entropy, isobaric specific heat, and speed of sound are well represented simultaneously by the new model in the entire fluid-phase of theR-125/143a system including the pure components.The model is valid for any composition with thermodynamic consistency to cover a range broad enough for refrigeration engineering applications. A pressure-enthalpy diagram for the R-125/143a mixture with 50 mass% R-125 is also presented.

  1. Modeling secondary organic aerosol formation from xylene and aromatic mixtures using a dynamic partitioning approach incorporating particle aqueous-phase chemistry (II)

    NASA Astrophysics Data System (ADS)

    Parikh, Harshal M.; Carlton, Annmarie G.; Zhou, Yang; Zhang, Haofei; Kamens, Richard M.; Vizuete, William

    2012-09-01

    Formation of secondary organic aerosol (SOA) is simulated for 14 outdoor smog chamber experiments using condensed gas-phase regulatory mechanisms and a new SOA framework. This framework is based on empirical parameterizations of independent chamber experiments and includes role of glyoxal and methylglyoxal in formation of particle aqueous-phase. To evaluate for regulatory applications, the chamber experiments include an urban non-SOA VOC mixture and NOx, with either injections of o/p-xylenes or toluene. The experiments are performed under varying conditions of relative humidity (RH) and in the presence of low initial background seed. Gas-particle partitioning of semi-volatile products into particle organic-phase is modeled using a dynamic partitioning approach with reactive uptake coefficient as the principal transport and kinetic parameter. Aqueous-phase SOA is predicted using formulations that describe the irreversible loss of both glyoxal and methylglyoxal to particle aqueous-phase. The predicted SOA mass in the new framework is evaluated using two regulatory gas-phase mechanisms - CB05 or SAPRC07 and, two regulatory parameterization schemes to predict semi-volatile product formation - an Odum-type two-product model and volatility basis-set (VBS). Predictions from the new SOA framework reproduce SOA mass within the uncertainty range of observations, irrespective of the choice of gas-phase mechanism and SOA parameterization scheme (root mean square error [RMSE] range of 0.18-3.08 μg m-3). Further, model results suggest strong possibility of dominance of bulk-process under low seed conditions and surface-uptake process under high seed for aqueous-phase SOA formation. Sensitivity analysis to the hygroscopic nature of aqueous-phase SOA indicates an uncertainty of a factor of 2 in bulk-process and surface-uptake rates. In summary, the results strongly point to considering mass-transfer and kinetic limitations in regulatory air quality models at low ambient seed concentrations and highlight the importance of aqueous-phase SOA for aromatics under high-RH conditions.

  2. New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups

    NASA Astrophysics Data System (ADS)

    Zuend, A.; Marcolli, C.; Booth, A. M.; Lienhard, D. M.; Soonsin, V.; Krieger, U. K.; Topping, D. O.; McFiggans, G.; Peter, T.; Seinfeld, J. H.

    2011-05-01

    We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcohols and polyols. With the goal to describe a wide variety of organic compounds found in atmospheric aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon. Thermodynamic equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H+, Li+, Na+, K+, NH4+, Mg2+, Ca2+, Cl-, Br-, NO3-, HSO4-, and SO42-. Detailed descriptions of different types of thermodynamic data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibria, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of experimental data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization algorithms. A number of exemplary calculations for systems containing atmospherically relevant aerosol components are shown. Amongst others, we discuss aqueous mixtures of ammonium sulfate with dicarboxylic acids and with levoglucosan. Overall, the new parameterization of AIOMFAC agrees well with a large number of experimental datasets. However, due to various reasons, for certain mixtures important deviations can occur. The new parameterization makes AIOMFAC a versatile thermodynamic tool. It enables the calculation of activity coefficients of thousands of different organic compounds in organic-inorganic mixtures of numerous components. Models based on AIOMFAC can be used to compute deliquescence relative humidities, liquid-liquid phase separations, and gas-particle partitioning of multicomponent mixtures of relevance for atmospheric chemistry or in other scientific fields.

  3. New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups

    NASA Astrophysics Data System (ADS)

    Zuend, A.; Marcolli, C.; Booth, A. M.; Lienhard, D. M.; Soonsin, V.; Krieger, U. K.; Topping, D. O.; McFiggans, G.; Peter, T.; Seinfeld, J. H.

    2011-09-01

    We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcohols and polyols. With the goal to describe a wide variety of organic compounds found in atmospheric aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon. Thermodynamic equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H+, Li+, Na+, K+, NH4+, Mg2+, Ca2+, Cl-, Br-, NO3-, HSO4-, and SO42-. Detailed descriptions of different types of thermodynamic data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibria, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of experimental data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization algorithms. A number of exemplary calculations for systems containing atmospherically relevant aerosol components are shown. Amongst others, we discuss aqueous mixtures of ammonium sulfate with dicarboxylic acids and with levoglucosan. Overall, the new parameterization of AIOMFAC agrees well with a large number of experimental datasets. However, due to various reasons, for certain mixtures important deviations can occur. The new parameterization makes AIOMFAC a versatile thermodynamic tool. It enables the calculation of activity coefficients of thousands of different organic compounds in organic-inorganic mixtures of numerous components. Models based on AIOMFAC can be used to compute deliquescence relative humidities, liquid-liquid phase separations, and gas-particle partitioning of multicomponent mixtures of relevance for atmospheric chemistry or in other scientific fields.

  4. Interactions in Ternary Mixtures of MnO2, Al2O3, and Natural Organic Matter (NOM) and the Impact on MnO2 Oxidative Reactivity.

    PubMed

    Taujale, Saru; Baratta, Laura R; Huang, Jianzhi; Zhang, Huichun

    2016-03-01

    Our previous work reported that Al2O3 inhibited the oxidative reactivity of MnO2 through heteroaggregation between oxide particles and surface complexation of the dissolved Al ions with MnO2 (S. Taujale and H. Zhang, "Impact of interactions between metal oxides to oxidative reactivity of manganese dioxide" Environ. Sci. Technol. 2012, 46, 2764-2771). The aim of the current work was to investigate interactions in ternary mixtures of MnO2, Al2O3, and NOM and how the interactions affect MnO2 oxidative reactivity. For the effect of Al ions, we examined ternary mixtures of MnO2, Al ions, and NOM. Our results indicated that an increase in the amount of humic acids (HAs) increasingly inhibited Al adsorption by forming soluble Al-HA complexes. As a consequence, there was less inhibition on MnO2 reactivity than by the sum of two binary mixtures (MnO2+Al ions and MnO2+HA). Alginate or pyromellitic acid (PA)-two model NOM compounds-did not affect Al adsorption, but Al ions increased alginate/PA adsorption by MnO2. The latter effect led to more inhibition on MnO2 reactivity than the sum of the two binary mixtures. In ternary mixtures of MnO2, Al2O3, and NOM, NOM inhibited dissolution of Al2O3. Zeta potential measurements, sedimentation experiments, TEM images, and modified DLVO calculations all indicated that HAs of up to 4 mg-C/L increased heteroaggregation between Al2O3 and MnO2, whereas higher amounts of HAs completely inhibited heteroaggregation. The effect of alginate is similar to that of HAs, although not as significant, while PA had negligible effects on heteroaggregation. Different from the effects of Al ions and NOMs on MnO2 reactivity, the MnO2 reactivity in ternary mixtures of Al2O3, MnO2, and NOM was mostly enhanced. This suggests MnO2 reactivity was mainly affected through heteroaggregation in the ternary mixtures because of the limited availability of Al ions. PMID:26845107

  5. Emergence of Photoautotrophic Minimal Protocell-Like Supramolecular Assemblies, "Jeewanu" Synthesied Photo Chemically in an Irradiated Sterilised Aqueous Mixture of Some Inorganic and Organic Substances

    NASA Astrophysics Data System (ADS)

    Gupta, Vinod Kumar

    2014-12-01

    Sunlight exposed sterilised aqueous mixture of ammonium molybdate, diammonium hydrogen phosphate, biological minerals and formaldehyde showed photochemical formation of self-sustaining biomimetic protocell-like supramolecular assemblies "Jeewanu" (Bahadur and Ranganayaki J Brit Interplanet Soc 23:813-829 1970). The structural and functional characteristics of Jeewanu suggests that in possible prebiotic atmosphere photosy nergistic collaboration of non-linear processes at mesoscopic level established autocatalytic pathways on mineral surfaces by selforganisation and self recognition and led to emergence of similar earliest energy transducing supramolecular assemblies which might have given rise to common universal ancestor on the earth or elsewhere.

  6. IDENTIFICATION AND EXPERIMENTAL DATABASE FOR BINARY AND MULTICOMPONENT MIXTURES WITH POTENTIAL FOR INCREASING OVERALL CYCLE EFFICIENCY

    SciTech Connect

    Stephen M Bajorek; J. Schnelle

    2002-05-01

    This report describes an experimental investigation designed to identify binary and multicomponent mixture systems that may be for increasing the overall efficiency of a coal fired unit by extracting heat from flue gases. While ammonia-water mixtures have shown promise for increasing cycle efficiencies in a Kalina cycle, the costs and associated range of thermal conditions involved in a heat recovery system may prohibit its use in a relatively low temperature heat recovery system. This investigation considered commercially available non-azeotropic binary mixtures with a boiling range applicable to a flue gas initially at 477.6 K (400 F) and developed an experimental database of boiling heat transfer coefficients for those mixtures. In addition to their potential as working fluids for increasing cycle efficiency, cost, ease of handling, toxicity, and environmental concerns were considered in selection of the mixture systems to be examined experimentally. Based on this review, water-glycol systems were identified as good candidates. However, previous investigations of mixture boiling have focused on aqueous hydrocarbon mixtures, where water is the heaviest component. There have been few studies of water-glycol systems, and those that do exist have investigated boiling on plain surfaces only. In water-glycol systems, water is the light component, which makes these systems unique compared to those that have been previously examined. This report examines several water-glycol systems, and documents a database of experimental heat transfer coefficients for these systems. In addition, this investigation also examines the effect of an enhanced surface on pool boiling in water-glycol mixtures, by comparing boiling on a smooth surface to boiling on a Turbo IIIB. The experimental apparatus, test sections, and the experimental procedures are described. The mixture systems tested included water-propylene glycol, water-ethylene glycol, and water-diethylene glycol. All experimental data were obtained at atmospheric pressure with the test section oriented horizontally. The effect of subcooling in pool boiling of mixtures is another area that has received limited attention. Therefore, experimental data were obtained for the water-propylene glycol and water-ethylene glycol systems for subcoolings ranging from 0 to 30 C. The experimental data showed that boiling heat transfer coefficients were found to have significant degradation due to the mixture effect for each of the water-glycol systems examined. This result is consistent with previous studies which examined water-hydrocarbon mixtures with large boiling ranges. The Turbo BIII surface was found to significantly increase heat transfer in each mixture and pure component in comparison to that for the smooth surface.

  7. PH-metric log P 11. pKa determination of water-insoluble drugs in organic solvent-water mixtures.

    PubMed

    Avdeef, A; Box, K J; Comer, J E; Gilges, M; Hadley, M; Hibbert, C; Patterson, W; Tam, K Y

    1999-08-01

    The apparent acid dissociation constants (p(s)Ka) of two water-insoluble drugs, ibuprofen and quinine, were determined pH-metrically in acetonitrile water, dimethylformamide water, dimethylsulfoxide water, 1,4-dioxane-water, ethanol water, ethylene glycol-water, methanol water and tetrahydrofuran water mixtures. A glass electrode calibration procedure based on a four-parameter equation (pH = alpha + SpcH + jH[H+]+jOH[OH-]) was used to obtain pH readings based on the concentration scale (pcH). We have called this four-parameter method the Four-Plus technique. The Yasuda Shedlovsky extrapolation (p(s)Ka + log [H2O] = A/epsilon + B) was used to derive acid dissociation constants in aqueous solution (pKa). It has been demonstrated that the pKa values extrapolated from such solvent water mixtures are consistent with each other and with previously reported measurements. The suggested method has also been applied with success to determine the pKa values of two pyridine derivatives of pharmaceutical interest. PMID:10704132

  8. Development of more efficacious Tc-99m organ imaging agents for use in nuclear medicine by analytical characterization of radiopharmaceutical mixtures

    SciTech Connect

    Heineman, W.R.

    1991-04-01

    Capillary electrophoresis is being evaluated as a separation technique for analyzing Tc and Re diphosphonate radiopharmaceuticals. Advantages compared with currently used HPLC techniques include greater resolving power, smaller sample size and more rapid separations. Feasibility has been demonstrated with electropherograms obtained on a Re-HEDP sample. The Tc-PAA complexes in a radiopharmaceutical mixture were found to be unaffected by injection into a Sprague Dawley rat. This was determined by HPLC analysis of the rat's urine, which contained the same complexes as were in the injected sample. Proton NMR spectra have been obtained for samples of Tc-MDP and Re-MDP in order to provide structural information about these complexes. An in vivo sensor is being developed for a brain perfusion agent. Polymer coatings are being explored to extract the brain perfusion agent in order to enhance sensitivity for a microelectrode-based sensor. 4 refs., 2 figs.

  9. Mixed-matrix membranes containing functionalized porous metal-organic polyhedrons for the effective separation of CO2-CH4 mixture.

    PubMed

    Ma, Jing; Ying, Yunpan; Yang, Qingyuan; Ban, Yujie; Huang, Hongliang; Guo, Xiangyu; Xiao, Yuanlong; Liu, Dahuan; Li, Yanshuo; Yang, Weishen; Zhong, Chongli

    2015-03-11

    To enhance dispersion and adhesion, functionalized porous metal-organic polyhedrons were incorporated into polysulfone as a filler to obtain mixed-matrix membranes, which exhibit largely improved gas permeability and separation factor simultaneously for CO2-CH4 separation. PMID:25669162

  10. DETERMINATION OF 2-METHYL TETROLS AND 2-METHYLGLYCERIC ACID IN SECONDARY ORGANIC AEROSOL FROM LABORATORY IRRADIATED ISOPRENE/NO X/SO 2/AIR MIXTURES

    EPA Science Inventory

    This presentation addresses recent work performed at EPA to evaluate the potential for the photooxidation of isoprene to produce secondary organic aerosol. Analysis of the samples for methyl tetrols and 2-methylglyceric acid were performed at EPA and the University of Antwerp. T...

  11. Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units.

    PubMed

    Yao, Zizhu; Zhang, Zhangjing; Liu, Lizhen; Li, Ziyin; Zhou, Wei; Zhao, Yunfeng; Han, Yu; Chen, Banglin; Krishna, Rajamani; Xiang, Shengchang

    2016-04-11

    Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5-triazole isophthalic acid in different solvents, two metal-organic frameworks (MOFs, FJU-21 and FJU-22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle-wheel {Cu2 (COO2 )4 } nodes and metal-ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU-21 and FJU-22 are the first examples in which the MOFs' robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU-22 a, which has higher surface area and gas uptakes than the flexible FJU-21 a. Importantly, FJU-22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU-22 a for 50:50 C2 H2 /CO2 mixtures is about twice that of the high-capacity HOF-3, and its actual separation selectivity for C2 H2 /C2 H4 mixtures containing 1 % acetylene is the highest among reported porous materials. Based on first-principles calculations, the extraordinary separation performance of C2 H2 for FJU-22 a was attributed to hydrogen-bonding interactions between the C2 H2 molecules with the open O donors on the wall, which provide better recognition ability for C2 H2 than other functional sites, including open metal sites and amino groups. PMID:26934040

  12. Generation of sub-ppb level vapor phase mixtures of biogenic volatile organic compounds from liquid phase standards and stepwise characterization of their volatilization properties by thermal desorption-gas chromatography-mass spectrometry.

    PubMed

    Iqbal, Mohammad Asif; Kim, Ki-Hyun

    2014-12-19

    In the analysis of biogenic volatile organic compounds (BVOCs) in ambient air, preparation of a sub-ppb level standard is an important factor. This task is very challenging as most BVOCs (e.g., monoterpenes) are highly volatile and reactive in nature. As a means to produce sub-ppb gaseous standards for BVOCs, we investigated the dynamic headspace (HS) extraction technique through which their vapors are generated from a liquid standard (mixture of 10 BVOCs: (1) α-pinene, (2) β-pinene, (3) 3-carene, (4) myrcene, (5) α-phellandrene, (6) α-terpinene, (7) R-limonene, (8) γ-terpinene, (9) p-cymene, and (10) Camphene) spiked into a chamber-style impinger. The quantification of BVOCs was made by collection on multiple-bed sorbent tubes (STs) and subsequent analysis by thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS). Using this approach, sub-ppb level mixtures of gaseous BVOCs were generated at different sweep cycles. The mean concentrations of 10 BVOCs generated from the most stable conditions (i.e., in the third sweep cycle) varied in the range of 0.37±0.05 to 7.27±0.86ppb depending on the initial concentration of liquid standard spiked into the system. The reproducibility of the gaseous BVOCs generated as mixture standards, if expressed in terms of relative standard error using the concentration datasets acquired under stable conditions, ranged from 1.64 (α-phellandrene) to 9.67% (R-limonene). PMID:25464998

  13. New model that describes adsorption of laterally interacting gas mixtures on random heterogeneous surfaces. 2: Correlation of complex binary and prediction of multicomponent adsorption equilibria

    SciTech Connect

    Al-Muhtaseb, S.A.; Ritter, J.A.

    1999-10-26

    The model developed in part 1 of this series for correlating single component and rather ideal binary adsorption equilibria demonstrated a remarkable ability for correlating complex binary adsorption equilibria, including adsorption azeotropes and sigmoidal-shaped x-y diagrams, using a single binary fitting parameter. This model was also extended successfully for predicting multicomponent adsorption equilibria on a heterogeneous adsorbent surface with a uniform distribution of Henry's law constant using single component adsorption isotherm parameters, along with one binary fitting parameter from each of the binary pairs in the multicomponent mixture. Overall, the results from this new model generally showed a marked improvement in the correlation of binary and prediction of multicomponent adsorption equilibria compared to that obtained with the multicomponent Langmuir model, which used only single component isotherm parameters, and compared to that obtained with two-dimensional fluid and loading ratio correlation models that also utilized binary fitting parameters.

  14. Organics.

    ERIC Educational Resources Information Center

    Chian, Edward S. K.; DeWalle, Foppe B.

    1978-01-01

    Presents water analysis literature for 1978. This review is concerned with organics, and it covers: (1) detergents and surfactants; (2) aliphatic and aromatic hydrocarbons; (3) pesticides and chlorinated hydrocarbons; and (4) naturally occurring organics. A list of 208 references is also presented. (HM)

  15. Single stage desulfurization of both organic and inorganic sulfur from Midwestern U.S. coals by binary mixtures of supercritical fluids

    SciTech Connect

    Azzam, F.O.; Lee, S.

    1993-12-31

    High sulfur containing Midwestern U.S. coals contain 3-7 percent sulfur by mass, which mainly consists of substantial amounts of organic, pyritic, and sulfatic sulfur forms. In order to meet the strict emission requirements imposed on coal burning utilities by the Clean Air Act Amendments of 1990, coals with high sulfur content must be cleaned before, during, or after combustion. Depending upon the mode of desulfurization, the methods may be classified as precombustion, concurrent, and post-combustion cleaning. The present study deals with a novel, precombustion coal cleaning process that has a unique feature in its process technology. Removal of pyritic sulfur has always been considered successful, since the gravitational separation technique has proven to be quite efficient. Despite the relative success of such operations, however, the efficiency of this type of desulfurization is grossly insufficient for the new compliance coal requirements that mandate SO{sub x} emission to be lower than 1.2 lb per one million BTU. The problem is normally more complicated due to the high abundance of organic sulfur in Midwestern and Eastern U.S. coals. There have been various attempts to selectively remove organic sulfur from coals. They normally involve solvent extraction processes, and once they are found to be successful they are coupled with gravitation separation of pyritic sulfur.

  16. Mixtures of quaternary ammonium compounds and anionic organic compounds in the aquatic environment: Elimination and biodegradability in the closed bottle test monitored by LC-MS/MS.

    PubMed

    Sütterlin, H; Alexy, R; Coker, A; Kümmerer, K

    2008-06-01

    Quaternary ammonium compounds (QACs) are widely used as disinfectants, detergents and fabric softeners. Anionic detergents are one of the most widely used chemical substances. QACs and anionic surfactants can form ionic pairs. In the present study we investigated the biodegradability of QACs in the presence of different anionic surfactants. The biodegradability of three QACs, namely benzalkonium chloride (BAC), didecyldimethylammonium chloride (DDMAC) and ethacridine lactate (EL), when applied as single substances and in combination with anionic surfactants such as benzene sulfonic acid (BSA), LAS, naphthalene sulfonic acid (NSA) and sodium dodecylsulfonate (SDS) was studied applying the closed bottle test (CBT) [OECD 301D, 1992. Guidelines for Testing of Chemicals. Closed bottle test. Organisation of Economic Cooperation and Development, Paris] at a ratio of 1:1 (mol:mol). Biodegradation was monitored by measuring oxygen concentration in the test vessels with an oxygen electrode in accordance with international standard methods [ISO 5414, 1990. Water quality - determination of dissolved oxygen. In: German Standard Methods for the Examination of Water, Wastewater and Sludge. VCH Verlagsgesellschaft, Weinheim, New York, Basel Cambridge]. Primary elimination of the QACs and of LAS was monitored by LC-MS/MS. There was little biodegradability of the QACs as either single compounds or in the presence of organic counter ions. The biodegradability of the organic counter ions was lower in the presence of QACs as compared to the single substances. Primary elimination of the QACs by sorption took place. PMID:18439651

  17. Mixtures Research at NIEHS: An Evolving Program

    PubMed Central

    Rider, Cynthia V; Carlin, Danielle J; DeVito, Micheal J; Thompson, Claudia L; Walker, Nigel J

    2014-01-01

    The National Institute of Environmental Health Sciences (NIEHS) has a rich history in evaluating the toxicity of mixtures. The types of mixtures assessed by the Division of the National Toxicology Program (DNTP) and the extramural community (through the Division of Extramural Research and Training (DERT)) have included a broad range of chemicals and toxicants, with each study having a unique set of questions and design considerations. Some examples of the types of mixtures studied include: groundwater contaminants, pesticides/fertilizers, dioxin-like chemicals (assessing the toxic equivalency approach), drug combinations, air pollution, metals, polycyclic aromatic hydrocarbons, technical mixtures (e.g. pentachlorophenol, flame retardants), and mixed entities (e.g. herbals, asbestos). These endeavors have provided excellent data on the toxicity of specific mixtures and have been informative to the human health risk assessment process in general (e.g. providing data on low dose exposures to environmental chemicals). However, the mixtures research effort at NIEHS, to date, has been driven by test article nominations to the DNTP or by investigator-initiated research through DERT. Recently, the NIEHS has embarked upon an effort to coordinate mixtures research across both intramural and extramural divisions in order to maximize mixtures research results. A path forward for NIEHS mixtures research will be based on feedback from a Request for Information (RFI) designed to gather up-to-date views on the knowledge gaps and roadblocks to evaluating mixtures and performing cumulative risk assessment, and a workshop organized to bring together mixtures experts from risk assessment, exposure science, biology, epidemiology, and statistics. The future of mixtures research at NIEHS will include projects from nominations to DNTP, studies by extramural investigators, and collaborations across government agencies that address high-priority questions in the field of mixtures research. PMID:23146757

  18. Correlation of refrigerant mass flow rate through adiabatic capillary tubes using mixture refrigerant carbondioxide and ethane for low temperature applications

    NASA Astrophysics Data System (ADS)

    Nasruddin, Syaka, Darwin R. B.; Alhamid, M. Idrus

    2012-06-01

    Various binary mixtures of carbon dioxide and hydrocarbons, especially propane or ethane, as alternative natural refrigerants to Chlorofluorocarbons (CFCs) or Hydro fluorocarbons (HFCs) are presented in this paper. Their environmental performance is friendly, with an ozone depletion potential (ODP) of zero and Global-warming potential (GWP) smaller than 20. The capillary tube performance for the alternative refrigerant HFC HCand mixed refrigerants have been widely studied. However, studies that discuss the performance of the capillary tube to a mixture of natural refrigerants, in particular a mixture of azeotrope carbon dioxide and ethane is still undeveloped. A method of empirical correlation to determine the mass flow rate and pipe length has an important role in the design of the capillary tube for industrial refrigeration. Based on the variables that effect the rate of mass flow of refrigerant in the capillary tube, the Buckingham Pi theorem formulated eight non-dimensional parameters to be developed into an empirical equations correlation. Furthermore, non-linear regression analysis used to determine the co-efficiency and exponent of this empirical correlation based on experimental verification of the results database.

  19. Toxicology of chemical mixtures: international perspective.

    PubMed Central

    Feron, V J; Cassee, F R; Groten, J P

    1998-01-01

    This paper reviews major activities outside the United States on human health issues related to chemical mixtures. In Europe an international study group on combination effects has been formed and has started by defining synergism and antagonism. Successful research programs in Europe include the development and application of statistically designed experiments combined with multivariate data analysis and modeling in vitro and in vivo studies on a wide variety of chemicals such as petroleum hydrocarbons, aldehydes, food contaminants, industrial solvents, and mycotoxins. Other major activities focus on the development of safety evaluation strategies for mixtures such as the use of toxic equivalence factors or alternatives such as the question-and-answer approach, fractionation followed by recombination of the mixture in combination with a mixture design, and quantitative structure-activity relationship analysis combined with lumping analysis and physiologically based pharmacokinetic/pharmacodynamic modeling for studying complex mixtures. A scheme for hazard identification and risk assessment of complex mixtures and a consistent way to generate total volatile organic compound values for indoor air have also been developed. Examples of other activities are carcinogenicity studies on complex mixtures (petroleum middle distillates, foundry fumes, pesticides, heterocyclic amines, diesel exhaust, solid particles), neurotoxicity studies of mixtures of solvents alone or in combination with exposure to physical factors, and toxicity studies of outdoor air pollutants, focusing on particulates. Outside the United States, toxicologists and regulators clearly have a growing interest in the toxicology and risk assessment of chemical mixtures. PMID:9860882

  20. Remediation of the effect of adding cyanides on an algal/bacterial treatment of a mixture of organic pollutants in a continuous photobioreactor.

    PubMed

    Essam, Tamer; ElRakaiby, Marwa; Agha, Azza

    2014-09-01

    The effect of inorganic pollutants on the treatment of organic pollutants using algal/bacterial microcosm was investigated in a continuous photobioreactor. The microcosm was composed of Chlorella vulgaris MM1 and Pseudomonas MT1 and was able to efficiently treat artificial waste-water contaminated with 6.4 salicylate and 2.2 mM phenol at a hydraulic retention time of 4 days. No negative effect was recorded when the waste-water was supplemented with 1.6 mM thiocyanate; however, the treatment efficiency severely deteriorated when the system was challenged with 0.74 mM cyanide. Addition of 2 g NaHCO3 l(-1) did not improve the efficiency of the treatment. Toxicity of the pollutants to the alga was cyanide > thiocyanate > phenol > salicylate. The high toxicity of the waste-water was eliminated either by a 25-fold dilution or by photocatalytic pre-treatment which allowed the subsequent efficient biological treatment. PMID:24930096

  1. First direct observation of secondary organic aerosol formation during cloud condensation-evaporation cycles in isoprene photo-oxidation reacting mixtures (CUMULUS project)

    NASA Astrophysics Data System (ADS)

    Brégonzio-Rozier, Lola; Siekmann, Frank; Giorio, Chiara; Temime-Roussel, Brice; Pangui, Edouard; Morales, Sébastien; Ravier, Sylvain; Monod, Anne; Doussin, Jean-François

    2014-05-01

    Several field observations, laboratory and model studies suggest a potentially important role of cloud droplets in forming additional secondary organic aerosol (SOA) (Sorooshian et al., 2007; Altieri et al., 2008; Couvidat et al., 2013). While this SOAaq hypothesis seems to be robust and is considered quite established, so far, no direct observations of such a process have been provided. Recently a consortium of five laboratories has joined theirs efforts in a series of experimental simulation experiments to try to bring a direct confirmation of this hypothesis: the CUMULUS project (CloUd MULtiphase chemistry of organic compoUndS in the troposphere). The aim of the present work is to study SOA formation from isoprene photo-oxidation during cloud condensation-evaporation cycles. The chemistry occurring in the gaseous, particulate and aqueous phases, and the exchange between these phases were investigated through an original multiphase approach in a simulation chamber. Experiments were performed in the CESAM chamber (Wang et al., 2011) which was designed to investigate multiphase processes under realistic actinic flux, and accurate control of both temperature and relative humidity. A protocol was designed to generate cloud events in the simulation chamber, it has allowed us to generate clouds lasting for ca. 10 minutes in the presence of light and many clouds could be generated in a single experiment. Connected to the chamber, a large panel of instruments was used to monitor the gas-phase and the particulate phase during experiments. Gas-phase composition was analyzed in-situ via a Fourier Transform Infrared Spectrometer (FTIR) and a Proton Transfer Reaction Mass Spectrometer (PTR-TOF-MS) as well as NOx and O3 analyzers. A Scanning Mobility Particle Sizer (SMPS) measured dried SOA size distributions and total concentrations inside the chamber. An Aerodyne High Resolution Time-Of-Flight Aerosol Mass Spectrometer (HR-TOF-AMS) was also used to investigate aerosol composition. Cloud droplets size distributions were measured by a white light Optical Particle Counter (OPC). In each experiment, around 800 ppb of isoprene was injected in the chamber together with HONO under dry conditions before irradiation. In all experiments, the impact of the cloud generation on the gaseous and particulate phases has been highlighted, suggesting a significant production of SOA from isoprene photo-oxidation by interactions with cloud droplets. The overall results in additional SOA mass production, the dynamic of its mass concentration and some insight of its chemical composition will be presented. Altieri, K. et al. (2008). Atmospheric Environment 42(7): 1476-1490. Couvidat, F. et al. (2013). Environmental Science & Technology 47(2): 914-922. Sorooshian, A. et al. (2007). Environmental Science & Technology 41(13): 4647-4654. Wang, J. et al. (2011). Atmospheric Measurement Techniques 4(11): 2465-2494.

  2. Occupational exposure to complex mixtures of volatile organic compounds in ambient air: desorption from activated charcoal using accelerated solvent extraction can replace carbon disulfide?

    PubMed

    Fabrizi, Giovanni; Fioretti, Marzia; Rocca, Lucia Mainero

    2013-01-01

    A desorption study of 57 volatile organic compounds (VOCs) has been conducted by use of accelerated solvent extraction (ASE) and gas chromatography-mass spectrometry. Different solvents were tested to extract activated charcoal tubes with the objective of replacing carbon disulfide, used in official methods, because of its highly toxic health and environmental effects. Extraction conditions, for example temperature and number of cycles, were investigated and optimized. The definitive extraction procedure selected was use of acetone at 150 °C and two consecutive extraction cycles at a pressure of 1,500 psi. Considering a sample volume of 0.005 Nm(3), corresponding to a sampling time of 8 h at a flow rate of 0.01 L min(-1), the method was validated over the concentration range 65-26,300 μg Nm(-3). The lowest limit of quantification was 6 μg Nm(-3), and recovery for the 93 % of analytes ranged from 65 to 102 %. For most of the compounds, relative standard deviations were less than 15 % for inter and intra-day precision. Uncertainty of measurement was also determined: the relative expanded uncertainty was always below 29.6 %, except for dichlorodifluoromethane. This work shows that use of friendlier solvent, for example acetone, coupled with use of ASE, can replace use of CS(2) for chemical removal of VOCs from activated charcoal. ASE has several advantages over traditional solvent-extraction methods, including shorter extraction time, minimum sample manipulation, high reproducibility, and less extraction discrimination. No loss of sensitivity occurs and there is also a salutary effect on bench workers' health and on the smell of laboratory air. PMID:22968683

  3. Inhibition of Listeria monocytogenes in full- and low-sodium frankfurters at 4, 7, or 10C using spray-dried mixtures of organic acid salts.

    PubMed

    Sansawat, Thanikarn; Zhang, Lei; Jeong, Jong Y; Xu, Yanyang; Hessell, Gerald W; Ryser, Elliot T; Harte, Janice B; Tempelman, Robert; Kang, Iksoon

    2013-09-01

    In meat processing, powdered ingredients are preferred to liquids because of ease of handling, mixing, and storing. This study was conducted to assess Listeria monocytogenes inhibition and the physicochemical and organoleptic characteristics of frankfurters that were prepared with organic acid salts as spray-dried powders (sodium lactate-sodium acetate, sodium lactate-sodium acetate-sodium diacetate, and potassium acetate-potassium diacetate) or liquids (sodium lactate, sodium lactate-sodium diacetate, potassium lactate, and potassium lactate-sodium diacetate). Full-sodium (1.8% salt) and low-sodium (1.0% salt) frankfurters were prepared according to 10 and 5 different formulations (n = 3), respectively, and were dip inoculated with a six-strain cocktail of L. monocytogenes (?4 log CFU/g). Populations of Listeria and mesophilic aerobic bacteria were quantified during storage at 4, 7, and 10C for up to 90 days. Four powder and two liquid full-sodium formulations and one powder low-sodium formulation, all of which contained diacetate except for 1% sodium lactate-sodium acetate powder, completely inhibited Listeria growth at 4C. However, Listeria grew in full-sodium formulations at 10C and in low-sodium formulations at 7 and 10C except for the formulation containing 0.8% potassium acetate-0.2% potassium diacetate powder. All formulations were similar in terms of water activity, cooking yield, moisture, and protein content. Sodium content and pH were affected by the concentrations of sodium and diacetate, respectively. Frankfurter appearance, texture, flavor, and overall acceptability were similar (P > 0.05) regardless of the formulation, except for flavor and overall acceptability of the low-sodium formulation containing potassium acetate-potassium diacetate. Based on these findings, cosprayed powders appear to be a viable alternative to current liquid inhibitors for control of Listeria in processed meats. PMID:23992500

  4. Method of extracting iodine from liquid mixtures of iodine, water and hydrogen iodide

    DOEpatents

    Mysels, Karol J.

    1979-01-01

    The components of a liquid mixture consisting essentially of HI, water and at least about 50 w/o iodine are separated in a countercurrent extraction zone by treating with phosphoric acid containing at least about 90 w/o H.sub.3 PO.sub.4. The bottom stream from the extraction zone is substantially completely molten iodine, and the overhead stream contains water, HI, H.sub.3 PO.sub.4 and a small fraction of the amount of original iodine. When the water and HI are present in near-azeotropic proportions, there is particular advantage in feeding the overhead stream to an extractive distillation zone wherein it is treated with additional concentrated phosphoric acid to create an anhydrous HI vapor stream and bottoms which contain at least about 85 w/o H.sub.3 PO.sub.4. Concentration of these bottoms provides phosphoric acid infeed for both the countercurrent extraction zone and for the extractive distillation zone.

  5. Symmetric normal mixtures

    NASA Technical Reports Server (NTRS)

    Turmon, Michael

    2004-01-01

    We consider mixture density estimation under the symmetry constraint x = Az for an orthogonal matrix A. This distributional constraint implies a corresponding constraint on the mixture parameters. Focusing on the gaussian case, we derive an expectation-maximization (EM) algorithm to enforce the constraint and show results for modeling of image feature vectors.

  6. Perception of trigeminal mixtures.

    PubMed

    Filiou, Renée-Pier; Lepore, Franco; Bryant, Bruce; Lundström, Johan N; Frasnelli, Johannes

    2015-01-01

    The trigeminal system is a chemical sense allowing for the perception of chemosensory information in our environment. However, contrary to smell and taste, we lack a thorough understanding of the trigeminal processing of mixtures. We, therefore, investigated trigeminal perception using mixtures of 3 relatively receptor-specific agonists together with one control odor in different proportions to determine basic perceptual dimensions of trigeminal perception. We found that 4 main dimensions were linked to trigeminal perception: sensations of intensity, warmth, coldness, and pain. We subsequently investigated perception of binary mixtures of trigeminal stimuli by means of these 4 perceptual dimensions using different concentrations of a cooling stimulus (eucalyptol) mixed with a stimulus that evokes warmth perception (cinnamaldehyde). To determine if sensory interactions are mainly of central or peripheral origin, we presented stimuli in a physical "mixture" or as a "combination" presented separately to individual nostrils. Results showed that mixtures generally yielded higher ratings than combinations on the trigeminal dimensions "intensity," "warm," and "painful," whereas combinations yielded higher ratings than mixtures on the trigeminal dimension "cold." These results suggest dimension-specific interactions in the perception of trigeminal mixtures, which may be explained by particular interactions that may take place on peripheral or central levels. PMID:25500807

  7. SEPARATION OF FLUID MIXTURES

    DOEpatents

    Lipscomb, R.; Craig, A.; Labrow, S.; Dunn, J.F.

    1958-10-28

    An apparatus is presented for separating gaseous mixtures by selectively freezing a constituent of the mixture and subsequently separating the frozen gas. The gas mixture is passed through a cylinder fltted with a cooling jacket, causing one gas to freeze on the walls of the cylinder. A set of scraper blades are provided in the interior of the cyllnder, and as the blades oscillate, the frozen gas is scraped to the bottom of the cylinder. Means are provided for the frozen material to pass into a heating chamber where it is vaporized and the product gas collected.

  8. Investigations of reversible thermochromic mixtures

    NASA Astrophysics Data System (ADS)

    MacLaren, Douglas C.

    Three-component organic thermochromic systems have potential applications in reversible, rewritable thermal printing. In principle, such mixtures could maintain a coloured or non-coloured state at ambient temperature depending on their thermal treatment. These systems generally consist of a functional dye (1--3 mol%), a weakly acidic colour developer (5--25 mol%), and a high-melting organic solvent (75--90 mol%). Colour development occurs at the fusion temperature of the mixture, which triggers the interaction of the dye and developer. Slow cooling of the melt results in an equilibrium state with low colour density, whereas rapid cooling of the melt results in a metastable state with high colour density. The metastable state can be decoloured by heating to an intermediate decolourisation temperature at which the coloured state becomes unstable. Barriers to the widespread use of reversible, rewritable thermochromic materials include problems with colour contrast, colour stability, and decolourisation rates. Development is hindered by a lack of detailed knowledge of the interactions between components in these systems. In this study the developer-dye and developer-solvent interactions were examined for an archetypal dye/developer/solvent thermochromic system. Vibrational spectroscopy, NMR, and thermal analysis were used to examine compounds formed in developer/dye and developer/solvent binary mixtures. Rewritable thermochromic properties such as metastable colour density, equilibrium colour density, and decolourisation rates were examined and discussed in terms of the thermodynamics of the developer/dye and developer/solvent interactions. Observed thermochromic properties are shown to be strongly correlated to a competition between the dye and the solvent for interaction with the developer. Increasing the attractive interaction between the solvent and developer results in enhanced rewritable thermochromic properties.

  9. Methods of increasing net work output of organic Rankine cycles for low-grade waste heat recovery with a detailed analysis using a zeotropic working fluid mixture and scroll expander

    NASA Astrophysics Data System (ADS)

    Woodland, Brandon Jay

    An organic Rankine cycle (ORC) is a thermodynamic cycle that is well-suited for waste heat recovery. It is generally employed for waste heat with temperatures in the range of 80 °C -- 300 °C. When the application is strictly to convert waste heat into work, thermal efficiency is not recommended as a key performance metric. In such an application, maximization of the net power output should be the objective rather than maximization of the thermal efficiency. Two alternative cycle configurations that can increase the net power produced from a heat source with a given temperature and flow rate are proposed and analyzed. These cycle configurations are 1) an ORC with two-phase flash expansion and 2) an ORC with a zeotropic working fluid mixture (ZRC). A design-stage ORC model is presented for consistent comparison of multiple ORC configurations. The finite capacity of the heat source and heat sink fluids is a key consideration in this model. Of all working fluids studied for the baseline ORC, R134a and R245fa yield the highest net power output from a given heat source. Results of the design-stage model indicate that the ORC with two-phase flash expansion offers the most improvement over the baseline ORC. However, the level of improvement that could be achieved in practice is highly uncertain due to the requirement of highly efficient two-phase expansion. The ZRC shows improvement over the baseline as long as the condenser fan power requirement is not negligible. At the highest estimated condenser fan power, the ZRC shows the most improvement, while the ORC with flash expansion is no longer beneficial. The ZRC was selected for detailed study because it does not require two-phase expansion. An experimental test rig was used to evaluate baseline ORC performance with R134a and with R245fa. The ZRC was tested on the same rig with a mixture of 62.5% R134a and 37.5% R245fa. The tested expander is a minimally-modified, of-the-shelf automotive scroll compressor. The high performance to cost ratio of this machine lends significant credence to the economic viability of small-scale, low-temperature ORCs. The experimental campaign covered two heat source temperatures, the full range of pump and expander speeds, a full range of heat source and heat sink fluid flow rates, and various charge levels for the three working fluids. This resulted in 366 steady-state measurements. The steady state measurements are used to develop a detailed ORC model. The model is based on multi-fluid performance maps for the pump and expander and a robust moving-boundary heat exchanger model. It is validated against the measured data and predicts the net power output of the tested ORC with a mean absolute percent error of 7.16%. Comparisons made with the detailed model confirm the predictions of the design-stage model. Using a conservative estimate of the condenser fan power, 19.1% improvement of the ZRC over the baseline ORC is indicated for a source temperature of 80 °C. For a 100 °C source temperature, 13.8% improvement is indicated. A key feature of the detailed ORC model is that it calculates the charge inventory of the working fluid in each heat exchanger and line set. Total system charge can also be specified as a model input. The model can represent the total charge well for R134a at low measured charge levels. As the measured charge level increases, the model becomes less accurate. Reasons for the deviation of the model at higher charge are investigated. It is expected that a charge tuning scheme could be employed to improve the accuracy of model-predicted charge.

  10. Photoisomerization- and photopolymerization-induced phase transitions in mixtures of photoresponsive chromophores and reactive mesogens

    NASA Astrophysics Data System (ADS)

    Kim, Namil

    Phase diagram of various blend systems containing photochromophores and reactive mesogenic diacrylate monomers has been constructed both experimentally and theoretically. Differential scanning calorimetry was commonly utilized to determine phase transition temperature, and theoretical curve was obtained by solving self-consistently the combined free energy of Flory-Huggins, Maier-Saupe, and phase field theory. Depending on the system, it exhibited various single and coexistence phases including crystal, nematic, crystal + isotropic, nematic + isotropic, crystal + nematic, and crystal + crystal. Guided by the phase diagram, we further investigated (i) self-motion of azobenzene chromophore (AC) in triacrylate (TA) solution, (ii) photoisomerization-induced phase transition of liquid crystalline azobenzene (LCAC) and spiropyran (SP) chromophore in its mixtures with reactive mesogenic diacrylate (RMDA), and (iii) photopolymerization-induced phase separation of RMDA/low molecular weight liquid crystal (LMWLC) blends. Self-motion of AC single crystal in TA solution was investigated in relation to the solid-liquid phase diagram. Upon thermal quenching from the isotropic melt to the crystal + liquid gap, the concentration gradient that formed as the result of TA expulsion induced convective flows and generated spatial variability of surface tension usually responsible for Marangoni effect. A stationary rhomboidal crystal was also shown to swim upon irradiation with UV light due to mechanical torque generated by trans-cis isomerization. The trans-cis photoisomerization of LCAC not only exerted a dramatic effect on the mesophase transitions, but also on the stratification on the crystal morphology. The phase diagram of photoisomerized mixtures displayed a significant depression of nematic ordering. Meanwhile, spiropyran-merocyanine molecular shape change induced the I-N phase transition, which was infusible. Upon photopolymerization of RMDA/LMWLC blends, the homogeneous mixtures underwent phase separation. As the crystalline and nematic ordering of monomeric unit was frozen, LMWLC was dispersed in the continuum of isotropic or anisotropic networks. Phase diagram exhibited the broad immiscible regions. The phase diagram of annealed hyperbranched polymer/LMWLC mixtures was an upper azeotrope, exhibiting the coexistence of nematic + isotropic phase above the clearing temperature of neat LMWLC. With decreasing temperature a focal-conic fan shaped texture developed in the composition range of 63~93 wt %, suggestive of induced smectic phase in the mixture.

  11. SHORT-TERM BIOASSAYS IN THE ANALYSIS OF COMPLEX ENVIRONMENTAL MIXTURES V

    EPA Science Inventory

    Topics presented in the book are: new chemical and biological methods in complex mixture research; molecular dosimetry as applied to complex mixtures; integrated in-situ monitoring; genotoxicology of aquatic organisms; atmospheric transportation processes in the production of gen...

  12. MIXTURES FEASIBILITY STUDY

    EPA Science Inventory

    A number of studies have been conducted to address questions concerning the toxicity of "real world" mixtures of DBPs. These studies, which used either concentrates of drinking water or humic acid preparations treated with various disinfectants, were largely negative and had a nu...

  13. Development of more efficacious TC-99M organ imaging agents for use in nuclear medicine by analytical characterization of radiopharmaceutical mixtures. Progress report, May 1, 1983-April 1, 1984

    SciTech Connect

    Heineman, W.R.

    1984-01-01

    It has been demonstrated that formulation variables (pH, TcO/sub 4//sup -/ concentration, and ligand-to-metal ratio) influence the chromatographic distribution of the components of a Tc-hydroxyethylidene diphosphonate (HEDP) mixture prepared by the NaBH/sub 4/ reduction of TcO/sub 4//sup -/ in the presence of HEDP. The use of alternate reductants for TcO/sub 4//sup -/ (i.e., SnCl/sub 2/, and electrode) not only alters the relative proportion of the Tc-HEDP components formed, but produces new complexes not previously seen (based on chromatographic retention time data). Thus, a systematic evaluation has been undertaken of the SnCl/sub 2/ and electrochemical reduction preparations that is similar to that conducted for Tc(NaBH/sub 4/)-HEDP mixtures. High performance liquid chromatography with electrochemical detection has been utilized to separate components of a Tc(NaBH4)-methylene diphosphonate mixture. All Tc components of the mixture are reducible at a mercury electrode and hydrodynamic voltammetric data is being generated. Stripping chronocoulometry has been developed as a novel variation of anodic stripping voltammetry in order to increase precision in the analytical determination of TcO/sub 4//sup -/ in aqueous solution. Pilot studies to evaluate the operating parameters of /sup 99/Mo//sup 99m/Tc/ generators and to investigate two new diphosphonate ligands in the preparation of technetium skeletal imaging radiopharmaceutical analogs have been initiated.

  14. Perception of odor blending mixtures in the newborn rabbit.

    PubMed

    Coureaud, Gérard; Thomas-Danguin, Thierry; Le Berre, Elodie; Schaal, Benoist

    2008-09-01

    In adult mammals, the processing of complex odor mixtures is elemental or configural. Here, we challenged these processes in newborn rabbits, in evaluating their perception of a binary odor mixture for which perceptual blending occurs in humans. This model of newborn animal was interesting since general questions remain on how odor cues are processed in immature organisms, and since rabbit pups present abilities of rapid odor learning. In the present study, we first demonstrated (Exp. 1) that rabbit pups rapidly acquired the odor of the binary mixture through associative conditioning (when the mammary pheromone was used as unconditioned stimulus). Then, we compared how they responded to the mixture, its components and the mammary pheromone, after they had learned the mixture or one of its constituents. After they had learned the odor of the mixture, they responded to its odor and the odor of its constituents (Exp. 2). However, after they had learned one constituent's odor, they responded to this odor but not to the mixture's odor (Exp. 3). The response to the mixture appeared nevertheless when pups successively acquired the odor of the two components (Exp. 4). Therefore, both elemental and configural processing of the mixture seem to be displayed by rabbit pups, suggesting that neonatal perception of a simple odor mixture may involve more than the perception of its constituents. PMID:18586286

  15. Binomial Gaussian mixture filter

    NASA Astrophysics Data System (ADS)

    Raitoharju, Matti; Ali-Löytty, Simo; Piché, Robert

    2015-12-01

    In this work, we present a novel method for approximating a normal distribution with a weighted sum of normal distributions. The approximation is used for splitting normally distributed components in a Gaussian mixture filter, such that components have smaller covariances and cause smaller linearization errors when nonlinear measurements are used for the state update. Our splitting method uses weights from the binomial distribution as component weights. The method preserves the mean and covariance of the original normal distribution, and in addition, the resulting probability density and cumulative distribution functions converge to the original normal distribution when the number of components is increased. Furthermore, an algorithm is presented to do the splitting such as to keep the linearization error below a given threshold with a minimum number of components. The accuracy of the estimate provided by the proposed method is evaluated in four simulated single-update cases and one time series tracking case. In these tests, it is found that the proposed method is more accurate than other Gaussian mixture filters found in the literature when the same number of components is used and that the proposed method is faster and more accurate than particle filters.

  16. Evaluating Whole Chemical Mixtures and Sufficient Similarity

    EPA Science Inventory

    This powerpoint presentation supports apresentation describing dose-response assessment for complex chemical mixtures including deriving reference doses for mixtures evaluating sufficient similarity among chemical mixtures.

  17. Zwanzig model of multi-component mixtures of biaxial particles: y3 theory re-visited

    NASA Astrophysics Data System (ADS)

    Sokolova, E. P.; Tumanyan, N. P.; Vlasov, A. Yu.; Masters, A. J.

    The paper considers the thermodynamic and phase ordering properties of a multi-component Zwanzig mixture of hard rectangular biaxial parallelepipeds. An equation of state (EOS) is derived based on an estimate of the number of arrangements of the particles on a three- dimensional cubic lattice. The methodology is a generalization of the Flory-DiMarzio counting scheme, but, unlike previous work, this treatment is thermodynamically consistent. The results are independent of the order in which particles are placed on the lattice. By taking the limit of zero lattice spacing, a translationally continuous variant of the model (the off-lattice variant) is obtained. The EOS is identical to that obtained previously by a wide variety of different approaches. In the off-lattice limit, it corresponds to a third-level y-expansion and, in the case of a binary mixture of square platelets, it also corresponds to the EOS obtained from fundamental measure theory. On the lattice it is identical to the EOS obtained by retaining only complete stars in the virial expansion. The off-lattice theory is used to study binary mixtures of rods (R1 - R2) and binary mixtures of platelets (P1 - P2). The particles were uniaxial, of length (thickness) L and width D. The aspect ratios Γi = Li/Di of the components were kept constant (Γ1R = 15, Γ1P = 1/15 and Γ2R = 150, Γ2P = 1/150), so the second virial coefficient of R1 was identical to P1 and similarly for R2 and P2. The volume ratio of particles 1 and 2, v1/v2, was then varied, with the constraints that viR = viP and ILM0001. Results on nematic-isotropic (N - I) phase coexistence at an infinite dilution of component 2, are qualitatively similar for rods and platelets. At small values of the ratio v1/v2, the addition of component 2 (i.e. a thin rod (e.g. a polymer) or a thin plate) results in the stabilization of the nematic phase. For larger values of v1/v2, however, this effect is reversed and the addition of component 2 destabilizes the nematic. For similar molecular volumes of the two components strong fractionation is observed: shorter rods and thicker platelets congregate in the isotropic phase. In general, the stabilization of the ordered phase and the fractionation between the phases are both weaker in the platelet mixtures. The calculated spinodal curves for isotropic-isotropic demixing are noticeably different between the R1 - R2 and the P1 - P2 systems. The platelet mixtures turn out to be stable with respect to de-mixing up to extremely high densities. The values of the consolute points for the R1 - R2 blends are remarkably similar to those obtained using the Parsons-Lee approximation for bi-disperse mixtures of freely rotating cylinders with similar aspect ratios [S. Varga. A. Galindo, G. Jackson, Mol. Phys., 101, 817 (2003)]. In a number of R1 - R2 mixtures, phase diagrams exhibiting both N - I equilibrium and I - I de-mixing were calculated. The latter is pre-empted by nematic ordering in all the cases studied. Calculations show the possible appearance of azeotropes in the N - I coexistence domain.

  18. Oxidative particle mixtures for groundwater treatment

    DOEpatents

    Siegrist, Robert L.; Murdoch, Lawrence C.

    2000-01-01

    The invention is a method and a composition of a mixture for degradation and immobilization of contaminants in soil and groundwater. The oxidative particle mixture and method includes providing a material having a minimal volume of free water, mixing at least one inorganic oxidative chemical in a granular form with a carrier fluid containing a fine grained inorganic hydrophilic compound and injecting the resulting mixture into the subsurface. The granular form of the inorganic oxidative chemical dissolves within the areas of injection, and the oxidative ions move by diffusion and/or advection, therefore extending the treatment zone over a wider area than the injection area. The organic contaminants in the soil and groundwater are degraded by the oxidative ions, which form solid byproducts that can sorb significant amounts of inorganic contaminants, metals, and radionuclides for in situ treatment and immobilization of contaminants. The method and composition of the oxidative particle mixture for long-term treatment and immobilization of contaminants in soil and groundwater provides for a reduction in toxicity of contaminants in a subsurface area of contamination without the need for continued injection of treatment material, or for movement of the contaminants, or without the need for continuous pumping of groundwater through the treatment zone, or removal of groundwater from the subsurface area of contamination.

  19. Bayesian mixture analysis for metagenomic community profiling

    PubMed Central

    Morfopoulou, Sofia; Plagnol, Vincent

    2015-01-01

    Motivation: Deep sequencing of clinical samples is now an established tool for the detection of infectious pathogens, with direct medical applications. The large amount of data generated produces an opportunity to detect species even at very low levels, provided that computational tools can effectively profile the relevant metagenomic communities. Data interpretation is complicated by the fact that short sequencing reads can match multiple organisms and by the lack of completeness of existing databases, in particular for viral pathogens. Here we present metaMix, a Bayesian mixture model framework for resolving complex metagenomic mixtures. We show that the use of parallel Monte Carlo Markov chains for the exploration of the species space enables the identification of the set of species most likely to contribute to the mixture. Results: We demonstrate the greater accuracy of metaMix compared with relevant methods, particularly for profiling complex communities consisting of several related species. We designed metaMix specifically for the analysis of deep transcriptome sequencing datasets, with a focus on viral pathogen detection; however, the principles are generally applicable to all types of metagenomic mixtures. Availability and implementation: metaMix is implemented as a user friendly R package, freely available on CRAN: http://cran.r-project.org/web/packages/metaMix Contact: sofia.morfopoulou.10@ucl.ac.uk Supplementary information: Supplementary data are available at Bionformatics online. PMID:26002885

  20. Structural evolution in polythiophene-fullerene mixtures

    NASA Astrophysics Data System (ADS)

    Gomez, Enrique; Kozub, Derek; Vakhshouri, Kiarash

    2011-03-01

    The morphology of organic semiconductor mixtures employed as the active layer of organic solar cells is a result of the complex interplay between the crystallinity of the constituents and the chemical incompatibility. Given that device performance can depend critically on the morphology of the active layer, efforts aimed identifying at the critical parameters for the structure formation process are important for the development of high-performance devices. We demonstrate that polythiophene-fullerene mixtures are partially miscible and that the crystallization of the electron donor drives the characteristic length scales of the structure. By modeling fullerene as a solvent for polythiophene, we have estimated the Flory-Huggins interaction parameter from measurements of the melting point depression of polythiophene. The miscibility between poly(3-hexylthiophene) (P3HT) and fullerene at P3HT volume fractions greater than 0.4 leads to a severe suppression of the crystallization of fullerene. Our efforts have enabled us to develop a hypothesis for the structure formation process in polythiophene/fullerene mixtures.

  1. Complex mixtures, complex responses: Assessing pharmaceutical mixtures using field and laboratory approaches

    USGS Publications Warehouse

    Schoenfuss, Heiko L.; Furlong, Edward T.; Phillips, Patrick J.; Scott, Tia-Marie; Kolpin, Dana W.; Cetkovic-Cvrlje, Marina; Lesteberg, Kelsey E.; Rearick, Daniel C.

    2016-01-01

    Pharmaceuticals are present in low concentrations (<100 ng/L) in most municipal wastewater effluents but may be elevated locally because of factors such as input from pharmaceutical formulation facilities. Using existing concentration data, the authors assessed pharmaceuticals in laboratory exposures of fathead minnows (Pimephales promelas) and added environmental complexity through effluent exposures. In the laboratory, larval and mature minnows were exposed to a simple opioid mixture (hydrocodone, methadone, and oxycodone), an opioid agonist (tramadol), a muscle relaxant (methocarbamol), a simple antidepressant mixture (fluoxetine, paroxetine, venlafaxine), a sleep aid (temazepam), or a complex mixture of all compounds. Larval minnow response to effluent exposure was not consistent. The 2010 exposures resulted in shorter exposed minnow larvae, whereas the larvae exposed in 2012 exhibited altered escape behavior. Mature minnows exhibited altered hepatosomatic indices, with the strongest effects in females and in mixture exposures. In addition, laboratory-exposed, mature male minnows exposed to all pharmaceuticals (except the selective serotonin reuptake inhibitor mixture) defended nest sites less rigorously than fish in the control group. Tramadol or antidepressant mixture exposure resulted in increased splenic T lymphocytes. Only male minnows exposed to whole effluent responded with increased plasma vitellogenin concentrations. Female minnows exposed to pharmaceuticals (except the opioid mixture) had larger livers, likely as a compensatory result of greater prominence of vacuoles in liver hepatocytes. The observed alteration of apical endpoints central to sustaining fish populations confirms that effluents containing waste streams from pharmaceutical formulation facilities can adversely impact fish populations but that the effects may not be temporally consistent. The present study highlights the importance of including diverse biological endpoints spanning levels of biological organization and life stages when assessing contaminant interactions.

  2. Complex mixtures, complex responses: Assessing pharmaceutical mixtures using field and laboratory approaches.

    PubMed

    Schoenfuss, Heiko L; Furlong, Edward T; Phillips, Pat J; Scott, Tia-Marie; Kolpin, Dana W; Cetkovic-Cvrlje, Marina; Lesteberg, Kelsey E; Rearick, Daniel C

    2016-04-01

    Pharmaceuticals are present in low concentrations (<100 ng/L) in most municipal wastewater effluents but may be elevated locally because of factors such as input from pharmaceutical formulation facilities. Using existing concentration data, the authors assessed pharmaceuticals in laboratory exposures of fathead minnows (Pimephales promelas) and added environmental complexity through effluent exposures. In the laboratory, larval and mature minnows were exposed to a simple opioid mixture (hydrocodone, methadone, and oxycodone), an opioid agonist (tramadol), a muscle relaxant (methocarbamol), a simple antidepressant mixture (fluoxetine, paroxetine, venlafaxine), a sleep aid (temazepam), or a complex mixture of all compounds. Larval minnow response to effluent exposure was not consistent. The 2010 exposures resulted in shorter exposed minnow larvae, whereas the larvae exposed in 2012 exhibited altered escape behavior. Mature minnows exhibited altered hepatosomatic indices, with the strongest effects in females and in mixture exposures. In addition, laboratory-exposed, mature male minnows exposed to all pharmaceuticals (except the selective serotonin reuptake inhibitor mixture) defended nest sites less rigorously than fish in the control group. Tramadol or antidepressant mixture exposure resulted in increased splenic T lymphocytes. Only male minnows exposed to whole effluent responded with increased plasma vitellogenin concentrations. Female minnows exposed to pharmaceuticals (except the opioid mixture) had larger livers, likely as a compensatory result of greater prominence of vacuoles in liver hepatocytes. The observed alteration of apical endpoints central to sustaining fish populations confirms that effluents containing waste streams from pharmaceutical formulation facilities can adversely impact fish populations but that the effects may not be temporally consistent. The present study highlights the importance of including diverse biological endpoints spanning levels of biological organization and life stages when assessing contaminant interactions. Environ Toxicol Chem 2016;35:953-965. © 2015 SETAC. PMID:26561986

  3. EVALUATION OF THE JOINT TOXIC ACTION OF MIXTURES OF HALOACETIC ACIDS CONSTRUCTED USING ENVIRONMENTAL CONCENTRATION/EXPOSURE DATA

    EPA Science Inventory

    Disinfection byproducts (DBPs) are formed by reactions between chemicals used to disinfect water and organic compounds present in source water. The composition of DBP mixtures varies based on a number of factors, including treatment scenario, with different DBP mixtures contain...

  4. TEST REPORT #33: Compressor Calorimeter Test of R-410A Alternative: R-32/R-134a Mixture Using a Scroll Compressor

    SciTech Connect

    Shrestha, Som; Sharma, Vishaldeep; Abdelaziz, Omar

    2014-02-18

    This report investigates the tested performance of lower - GWP candidate refrigerant, 94.07 wt% R - 32 + 5.93 wt % R - 134 a mixture (hereafter referred to as R - 32/134a), as an alternative to baseline refrigerant R - 410 A using a 36,000 Btu/hr compressor calorimeter located at the Heat Exchanger Advanced Testing Facility at Oak Ridge National Laboratory . These tests were conducted during May and August 2013. R - 410A is a near - azeotropic blend of R - 32 and R - 125 with 0.5/0.5 mass fraction and has a GWP 100 of 2100. R - 32 and R - 134a are pure refrigerants and have GWP 100 of 716 and 1370 1, respectively. Based on the GWP 100 values of pure refrigerants and their mass fraction in the blend, GWP 100 of R - 32/134a, which is under development by National Refrigerant, is 755. This report compares various performance parameters, such as cooling capacity, compressor power, refrigerant mass flow rate, EER, isentropic efficiency and discharge temperature of the alternative refrigerant to that of R - 410 A.

  5. 76 FR 52954 - Workshop: Advancing Research on Mixtures; New Perspectives and Approaches for Predicting Adverse...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-24

    ...'' on September 26-27, 2011 at the Sheraton Chapel Hill, Chapel Hill, NC. This workshop is organized to....niehs.nih.gov/conferences/dert/mixtures/ ). The meeting is organized with plenary talks and...

  6. RISK ASSESSMENT OF COMPLEX MIXTURES

    EPA Science Inventory

    Quantitative carcinogenic assessment of complex mixtures is complicated by the variability of the mixtures. Different samples of effluents from the same source may vary in their carcinogenic potency. A multiplicative effect could be produced by the action of different fractions o...

  7. COMPLEX MIXTURES AND GROUNDWATER QUALITY

    EPA Science Inventory

    Experience has shown that many soil and ground-water contamination problems involve complex mixtures of chemicals. his manuscript identifies and discusses, in a generic sense, some of the important processes which must be considered when dealing with complex mixtures in the subsu...

  8. Thermobaric investigation of coal mixtures

    SciTech Connect

    Kosinskii, V.A.

    1983-01-01

    An examination of the dynamics of gas emission during the heating in vacuo of different grades of Donbass coal included a study of binary and ternary mixtures of these coals. Discrete gas emission was established at temperatures depending principally on the ratio of coals within the mixtures. The data obtained could be used as a basis for commercial processes.

  9. Phase behavior of lipid mixtures

    PubMed Central

    Feigenson, Gerald W

    2009-01-01

    Biological membranes are two-dimensional mixtures of an enormous number of different components. Modeling cell membranes as simple bilayer mixtures reveals rich phase behavior, but how can we use the observed phase behavior to understand the real membranes? PMID:17051225

  10. Thermophysical Properties of Hydrocarbon Mixtures

    National Institute of Standards and Technology Data Gateway

    SRD 4 NIST Thermophysical Properties of Hydrocarbon Mixtures (PC database for purchase)   Interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The components are selected from a database of 196 components, mostly hydrocarbons.

  11. Latent Classiness and Other Mixtures

    PubMed Central

    Neale, Michael C.

    2014-01-01

    The aim of this article is to laud Lindon Eaves’ role in the development of mixture modeling in genetic studies. The specification of models for mixture distributions was very much in its infancy when Professor Eaves implemented it in his own FORTRAN programs, and extended it to data collected from relatives such as twins. It was his collaboration with the author of this article which led to the first implementation of mixture distribution modeling in a general-purpose structural equation modeling program, Mx, resulting in a 1996 article on linkage analysis in Behavior Genetics. Today, the popularity of these methods continues to grow, encompassing methods for genetic association, latent class analysis, growth curve mixture modeling, factor mixture modeling, regime switching, marginal maximum likelihood, genotype by environment interaction, variance component twin modeling in the absence of zygosity information, and many others. This primarily historical article concludes with some consideration of some possible future developments. PMID:24477932

  12. Latent classiness and other mixtures.

    PubMed

    Neale, Michael C

    2014-05-01

    The aim of this article is to laud Lindon Eaves' role in the development of mixture modeling in genetic studies. The specification of models for mixture distributions was very much in its infancy when Professor Eaves implemented it in his own FORTRAN programs, and extended it to data collected from relatives such as twins. It was his collaboration with the author of this article which led to the first implementation of mixture distribution modeling in a general-purpose structural equation modeling program, Mx, resulting in a 1996 article on linkage analysis in Behavior Genetics. Today, the popularity of these methods continues to grow, encompassing methods for genetic association, latent class analysis, growth curve mixture modeling, factor mixture modeling, regime switching, marginal maximum likelihood, genotype by environment interaction, variance component twin modeling in the absence of zygosity information, and many others. This primarily historical article concludes with some consideration of some possible future developments. PMID:24477932

  13. POTENTIAL EMISSIONS OF HAZARDOUS ORGANIC COMPOUNDS FROM SEWAGE SLUDGE INCINERATION

    EPA Science Inventory

    Laboratory thermal decomposition studies were undertaken to evaluate potential organic emissions from sewage sludge incinerators. Precisely controlled thermal decomposition experiments were conducted on sludge spiked with mixtures of hazardous organic compounds, on the mixtures o...

  14. Development of more efficacious Tc-99m organ imaging agents for use in nuclear medicine by analytical characterization of radiopharmaceutical mixtures: Progress report for period September 1, 1986-August 31, 1987

    SciTech Connect

    Heineman, W.R.

    1987-06-01

    The long-range objective of this research is the development of more efficacious technetium-99m radiopharmaceuticals for use as imaging agents in diagnostic nuclear medicine. The author developed analytical techniques that are capable of separating radiopharmaceutical mixtures into their component technetium complexes for subsequent evaluation. During this one-year period, a chromatographic procedure has been developed for the separation of technetium phosphonoacetic acid (PAA) complexes and five Tc-PAA complexes have been isolated from radiopharmaceutical preparations. The concentration of each complex in the preparation varies significantly depending on the pH of the preparation. Radiopharmaceutical preparations based on the ligand methylene diphosphonate (MDP) have been prepared by electrochemical reduction of TcO/sub 4//sup -/. The yields of different Tc-MDP complexes are affected by the potential applied to the electrochemical cell. The control of both potential and pH enables a specific Tc-MDP complex to be produced in purer form and higher yield than by chemical reduction. An EXAFS spectrum of a solution of chromatographically isolated Tc-HEDP (hydroxyethylidine diphosphonate) complex shows evidence for a Tc-Tc bond, which is supportive of the postulated oligomeric/polymeric nature of these complexes. 9 refs., 4 figs.

  15. Bridging environmental mixtures and toxic effects

    PubMed Central

    Allan, Sarah E.; Smith, Brian W.; Tanguay, Robert L.; Anderson, Kim A.

    2012-01-01

    BRIDGES is a bioanalytical tool that combines passive sampling with the embryonic zebrafish developmental toxicity bioassay to provide a quantitative measure of the toxicity of bioavailable complex mixtures. Passive sampling devices (PSDs), which sequester and concentrate bioavailable organic contaminants from the environment, were deployed in the Willamette and Columbia Rivers within and outside of the Portland Harbor Superfund site in Portland, Oregon. Six sampling events were conducted in the summer and fall of 2009 and 2010. PSD extracts were analyzed for polycyclic aromatic hydrocarbon (PAH) compounds and screened for 1201 chemicals of concern using deconvolution reporting software. The developmental toxicity of the extracts was analyzed using the embryonic zebrafish bioassay. BRIDGES provided site-specific, temporally resolved information about environmental contaminant mixtures and their toxicity. Multivariate modeling approaches were applied to paired chemical and toxic effects data sets to help unravel chemistry-toxicity associations. Modeling demonstrated a significant correlation between PAH concentrations and the toxicity of the samples and identified a subset of PAH analytes that were the most highly correlated with observed toxicity. Although this research highlights the complexity of discerning specific bioactive compounds in complex mixtures, it demonstrates methods for associating toxic effects with chemical characteristics of environmental samples. PMID:23001962

  16. Surface tensions of solutions containing dicarboxylic acid mixtures

    NASA Astrophysics Data System (ADS)

    Lee, Jae Young; Hildemann, Lynn M.

    2014-06-01

    Organic solutes tend to lower the surface tension of cloud condensation nuclei, allowing them to more readily activate. The surface tension of various dicarboxylic acid aerosol mixtures was measured at 20 °C using the Wilhelmy plate method. At lower concentrations, the surface tension of a solution with equi-molar mixtures of dicarboxylic acids closely followed that of a solution with the most surface-active organic component alone. Measurements of surface tension for these mixtures were lower than predictions using Henning's model and the modified Szyszkowski equation, by ˜1-2%. The calculated maximum surface excess (Γmax) and inverse Langmuir adsorption coefficient (β) from the modified Szyszkowski equation were both larger than measured values for 6 of the 7 mixtures tested. Accounting for the reduction in surface tension in the Köhler equation reduced the critical saturation ratio for these multi-component mixtures - changes were negligible for dry diameters of 0.1 and 0.5 μm, but a reduction from 1.0068 to 1.0063 was seen for the 4-dicarboxylic acid mixture with a dry diameter of 0.05 μm.

  17. Maximum workplace concentration values and carcinogenicity classification for mixtures.

    PubMed Central

    Bartsch, R; Forderkunz, S; Reuter, U; Sterzl-Eckert, H; Greim, H

    1998-01-01

    In Germany, the Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area (MAK Commission) generally sets maximum workplace concentration values (i.e., a proposed occupational exposure level [OEL]) for single substances, not for mixtures. For mixtures containing substances with a genotoxic and carcinogenic potential, the commission considered it scientifically inappropriate to establish a safe threshold. This approach is currently under discussion. Carcinogenic mixtures are categorized according to either the carcinogenicity of the mixture or the classification of the carcinogenic substances included. In regulating exposure to mixtures, an approach similar to that used by the American Conference of Governmental Hygienists is proposed: For components with the same target organ and mode of action or interfering metabolism, synergistic effects must be expected and the respective OELs must be lowered. However, if there is proof that the components act independently, the OELs of the individual compounds are not considered to be modified. In the view of the commission, calculating OELs for solvent mixtures according to their liquid phase composition is not justified, and the setting of scientifically based OELs for complex mixtures is not possible. PMID:9860883

  18. Development of more efficacious Tc-99m organ imaging agents for use in nuclear medicine by analytical characterization of radiopharmaceutical mixtures. Progress report, May 1, 1980-April 30, 1981. [/sup 99m/Tc(NaBH/sub 4/)HEDP

    SciTech Connect

    Heineman, W. R.; Deutsch, E. A.

    1980-12-01

    High performance liquid chromatography (HPLC) was used to efficiently separate and detect the individual components in a radiopharmaceutical mixture. A procedure for separating Tc(NaBH/sub 4/)HEDP radiopharmaceutical analogues by anion exchange HPLC with uv-visible and ..gamma.. detection was developed. Such preparations consist of as many as 7 Tc-containing components, the relative quantities of which are highly dependent on the conditions during preparation and subsequent handling. The in vivo distributions of 3 of the isolated Tc-HEDP species were evaluated as skeletal imaging agents in normal rats. The chromatographically separated Tc-HEDP components exhibit distinctly different biodistributions which are related to the chromatographic characteristics of the individual components. These same Tc-HEDP components were evaluated for uptake in myocardial infarcts using the isoproterenol-induced necrosis model in the rat. The relative uptake of the various components in the infarcted heart parallels the skeletal uptake. An optically transparent thin layer electrochemical flow cell was developed and characterized. This cell enables optical and electrochemical measurements to be made simultaneously on individual Tc-HEDP complexes as they elute from the HPLC. These results demonstrate the potential presence of numerous technetium complexes in radiopharmaceuticals and the efficacy of HPLC as a mode of separation and detection of these complexes. One particular component in the Tc(NaBH/sub 4/)HEDP radiopharmaceutical analogue is more effective than the others for both skeletal and myocardial infarct uptake. This is strongly suggestive that a more efficacious radiopharmaceutical would result from the administration of this single component.

  19. Thermobaric investigations of coal mixtures

    SciTech Connect

    Kosinskii, V.A.

    1983-01-01

    The dynamics of the evolution of gas when coals of various types from the Donbass and binary and ternary mixtures of them are heated have been studied. The discrete nature of the evolution of gas has been established, the temperature intervals of which depend primarily on the ratio of the coals in the mixtures. The possibility of using the results obtained in determining rational schemes for the industrial processing of coals is suggested.

  20. Predicting the toxicity of metal mixtures.

    PubMed

    Balistrieri, Laurie S; Mebane, Christopher A

    2014-01-01

    The toxicity of single and multiple metal (Cd, Cu, Pb, and Zn) solutions to trout is predicted using an approach that combines calculations of: (1) solution speciation; (2) competition and accumulation of cations (H, Ca, Mg, Na, Cd, Cu, Pb, and Zn) on low abundance, high affinity and high abundance, low affinity biotic ligand sites; (3) a toxicity function that accounts for accumulation and potency of individual toxicants; and (4) biological response. The approach is evaluated by examining water composition from single metal toxicity tests of trout at 50% mortality, results of theoretical calculations of metal accumulation on fish gills and associated mortality for single, binary, ternary, and quaternary metal solutions, and predictions for a field site impacted by acid rock drainage. These evaluations indicate that toxicity of metal mixtures depends on the relative affinity and potency of toxicants for a given aquatic organism, suites of metals in the mixture, dissolved metal concentrations and ratios, and background solution composition (temperature, pH, and concentrations of major ions and dissolved organic carbon). A composite function that incorporates solution composition, affinity and competition of cations for two types of biotic ligand sites, and potencies of hydrogen and individual metals is proposed as a tool to evaluate potential toxicity of environmental solutions to trout. PMID:23973545

  1. Separation of a Five-Component Mixture in the Microscale Laboratory.

    ERIC Educational Resources Information Center

    O'Hara-Mays, Ellen P.; Yuen, George U.

    1989-01-01

    Described is a microscale organic chemistry laboratory which involves the separation and purification of a mixture consisting of a strong organic acid, a weak organic acid, an organic base, and two neutral compounds. Reinforced are the basic principles of acid/base chemistry and the physical properties of the associated functional groups. (CW)

  2. A regression model for calculating the boiling point isobars of tetrachloromethane-based binary solutions

    NASA Astrophysics Data System (ADS)

    Preobrazhenskii, M. P.; Rudakov, O. B.

    2016-01-01

    A regression model for calculating the boiling point isobars of tetrachloromethane-organic solvent binary homogeneous systems is proposed. The parameters of the model proposed were calculated for a series of solutions. The correlation between the nonadditivity parameter of the regression model and the hydrophobicity criterion of the organic solvent is established. The parameter value of the proposed model is shown to allow prediction of the potential formation of azeotropic mixtures of solvents with tetrachloromethane.

  3. Mixtures of amino-acid based ionic liquids and water.

    PubMed

    Chaban, Vitaly V; Fileti, Eudes Eterno

    2015-09-01

    New ionic liquids (ILs) involving increasing numbers of organic and inorganic ions are continuously being reported. We recently developed a new force field; in the present work, we applied that force field to investigate the structural properties of a few novel imidazolium-based ILs in aqueous mixtures via molecular dynamics (MD) simulations. Using cluster analysis, radial distribution functions, and spatial distribution functions, we argue that organic ions (imidazolium, deprotonated alanine, deprotonated methionine, deprotonated tryptophan) are well dispersed in aqueous media, irrespective of the IL content. Aqueous dispersions exhibit desirable properties for chemical engineering. The ILs exist as ion pairs in relatively dilute aqueous mixtures (10 mol%), while more concentrated mixtures feature a certain amount of larger ionic aggregates. PMID:26277480

  4. Organic geochemistry and organic petrography

    SciTech Connect

    Bostick, N.H.; Hatch, J.R.; Daws, T.A.; Love, A.H.; Lubeck, S.C.M.; Threlkeld, C.N.

    1987-01-01

    The Vermillion Creek coals and shales contain dominantly humic organic matter originating from woody plant tissues except for one shale unit above the coals, which contains hydrogen-rich kerogen that is mostly remains of filamentous algae, of likely lacustrine origin. The coals have two unusual features - very low inertinite content and high sulfur content compared to mined western coals. However, neither of these features points to the limnic setting reported for the Vermillion Creek sequence. The vitrinite reflectance of Vermillion Creek shales is markedly lower than that of the coals and is inversely proportional to the H/C ratio of the shales. Rock-Eval pyrolysis results, analyses of H, C, and N, petrographic observations, isotope composition of organic carbon, and amounts and compositions of the CHCl/sub 3/-extractable organic matter all suggest mixtures of two types of organic matter in the Vermillion Creek coals and clay shales: (1) isotopically heavy, hydrogen-deficient, terrestrial organic matter, as was found in the coals, and (2) isotopically light, hydrogen-rich organic matter similar to that found in one of the clay-shale samples. The different compositions of the Vermillion Creek coal, the unnamed Williams Fork Formation coals, and coals from the Middle Pennsylvanian Marmaton and Cherokee Groups are apparently caused by differences in original plant composition, alteration of organic matter related to different pH conditions of the peat swamps, and slightly different organic maturation levels.

  5. Modeling and analysis of personal exposures to VOC mixtures using copulas

    PubMed Central

    Su, Feng-Chiao; Mukherjee, Bhramar; Batterman, Stuart

    2014-01-01

    Environmental exposures typically involve mixtures of pollutants, which must be understood to evaluate cumulative risks, that is, the likelihood of adverse health effects arising from two or more chemicals. This study uses several powerful techniques to characterize dependency structures of mixture components in personal exposure measurements of volatile organic compounds (VOCs) with aims of advancing the understanding of environmental mixtures, improving the ability to model mixture components in a statistically valid manner, and demonstrating broadly applicable techniques. We first describe characteristics of mixtures and introduce several terms, including the mixture fraction which represents a mixture component's share of the total concentration of the mixture. Next, using VOC exposure data collected in the Relationship of Indoor Outdoor and Personal Air (RIOPA) study, mixtures are identified using positive matrix factorization (PMF) and by toxicological mode of action. Dependency structures of mixture components are examined using mixture fractions and modeled using copulas, which address dependencies of multiple variables across the entire distribution. Five candidate copulas (Gaussian, t, Gumbel, Clayton, and Frank) are evaluated, and the performance of fitted models was evaluated using simulation and mixture fractions. Cumulative cancer risks are calculated for mixtures, and results from copulas and multivariate lognormal models are compared to risks calculated using the observed data. Results obtained using the RIOPA dataset showed four VOC mixtures, representing gasoline vapor, vehicle exhaust, chlorinated solvents and disinfection by-products, and cleaning products and odorants. Often, a single compound dominated the mixture, however, mixture fractions were generally heterogeneous in that the VOC composition of the mixture changed with concentration. Three mixtures were identified by mode of action, representing VOCs associated with hematopoietic, liver and renal tumors. Estimated lifetime cumulative cancer risks exceeded 10−3 for about 10% of RIOPA participants. Factors affecting the likelihood of high concentration mixtures included city, participant ethnicity, and house air exchange rates. The dependency structures of the VOC mixtures fitted Gumbel (two mixtures) and t (four mixtures) copulas, types that emphasize tail dependencies. Significantly, the copulas reproduced both risk predictions and exposure fractions with a high degree of accuracy, and performed better than multivariate lognormal distributions. Copulas may be the method of choice for VOC mixtures, particularly for the highest exposures or extreme events, cases that poorly fit lognormal distributions and that represent the greatest risks. PMID:24333991

  6. Bayesian Kernel Mixtures for Counts.

    PubMed

    Canale, Antonio; Dunson, David B

    2011-12-01

    Although Bayesian nonparametric mixture models for continuous data are well developed, there is a limited literature on related approaches for count data. A common strategy is to use a mixture of Poissons, which unfortunately is quite restrictive in not accounting for distributions having variance less than the mean. Other approaches include mixing multinomials, which requires finite support, and using a Dirichlet process prior with a Poisson base measure, which does not allow smooth deviations from the Poisson. As a broad class of alternative models, we propose to use nonparametric mixtures of rounded continuous kernels. An efficient Gibbs sampler is developed for posterior computation, and a simulation study is performed to assess performance. Focusing on the rounded Gaussian case, we generalize the modeling framework to account for multivariate count data, joint modeling with continuous and categorical variables, and other complications. The methods are illustrated through applications to a developmental toxicity study and marketing data. This article has supplementary material online. PMID:22523437

  7. Bayesian Kernel Mixtures for Counts

    PubMed Central

    Canale, Antonio; Dunson, David B.

    2011-01-01

    Although Bayesian nonparametric mixture models for continuous data are well developed, there is a limited literature on related approaches for count data. A common strategy is to use a mixture of Poissons, which unfortunately is quite restrictive in not accounting for distributions having variance less than the mean. Other approaches include mixing multinomials, which requires finite support, and using a Dirichlet process prior with a Poisson base measure, which does not allow smooth deviations from the Poisson. As a broad class of alternative models, we propose to use nonparametric mixtures of rounded continuous kernels. An efficient Gibbs sampler is developed for posterior computation, and a simulation study is performed to assess performance. Focusing on the rounded Gaussian case, we generalize the modeling framework to account for multivariate count data, joint modeling with continuous and categorical variables, and other complications. The methods are illustrated through applications to a developmental toxicity study and marketing data. This article has supplementary material online. PMID:22523437

  8. Unrestricted Mixture Models for Class Identification in Growth Mixture Modeling

    ERIC Educational Resources Information Center

    Liu, Min; Hancock, Gregory R.

    2014-01-01

    Growth mixture modeling has gained much attention in applied and methodological social science research recently, but the selection of the number of latent classes for such models remains a challenging issue, especially when the assumption of proper model specification is violated. The current simulation study compared the performance of a linear

  9. Unrestricted Mixture Models for Class Identification in Growth Mixture Modeling

    ERIC Educational Resources Information Center

    Liu, Min; Hancock, Gregory R.

    2014-01-01

    Growth mixture modeling has gained much attention in applied and methodological social science research recently, but the selection of the number of latent classes for such models remains a challenging issue, especially when the assumption of proper model specification is violated. The current simulation study compared the performance of a linear…

  10. Landfilling ash/sludge mixtures

    SciTech Connect

    Benoit, J.; Eighmy, T.T.; Crannell, B.S.

    1999-10-01

    The geotechnical properties of a mixture of municipal solid waste incinerator bottom ash and municipal wastewater treatment plant sludge was investigated for a proposed ash/sludge secure landfill. The components as well as mixtures ranging from 10:1 to 5:1 (ash:sludge, by volume) were evaluated, where appropriate, for a number of geotechnical index and mechanical properties including particle size, water content, specific gravity, density-moisture relationships, shear strength, and compressibility. The results from a compactibility study and stability analysis of the proposed landfill were used to help approve a landfill codisposal concept; a full-scale facility was constructed and is currently operating successfully.

  11. An improved Gaussian mixture model

    NASA Astrophysics Data System (ADS)

    Gong, Dayong; Wang, Zhihua

    2013-03-01

    An improved Gaussian mixture model is presented to substitute the typical method of Chris Stauffer which revealed its weakness in uncontrollability of the background constructing course and foreground mergence time as well as invalidation to the low duty background. By setting appropriate time parameters which meet the monitoring needs, the improved method effectively controls the estimates updating process of each background in Gaussian mixture model via layered attenuating the estimates and intensifying the recurrence events while requires almost the same computation. The simulation of traffic monitoring videos indicates that: this model has no scraps of provisionally staying objects, efficaciously picks up the low duty background.

  12. A formula for dielectric mixtures

    SciTech Connect

    Tuncer, Enis

    2005-01-01

    Dielectric properties of material mixtures are of importance in diagnostics, characterization and design of systems in various engineering fields. In this letter, we propose a new dielectric-mixture expression, which is based on the dielectric relaxation phenomena and the spectral density representation. The expression is tested on several composite systems. Results illustrate that the proposed expression can be used to obtain valuable structural informations in composites, even for highly filled, bi-percolating, systems. The proposed expression is an alternative to other existing homogenization formulas in the literature.

  13. Separating mixtures by exploiting molecular packing effects in microporous materials.

    PubMed

    Krishna, Rajamani

    2015-01-01

    We examine mixture separations with microporous adsorbents such as zeolites, metal-organic frameworks (MOFs) and zeolitic imidazolate frameworks (ZIFs), operating under conditions close to pore saturation. Pore saturation is realized, for example, when separating bulk liquid phase mixtures of polar compounds such as water, alcohols and ketones. For the operating conditions used in industrial practice, pore saturation is also attained in separations of hydrocarbon mixtures such as xylene isomers and hexane isomers. Separations under pore saturation conditions are strongly influenced by differences in the saturation capacities of the constituent species; the adsorption is often in favor of the component with the higher saturation capacity. Effective separations are achieved by exploiting differences in the efficiency with which molecules pack within the ordered crystalline porous materials. For mixtures of chain alcohols, the shorter alcohol can be preferentially adsorbed because of its higher saturation capacity. With hydrophilic adsorbents, water can be selectively adsorbed from water-alcohol mixtures. For separations of o-xylene-m-xylene-p-xylene mixtures, the pore dimensions of MOFs can be tailored in such a manner as to allow optimal packing of the isomer that needs to be adsorbed preferentially. Subtle configurational differences between linear and branched alkane isomers result in significantly different packing efficiencies within the pore topology of MFI, AFI, ATS, and CFI zeolites. A common characteristic feature of most separations that are reliant on molecular packing effects is that adsorption and intra-crystalline diffusion are synergistic; this enhances the separation efficiencies in fixed bed adsorbers. PMID:25377790

  14. 14 CFR 23.1147 - Mixture controls.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Accessories § 23.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and each mixture control must have guards or must be shaped or arranged to prevent confusion by... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Mixture controls. 23.1147 Section...

  15. 16 CFR 1500.5 - Hazardous mixtures.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 16 Commercial Practices 2 2012-01-01 2012-01-01 false Hazardous mixtures. 1500.5 Section 1500.5... HAZARDOUS SUBSTANCES AND ARTICLES; ADMINISTRATION AND ENFORCEMENT REGULATIONS § 1500.5 Hazardous mixtures. For a mixture of substances, the determination of whether the mixture is a “hazardous substance”...

  16. 16 CFR 1500.5 - Hazardous mixtures.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 16 Commercial Practices 2 2010-01-01 2010-01-01 false Hazardous mixtures. 1500.5 Section 1500.5... HAZARDOUS SUBSTANCES AND ARTICLES; ADMINISTRATION AND ENFORCEMENT REGULATIONS § 1500.5 Hazardous mixtures. For a mixture of substances, the determination of whether the mixture is a “hazardous substance”...

  17. 14 CFR 23.1147 - Mixture controls.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Mixture controls. 23.1147 Section 23.1147... Accessories § 23.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and each mixture control must have guards or must be shaped or arranged to prevent confusion...

  18. 14 CFR 23.1147 - Mixture controls.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Mixture controls. 23.1147 Section 23.1147... Accessories § 23.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and each mixture control must have guards or must be shaped or arranged to prevent confusion...

  19. 16 CFR 1500.5 - Hazardous mixtures.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 16 Commercial Practices 2 2013-01-01 2013-01-01 false Hazardous mixtures. 1500.5 Section 1500.5... HAZARDOUS SUBSTANCES AND ARTICLES; ADMINISTRATION AND ENFORCEMENT REGULATIONS § 1500.5 Hazardous mixtures. For a mixture of substances, the determination of whether the mixture is a “hazardous substance”...

  20. 16 CFR 1500.5 - Hazardous mixtures.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 16 Commercial Practices 2 2014-01-01 2014-01-01 false Hazardous mixtures. 1500.5 Section 1500.5... HAZARDOUS SUBSTANCES AND ARTICLES; ADMINISTRATION AND ENFORCEMENT REGULATIONS § 1500.5 Hazardous mixtures. For a mixture of substances, the determination of whether the mixture is a “hazardous substance”...

  1. 14 CFR 23.1147 - Mixture controls.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Mixture controls. 23.1147 Section 23.1147... Accessories § 23.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and each mixture control must have guards or must be shaped or arranged to prevent confusion...

  2. 16 CFR 1500.5 - Hazardous mixtures.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 16 Commercial Practices 2 2011-01-01 2011-01-01 false Hazardous mixtures. 1500.5 Section 1500.5... HAZARDOUS SUBSTANCES AND ARTICLES; ADMINISTRATION AND ENFORCEMENT REGULATIONS § 1500.5 Hazardous mixtures. For a mixture of substances, the determination of whether the mixture is a “hazardous substance”...

  3. Method and compositions for the degradation of tributyl phosphate in chemical waste mixtures

    DOEpatents

    Stoner, Daphne L.; Tien, Albert J.

    1995-01-01

    A method and process for the degradation of tributyl phosphate in an organic waste mixture and a biologically pure, novel bacteria culture for accomplishing the same. A newly-discovered bacteria (a strain of Acinetobacter sp. ATCC 55587) is provided which is combined in a reactor vessel with a liquid waste mixture containing tributyl phosphate and one or more organic waste compounds capable of functioning as growth substrates for the bacteria. The bacteria is thereafter allowed to incubate within the waste mixture. As a result, the tributyl phosphate and organic compounds within the waste mixture are metabolized (degraded) by the bacteria, thereby eliminating such materials which are environmentally hazardous. In addition, the bacteria is capable of degrading waste mixtures containing high quantities of tributyl phosphate (e.g. up to about 1.0% by weight tributyl phosphate).

  4. Method and compositions for the degradation of tributyl phosphate in chemical waste mixtures

    DOEpatents

    Stoner, D.L.; Tien, A.J.

    1995-09-26

    A method and process are disclosed for the degradation of tributyl phosphate in an organic waste mixture and a biologically pure, novel bacteria culture for accomplishing the same. A newly-discovered bacteria (a strain of Acinetobacter sp. ATCC 55587) is provided which is combined in a reactor vessel with a liquid waste mixture containing tributyl phosphate and one or more organic waste compounds capable of functioning as growth substrates for the bacteria. The bacteria is thereafter allowed to incubate within the waste mixture. As a result, the tributyl phosphate and organic compounds within the waste mixture are metabolized (degraded) by the bacteria, thereby eliminating such materials which are environmentally hazardous. In addition, the bacteria is capable of degrading waste mixtures containing high quantities of tributyl phosphate (e.g. up to about 1.0% by weight tributyl phosphate). 6 figs.

  5. Mixtures of (Constrained) Ultrametric Trees.

    ERIC Educational Resources Information Center

    Wedel, Michel; DeSarbo, Wayne S.

    1998-01-01

    Presents a method for the estimation of ultrametric trees calibrated on subjects' pairwise proximity judgments of stimuli, capturing subject heterogeneity using a finite mixture formulation. An empirical example from published data shows the ability to deal with external constraints on the tree topology. (Author/SLD)

  6. Morphological robustness in polythiophene/fullerene mixtures

    NASA Astrophysics Data System (ADS)

    Vajjala Kesava, Sameer; Kozub, Derek; Wang, Cheng; Hexemer, Alexander; Gomez, Enrique

    2012-02-01

    The morphology of the photoactive layer of organic solar cells evolves differently under different processing conditions such as annealing temperature, annealing time and casting solvent. Hence, characterizing it is crucial in understanding its effect on device performance. In our study, we used Grazing Incidence Small Angle X-ray Scattering (GISAXS) and Energy-Filtered Transmission Electron Microscopy (EFTEM) to characterize the in-plane morphology of poly(3-hexylthiophene-2,5-diyl) (P3HT)/[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) mixtures. We found that the characteristic length scale determined through GISAXS did not vary significantly for different processing conditions thus making P3HT/PCBM a robust system. For example, different spin-casting solvents did not significantly affect lateral phase separation, and consequently, device performance was similar once thickness effects are accounted for.

  7. Proteomic analysis of a model fish species exposed to individual pesticides and a binary mixture

    EPA Science Inventory

    Aquatic organisms are often exposed to multiple pesticides simultaneously. Due to the relatively poor characterization of mixture constituent interactions and the potential for highly complex exposure scenarios, there is considerable uncertainty in understanding the toxicity of m...

  8. Gas adsorption and gas mixture separations using mixed-ligand MOF material

    DOEpatents

    Hupp, Joseph T.; Mulfort, Karen L.; Snurr, Randall Q.; Bae, Youn-Sang

    2011-01-04

    A method of separating a mixture of carbon dioxiode and hydrocarbon gas using a mixed-ligand, metal-organic framework (MOF) material having metal ions coordinated to carboxylate ligands and pyridyl ligands.

  9. Gene Expression Responses in Male Fathead Minnows Exposed to Binary Mixtures of an Estrogen and Antiestrogen

    EPA Science Inventory

    Aquatic organisms are continuously exposed to complex mixtures of chemicals, many of which can interfere with their endocrine system, resulting in impaired reproduction, development or survival, among others. In order to analyze the effects and mechanisms of action of estrogen...

  10. PREDICTION OF THE SOLUBILITY OF HYDROPHOBIC COMPOUNDS IN NONIDEAL SOLVENT MIXTURES

    EPA Science Inventory

    The solubility of hydrophobic organic chemicals (HOCs) in partially-miscible solvent mixtures was investigated. In agreement with previous findings, it was observed that there is a limited domain in which nonideality effects are important; appreciable concentrations of partially-...

  11. Medium-term bioassays for carcinogenicity of chemical mixtures.

    PubMed Central

    Ito, N; Imaida, K; Hirose, M; Shirai, T

    1998-01-01

    Carcinogenic effects of chemical mixtures were examined with a medium-term liver bioassay for carcinogens or a multiorgan medium-term bioassay using male F344 rats. In the medium-term liver bioassay, rats were initially treated with diethylnitrosamine (DEN) at 200 mg/kg body weight, i.p.; after 2 weeks they received chemical mixtures such as 10 different heterocyclic amines at one-tenth or one-hundredth the dose levels used in carcinogenicity studies and the mixtures of 20 different pesticides, each at acceptable daily intake (ADI) levels or a mixture of 100 times ADI levels. All animals were subjected to two-thirds partial hepatectomy at week 3 and were sacrificed at week 8. The number and areas of glutathione S-transferase placental form (GST-P) positive foci (preneoplastic lesions in the liver) were compared between respective groups. When 10 heterocyclic amines were mixed in the diet at one-tenth dose level, clear synergism was observed, but no combined effects were evident with the one-hundredth dose levels. In the pesticide experiment, treatment of rats with the 20-pesticide mixture at the ADI dose level did not enhance GST-P-positive foci. In contrast, a mixture of 100 times the ADI significantly increased those values. In a multiorgan bioassay of 28 weeks, mixtures of 40 high-volume compounds and 20 pesticides (suspected carcinogens) added together at their respective ADI levels did not enhance carcinogenesis in any organs initiated by five different carcinogens (DEN, N-methylnitrosourea, dimethylhydrazine, N-butyl-N-(4-hydroxybutyl)nitrosamine, and dihydroxy-di-n-propylnitrosamine) in combination. The combination effect of low dietary levels of five antioxidants, butylated hydroxyanisole, caffeic acid, sesamol, 4-methoxyphenol, and catechol, were also examined using the multiorgan bioassay. The incidence of forestomach papillomas was significantly increased only in the combination group and the results indicate that combination of the five antioxidants can exert additive/synergistic effects on tumorigenesis in the multiorgan bioassay. These results indicate that chemical mixtures at very low doses did not enhance preneoplastic lesions synergistically but the mixtures at certain doses show synergism in the target organ. The medium-term bioassays are particularly useful tools for this purpose. Images Figure 1 Figure 2 Figure 3 PMID:9860889

  12. International issues on human health effects of exposure to chemical mixtures.

    PubMed Central

    Feron, Victor J; Cassee, Flemming R; Groten, John P; van Vliet, Petronella W; van Zorge, Job A

    2002-01-01

    In this article, we highlight new developments and recent studies concerning adverse human health effects related to chemical mixtures. One group of activities comprises the development of a new computer program for analyzing mixture studies and a mathematical model as a basis for combination rules that predict the toxicity of mixtures. Other new activities in the area of experimental studies are the application of gene expression technologies in mixture research, and pattern recognition as a tool in safety evaluation of complex mixtures. A "bottom-up" approach for chemosensory detection of mixtures has recently been presented. Other topics include a method for the safety evaluation of natural flavoring complexes, and an evaluation of the possible health effects of the simultaneous intake of food additives. Examples of issues related to mixtures of airborne chemicals are potential interaction of fine particles and gaseous pollutants in ambient air, nasal cancer associated with inhaled chemical mixtures, and the recommendation of a limit value for volatile organic compounds. Topics of a more strategic nature include studies concerning the public health effects of large airports, and the development of criteria for a harmonized classification of chemical mixtures. This overview illustrates that strategies to tackle the safety evaluation of combined exposures and complex mixtures as well as models facilitating the interpretation of findings in the context of risk assessment of mixtures have become increasingly important. It is true that exposure of humans to chemical mixtures is the rule rather than the exception, and therefore health risk assessments should focus on mixtures and not on single chemicals. It is also true, however, that humans have learned to cope with exposure to huge numbers of chemicals simultaneously (food, water, air, soil, and consumer products). Therefore, in view of limited resources for toxicological research, the focus in toxicology should be on priority mixtures--priority being determined by (estimated) health risk (= toxicity and exposure). PMID:12634116

  13. Maxwell stress in fluid mixtures.

    PubMed

    Sakaue, Takahiro; Ohta, Takao

    2012-02-17

    We examine the structure of Maxwell stress in binary fluid mixtures under an external electric field and discuss its consequence. In particular, we show that, in immiscible blends, it is intimately related to the statistics of domain structure. This leads to a compact formula, which may be useful in the investigation of electrorheological effects in such systems. The stress tensor calculated in a phase separated fluid under a steady electric field is in a good agreement with recent experiments. PMID:22401262

  14. Maxwell Stress in Fluid Mixtures

    NASA Astrophysics Data System (ADS)

    Sakaue, Takahiro; Ohta, Takao

    2012-02-01

    We examine the structure of Maxwell stress in binary fluid mixtures under an external electric field and discuss its consequence. In particular, we show that, in immiscible blends, it is intimately related to the statistics of domain structure. This leads to a compact formula, which may be useful in the investigation of electrorheological effects in such systems. The stress tensor calculated in a phase separated fluid under a steady electric field is in a good agreement with recent experiments.

  15. Medicines, shaken and stirred: a critical review on the ecotoxicology of pharmaceutical mixtures

    PubMed Central

    Backhaus, Thomas

    2014-01-01

    Analytical monitoring surveys routinely confirm that organisms in the environment are exposed to complex multi-component pharmaceutical mixtures. We are hence tasked with the challenge to take this into consideration when investigating the ecotoxicology of pharmaceuticals. This review first provides a brief overview of the fundamental approaches for mixture toxicity assessment, which is then followed by a critical review on the empirical evidence that is currently at hand on the ecotoxicology of pharmaceutical mixtures. It is concluded that, while the classical concepts of concentration addition and independent action (response addition) provide a robust scientific footing, several knowledge gaps remain. This includes, in particular, the need for more and better empirical data on the effects of pharmaceutical mixtures on soil organisms as well as marine flora and fauna, and exploring the quantitative consequences of toxicokinetic, toxicodynamic and ecological interactions. Increased focus should be put on investigating the ecotoxicology of pharmaceutical mixtures in environmentally realistic settings. PMID:25405972

  16. Experimental evaluation of drying characteristics of sewage sludge and hazelnut shell mixtures

    NASA Astrophysics Data System (ADS)

    Pehlivan, Hüseyin; Ateş, Asude; Özdemir, Mustafa

    2016-01-01

    In this study the drying behavior of organic and agricultural waste mixtures has been experimentally investigated. The usability of sewage sludge as an organic waste and hazelnut shell as an agricultural waste was assessed in different mixture range. The paper discusses the applicability of these mixtures as a recovery energy source. Moisture content of mixtures has been calculated in laboratory and plant conditions. Indoor and outdoor solar sludge drying plants were constructed in pilot scale for experimental purposes. Dry solids and climatic conditions were constantly measured. A total more than 140 samples including for drying has been carried out to build up results. Indoor and outdoor weather conditions are taken into consideration in winter and summer. The most effective drying capacity is obtained in mixture of 20 % hazelnut shell and 80 % sewage sludge.

  17. Variable mixture ratio performance through nitrogen augmentation

    NASA Technical Reports Server (NTRS)

    Beichel, R.; Obrien, C. J.; Bair, E. K.

    1988-01-01

    High/variable mixture ratio O2/H2 candidate engine cycles are examined for earth-to-orbit vehicle application. Engine performance and power balance information are presented for the candidate cycles relative to chamber pressure, bulk density, and mixture ratio. Included in the cycle screening are concepts where a third fluid (liquid nitrogen) is used to achieve a variable mixture ratio over the trajectory from liftoff to earth orbit. The third fluid cycles offer a very low risk, fully reusable, low operation cost alternative to high/variable mixture ratio bipropellant cycles. Variable mixture ratio engines with extendible nozzle are slightly lower performing than a single mixture ratio engine (MR = 7:1) with extendible nozzle. Dual expander engines (MR = 7:1) have slightly better performance than the single mixture ratio engine. Dual fuel dual expander engines offer a 16 percent improvement over the single mixture ratio engine.

  18. CLUSTERING CRITERIA AND MULTIVARIATE NORMAL MIXTURES

    EPA Science Inventory

    New clustering criteria for use when a mixture of multivariate normal distributions is an appropriate model are presented. They are derived from maximum likelihood and Bayesian approaches corresponding to different assumptions about the covariance matrices of the mixture componen...

  19. Uncertainty in Mixtures and Cumulative Risk Assessment

    EPA Science Inventory

    Humans and environmental species are rarely exposed to single chemicals. These chemicals typically affect multiple tissues through multiple modes of action, which may depend on the dose. Mixtures risk assessment may employ dose response information from the mixture of interest,...

  20. Combined toxicity of pesticide mixtures on green algae and photobacteria.

    PubMed

    Liu, Shu-Shen; Wang, Cheng-Lin; Zhang, Jin; Zhu, Xiang-Wei; Li, Wei-Ying

    2013-09-01

    Different organisms have diverse responses to the same chemicals or mixtures. In this paper, we selected the green algae Chlorella pyrenoidosa (C. pyrenoidosa) and photobacteria Vibrio qinghaiensis sp.-Q67 (V. qinghaiensis) as target organisms and determined the toxicities of six pesticides, including three herbicides (simetryn, bromacil and hexazinone), two fungicides (dodine and metalaxyl) and one insecticide (propoxur), and their mixtures by using the microplate toxicity analysis. The toxicities of three herbicides to C. pyrenoidosa are much higher than those to V. qinghaiensis, and the toxicities of metalaxyl and propoxur to V. qinghaiensis are higher than those to C. pyrenoidosa, while the toxicity of dodine to C. pyrenoidosa is similar to those to V. qinghaiensis. Using the concentration addition as an additive reference model, the binary pesticide mixtures exhibited different toxicity interactions, i.e., displayed antagonism to C. pyrenoidosa but synergism to V. qinghaiensis. However, the toxicities of the multi-component mixtures of more than two components are additive and can be predicted by the concentration addition model. PMID:23816361

  1. Separation and IR Analysis of a Mixture of Organic Compounds.

    ERIC Educational Resources Information Center

    Thompson, Evan M.; Almy, John

    1982-01-01

    Presents an experiment which includes fractional distillation with gas-liquid chromatography (GLC) and infrared analysis. Objectives are to introduce students to fractional distillation and analysis of each fraction by GLC, to induce them to decide if each fraction is sufficient for infrared analysis, and to identify unknowns. (Author/JN)

  2. Analysis of Analgesic Mixtures: An Organic Chemistry Experiment.

    ERIC Educational Resources Information Center

    Martin, Ned H.

    1981-01-01

    Describes an experiment to analyze commercial analgesic preparations (pain relievers) by silica gel thin layer chromatography, followed by preparative (thick) layer chromatographic separation and spectroscopic analysis. Key difference from similar experiments is that students are responsible for devising suitable solvent systems for the thin layer…

  3. Occupational neurotoxicology of organic solvents and solvent mixtures

    SciTech Connect

    Triebig, G. )

    1989-11-01

    The results of two field studies in painters and spray painters, the outcomes of examinations of workers with suspected work-related disease due to solvents, as well as data from an evaluation of an epidemiologic study in painters with confirmed occupational disease, are presented and discussed. The results of these studies and the experiences in occupational medicine in the Federal Republic of Germany do not support the assumption of high neurotoxic risks in solvent-exposed workers, which can be postulated from various epidemiologic studies from Scandinavian countries. Several factors may explain the different conclusions: (1) lower solvent exposures of German painters in the past decades; (2) false positive diagnosis of a toxic encephalopathy; (3) aetiological misclassification; (4) differences in legislation relevant for the acknowledgement of occupational diseases. In conclusion, there is a need for further well-designed epidemiologic studies in occupationally solvent-exposed workers. Suggestions regarding assessment of exposure and neurobehavioral tests are given.

  4. Analysis of Analgesic Mixtures: An Organic Chemistry Experiment.

    ERIC Educational Resources Information Center

    Martin, Ned H.

    1981-01-01

    Describes an experiment to analyze commercial analgesic preparations (pain relievers) by silica gel thin layer chromatography, followed by preparative (thick) layer chromatographic separation and spectroscopic analysis. Key difference from similar experiments is that students are responsible for devising suitable solvent systems for the thin layer

  5. 14 CFR 27.1147 - Mixture controls.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... STANDARDS: NORMAL CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 27.1147 Mixture controls. If there are mixture controls, each engine must have a separate control and the controls must be... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Mixture controls. 27.1147 Section...

  6. 14 CFR 25.1147 - Mixture controls.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Powerplant Controls and Accessories § 25.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control. The controls must be... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Mixture controls. 25.1147 Section...

  7. 14 CFR 29.1147 - Mixture controls.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 29.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and the controls... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Mixture controls. 29.1147 Section...

  8. 14 CFR 25.1147 - Mixture controls.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Mixture controls. 25.1147 Section 25.1147... STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Powerplant Controls and Accessories § 25.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control. The controls must...

  9. 14 CFR 27.1147 - Mixture controls.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Mixture controls. 27.1147 Section 27.1147... STANDARDS: NORMAL CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 27.1147 Mixture controls. If there are mixture controls, each engine must have a separate control and the controls must...

  10. 14 CFR 29.1147 - Mixture controls.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Mixture controls. 29.1147 Section 29.1147... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 29.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and the...

  11. 14 CFR 29.1147 - Mixture controls.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Mixture controls. 29.1147 Section 29.1147... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 29.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and the...

  12. 14 CFR 27.1147 - Mixture controls.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Mixture controls. 27.1147 Section 27.1147... STANDARDS: NORMAL CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 27.1147 Mixture controls. If there are mixture controls, each engine must have a separate control and the controls must...

  13. 14 CFR 25.1147 - Mixture controls.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Mixture controls. 25.1147 Section 25.1147... STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Powerplant Controls and Accessories § 25.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control. The controls must...

  14. 14 CFR 29.1147 - Mixture controls.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Mixture controls. 29.1147 Section 29.1147... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 29.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and the...

  15. 14 CFR 27.1147 - Mixture controls.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Mixture controls. 27.1147 Section 27.1147... STANDARDS: NORMAL CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 27.1147 Mixture controls. If there are mixture controls, each engine must have a separate control and the controls must...

  16. 14 CFR 29.1147 - Mixture controls.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Mixture controls. 29.1147 Section 29.1147... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 29.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control, and the...

  17. 14 CFR 27.1147 - Mixture controls.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Mixture controls. 27.1147 Section 27.1147... STANDARDS: NORMAL CATEGORY ROTORCRAFT Powerplant Powerplant Controls and Accessories § 27.1147 Mixture controls. If there are mixture controls, each engine must have a separate control and the controls must...

  18. 14 CFR 25.1147 - Mixture controls.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Mixture controls. 25.1147 Section 25.1147... STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Powerplant Controls and Accessories § 25.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control. The controls must...

  19. 14 CFR 25.1147 - Mixture controls.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Mixture controls. 25.1147 Section 25.1147... STANDARDS: TRANSPORT CATEGORY AIRPLANES Powerplant Powerplant Controls and Accessories § 25.1147 Mixture controls. (a) If there are mixture controls, each engine must have a separate control. The controls must...

  20. 14 CFR 23.1147 - Mixture controls.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Mixture controls. 23.1147 Section 23.1147... STANDARDS: NORMAL, UTILITY, ACROBATIC, AND COMMUTER CATEGORY AIRPLANES Powerplant Powerplant Controls and Accessories § 23.1147 Mixture controls. (a) If there are mixture controls, each engine must have a...

  1. Plasma polymerization of an ethylene-nitrogen gas mixture

    NASA Technical Reports Server (NTRS)

    Hudis, M.; Wydeven, T.

    1975-01-01

    A procedure has been developed whereby nitrogen can be incorporated into an organic film from an ethylene-nitrogen gas mixture using an internal electrode capacitively coupled radio frequency reactor. The presence of nitrogen has been shown directly by infrared transmittance spectra and electron spectroscopic chemical analysis data, and further indirect evidence was provided by dielectric measurements and by the reverse osmosis properties of the film. Preparation of a nitrogen containing film did not require vapor from an organic nitrogen containing liquid monomer. Some control over the bonding and stoichiometry of the polymer film was provided by the added degree of freedom of the nitrogen partial pressure in the gas mixture. This new parameter strongly affected the dielectric properties of the plasma polymerized film and could affect the reverse osmosis behavior.

  2. Sorption of BTX mixtures to contaminated and uncontaminated site soils

    SciTech Connect

    Uchrin, C.G.; Koshy, K.; Wojtenko, I.

    1995-12-31

    Both adsorption and desorption studies are being performed examining benzene, toluene, and meta-xylene (BTX) as single components, binary mixtures, and trinary mixture onto both existing contaminated soils as well as some uncontaminated reference soils. The contaminated soils were obtained from an oil refinery site and another industrial site in New Jersey. The oil refinery site soil did not exhibit significant amounts of either benzene, toluene or xylene but was contaminated with other compounds while the other industrial site soil was contaminated with toluene among other compounds. The organic carbon content of the soils ranged from 0.14 to 2.91 percent. Preliminary adsorption studies showed BTX to strongly sorb to these soils. The adsorption studies onto the reference soils also demonstrated the effect of organic matter on adsorption. Sequential batch desorption studies show the BTX to desorb quickly, reaching equilibrium within 48 hours. Long-term uptake and release were not noted with these soil/contaminant systems.

  3. Superionic water-ammonia mixtures

    NASA Astrophysics Data System (ADS)

    Bethkenhagen, M.; Cebulla, D.; Redmer, R.; Hamel, S.

    2014-12-01

    The interior of the Giant Planets Uranus and Neptune contains large amounts of water, ammonia and methane (referred to as planetary ices). Many observable properties of these planets, such as luminosity, gravitational moments and magnetic fields, are thought to be determined by the physical and chemical properties of matter within this ice layer. Hence, the phase diagrams, equations of state and structural properties of these materials and their respective mixtures are of great interest.Especially the phase diagrams of water and ammonia gained much attention since Cavazzoni et al. [1] proposed superionic phases for these materials, which are characterized by highly mobile hydrogen ions in a lattice of oxygen and nitrogen ions, respectively. For water, the influence of such a phase on the properties of the Giant Planets as well as on exoplanets has been discussed widely. [2,3] Nevertheless, it is an open question how the properties of such a water layer change when another compound, e.g., ammonia is introduced. Considering a 1:1 mixture, we have performed ab initio simulations based on density functional theory using the VASP code [4] heating up structures which we had found from evolutionary random structure search calculations with XtalOpt [5]. We propose possible superionic water-ammonia structures present up to several Mbar. Moreover, we investigate the equation of state and transport properties of this mixture such as diffusion coefficients in order to compare with the pure compounds. These results are essential to construct new interior models for Neptune-like planets.[1] C. Cavazzoni et al., Science 283, 44 (1999).[2] R. Redmer et al., Icarus 211, 798 (2011).[3] L. Zeng and D. Sasselov, ApJ 784, 96 (2014).[4] G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).[5] D. C. Lonie and E. Zurek, Comput. Phys. Commun. 182, 372 (2011).

  4. Effect of Cement on Emulsified Asphalt Mixtures

    NASA Astrophysics Data System (ADS)

    Oruc, Seref; Celik, Fazil; Akpinar, M. Vefa

    2007-10-01

    Emulsified asphalt mixtures have environmental, economical, and logistical advantages over hot mixtures. However, they have attracted little attention as structural layers due to their inadequate performance and susceptibility to early life damage by rainfall. The objective of this article is to provide an improved insight into how the mechanical properties of emulsion mixtures may be improved and to determine the influence of cement on emulsified asphalt mixtures. Laboratory tests on strength, temperature susceptibility, water damage, creep and permanent deformation were implemented to evaluate the mechanical properties of emulsified asphalt mixtures. The test results showed that mechanical properties of emulsified asphalt mixtures have significantly improved with Portland cement addition. This experimental study suggested that cement modified asphalt emulsion mixtures might be an alternate way of a structural layer material in pavement.

  5. Supercritical Water Mixture (SCWM) Experiment

    NASA Technical Reports Server (NTRS)

    Hicks, Michael C.; Hegde, Uday G.

    2012-01-01

    The subject presentation, entitled, Supercritical Water Mixture (SCWM) Experiment, was presented at the International Space Station (ISS) Increment 33/34 Science Symposium. This presentation provides an overview of an international collaboration between NASA and CNES to study the behavior of a dilute aqueous solution of Na2SO4 (5% w) at near-critical conditions. The Supercritical Water Mixture (SCWM) investigation, serves as important precursor work for subsequent Supercritical Water Oxidation (SCWO) experiments. The SCWM investigation will be performed in DECLICs High Temperature Insert (HTI) for the purpose of studying critical fluid phenomena at high temperatures and pressures. The HTI includes a completely sealed and integrated test cell (i.e., Sample Cell Unit SCU) that will contain approximately 0.3 ml of the aqueous test solution. During the sequence of tests, scheduled to be performed in FY13, temperatures and pressures will be elevated to critical conditions (i.e., Tc = 374C and Pc = 22 MPa) in order to observe salt precipitation, precipitate agglomeration and precipitate transport in the presence of a temperature gradient without the influences of gravitational forces. This presentation provides an overview of the motivation for this work, a description of the DECLIC HTI hardware, the proposed test sequences, and a brief discussion of the scientific research objectives.

  6. Thermodynamics of molten sulfate mixtures

    SciTech Connect

    Misra, A.K.; Whittle, D.P.; Worrell, W.L.

    1982-08-01

    Quantitative studies of the formation of low melting point sulfates were made by equilibrating NiO-Na/sub 2/SO/sub 4/ mixtures with argon-SO/sub 2/-SO/sub 3/-air mixtures of different compositions in the temperature range 1000-1173 K. Using these data and the Na/sub 2/SO/sub 4/-NiSO/sub 4/ phase diagram, the enthalpy of fusion and melting temperature of NiSO/sub 4/ were estimated. An equation is given for the free energy change for the reaction NiO(s)+SO/sub 3/(g).NiSO/sub 4/(l) (dissolved in Na/sub 2/SO/sub 4/). This has then been used to calculate the minimum P/sub SO(3)/ required for liquid sulfate formation. Similar calculations were carried out from existing data for the CoSO/sub 4/-Na/sub 2/SO/sub 4/ system, and verified by a limited number of experiments. The calculated minimum P/sub SO(3)/ required for liquid sulfate formation is approximately an order of magnitude lower for Co-base alloys compared with Ni-base alloys, and the implications of this with regard to hot corrosion are briefly discussed. 16 refs.

  7. Mixture theory-based poroelasticity as a model of interstitial tissue growth

    PubMed Central

    Cowin, Stephen C.; Cardoso, Luis

    2011-01-01

    This contribution presents an alternative approach to mixture theory-based poroelasticity by transferring some poroelastic concepts developed by Maurice Biot to mixture theory. These concepts are a larger RVE and the subRVE-RVE velocity average tensor, which Biot called the micro-macro velocity average tensor. This velocity average tensor is assumed here to depend upon the pore structure fabric. The formulation of mixture theory presented is directed toward the modeling of interstitial growth, that is to say changing mass and changing density of an organism. Traditional mixture theory considers constituents to be open systems, but the entire mixture is a closed system. In this development the mixture is also considered to be an open system as an alternative method of modeling growth. Growth is slow and accelerations are neglected in the applications. The velocity of a solid constituent is employed as the main reference velocity in preference to the mean velocity concept from the original formulation of mixture theory. The standard development of statements of the conservation principles and entropy inequality employed in mixture theory are modified to account for these kinematic changes and to allow for supplies of mass, momentum and energy to each constituent and to the mixture as a whole. The objective is to establish a basis for the development of constitutive equations for growth of tissues. PMID:22184481

  8. Mixture distributions in human genetics research.

    PubMed

    Schork, N J; Allison, D B; Thiel, B

    1996-06-01

    The use of mixture distributions in genetics research dates back to at least the late 1800s when Karl Pearson applied them in an analysis of crab morphometry. Pearson's use of normal mixture distributions to model the mixing of different species of crab (or 'families' of crab as he referred to them) within a defined geographic area motivated further use of mixture distributions in genetics research settings, and ultimately led to their development and recognition as intuitive modelling devices for the effects of underlying genes on quantitative phenotypic (i.e. trait) expression. In addition, mixture distributions are now used routinely to model or accommodate the genetic heterogeneity thought to underlie many human diseases. Specific applications of mixture distribution models in contemporary human genetics research are, in fact, too numerous to count. Despite this long, consistent and arguably illustrious history of use, little mention of mixture distributions in genetics research is made in many recent reviews on mixture models. This review attempts to rectify this by providing insight into the role that mixture distributions play in contemporary human genetics research. Tables providing examples from the literature that describe applications of mixture models in human genetics research are offered as a way of acquainting the interested reader with relevant studies. In addition, some of the more problematic aspects of the use of mixture models in genetics research are outlined and addressed. PMID:8817796

  9. Nonparametric Mixture of Regression Models

    PubMed Central

    Huang, Mian; Li, Runze; Wang, Shaoli

    2013-01-01

    Motivated by an analysis of US house price index data, we propose nonparametric finite mixture of regression models. We study the identifiability issue of the proposed models, and develop an estimation procedure by employing kernel regression. We further systematically study the sampling properties of the proposed estimators, and establish their asymptotic normality. A modified EM algorithm is proposed to carry out the estimation procedure. We show that our algorithm preserves the ascent property of the EM algorithm in an asymptotic sense. Monte Carlo simulations are conducted to examine the finite sample performance of the proposed estimation procedure. An empirical analysis of the US house price index data is illustrated for the proposed methodology. PMID:24363475

  10. Modeling biofiltration of VOC mixtures under steady-state conditions

    SciTech Connect

    Baltzis, B.C.; Wojdyla, S.M.; Zarook, S.M.

    1997-06-01

    Treatment of air streams contaminated with binary volatile organic compound (VOC) mixtures in classical biofilters under steady-state conditions of operation was described with a general mathematical model. The model accounts for potential kinetic interactions among the pollutants, effects of oxygen availability on biodegradation, and biomass diversification in the filter bed. While the effects of oxygen were always taken into account, two distinct cases were considered for the experimental model validation. The first involves kinetic interactions, but no biomass differentiation, used for describing data from biofiltration of benzene/toluene mixtures. The second case assumes that each pollutant is treated by a different type of biomass. Each biomass type is assumed to form separate patches of biofilm on the solid packing material, thus kinetic interference does not occur. This model was used for describing biofiltration of ethanol/butanol mixtures. Experiments were performed with classical biofilters packed with mixtures of peat moss and perlite (2:3, volume:volume). The model equations were solved through the use of computer codes based on the fourth-order Runge-Kutta technique for the gas-phase mass balances and the method of orthogonal collocation for the concentration profiles in the biofilms. Good agreement between model predictions and experimental data was found in almost all cases. Oxygen was found to be extremely important in the case of polar VOCs (ethanol/butanol).

  11. What contributes to the combined effect of a complex mixture?

    PubMed

    Altenburger, Rolf; Walter, Helge; Grote, Matthias

    2004-12-01

    The effect of a mixture of 10 compounds, which have previously been identified in an effect-directed analysis as potentially relevant for a specific contaminated riverine sediment (Brack et al. Arch. Environ. Contam. Toxicol. 1999, 37, 164), were investigated for the underlying joint effect. Components identified in an organic sediment extract included several PAHs (benzo[ghi]fluoranthene, benz[a]anthracene, fluoranthene, pyrene, 2-phenylnaphthalene, anthracene, and phenanthrene) plus prometryn, N-phenyl-2-naphthylamine, and parathion-methyl. Experiments were performed using a one-generation algal bioassay with the unicellular green algae Scenedesmus vacuolatus as well as chlorophyll fluorescence quenching analysis to describe the effects of the components and mixtures thereof. Analysis of the mixture effects based on concentration-response modeling of the effect data reveals that indeed effect contributions of several components can be expected although the mixture ratio is not equitoxic and the individual components vary greatly with respect to biological effect. Comparing predicted and observed mixture effects, the combined effect may not be attributed to a joint narcotic effect of the mixture components. Evidently, some of the components act specifically and dissimilar and may therefore be best described in their combined effect by response addition while for others a similar mode of action seems plausible. Chlorophyll fluorescence quenching analysis supports to discriminate between prometryn, N-phenyl-2-naphthylamine, and PAHs. A joint model for calculating the combined effect using concentration addition for the suspected unspecifically acting components in algae (PAHs and parathion-methyl) and subsequently response addition for this group and the other components clearly improves the description of the observed combined effect. Allocation of effect contributions to specific components using toxic units or effect contributions lead to different judgments. The observed combined effect of a 3-compound mixture of prometryn, N-phenyl-2-naphthylamine, and benzo[ghi]fluoranthene is indistinguishable from the effects of the original 10-compound mixture, demonstrating the need in site-specific assessment of complex contamination to account for the mode of action of contaminants. Implications forthe confirmation step in effect-directed analysis of substances causing effects in complex contaminated samples are discussed. PMID:15597892

  12. Performance Test for Open Grade Bitumen and Cement Mixture OGBC-20

    NASA Astrophysics Data System (ADS)

    Li, Y. Y.; Wu, Z. L.; Li, C. M.; Gan, X. Z.; Xiong, X. J.

    For effective prevention of urban road intersection special sections for nit diseases and improving the pavement durability, an open grade bitumen and cement (OGBC-20) mixture is proposed. In organic hydraulic cement mixture design, mix proportion designs of cement mortar and matrix open-graded bitumen were done. The matrix mixture gradation was adjusted .It has greater void of air volume than that of ATPB-25. A variety of tests in laboratory for OGBC-20 were performed. The experimental results show that: The void of air volume of adjusted gradation matrix asphalt mixture is up to 23%. and binder drainage loss is ≤ 0.3%. Cement mortar filling is fuller and better water stability and low temperature crack resistance compared to ordinary bitumen mixture. It has the absolute advantage on high temperature stability and shows the superiority of the new pavement materials.

  13. Performance-based asphalt mixture design methodology

    NASA Astrophysics Data System (ADS)

    Ali, Al-Hosain Mansour

    Today, several State D.O.T.s are being investigating the use of tire rubber with local conventional materials. Several of the ongoing investigations identified potential benefits from the use of these materials, including improvements in material properties and performance. One of the major problems is being associated with the transferability of asphalt rubber technology without appropriately considering the effects of the variety of conventional materials on mixture behavior and performance. Typically, the design of these mixtures is being adapted to the physical properties of the conventional materials by using the empirical Marshall mixture design and without considering fundamental mixture behavior and performance. Use of design criteria related to the most common modes of failure for asphalt mixtures, such as rutting, fatigue cracking, and low temperature thermal cracking have to be developed and used for identifying the "best mixture," in term of performance, for the specific local materials and loading conditions. The main objective of this study was the development of a mixture design methodology that considers mixture behavior and performance. In order to achieve this objective a laboratory investigation able to evaluate mixture properties that can be related to mixture performance, (in terms of rutting, low temperature cracking, moisture damage and fatigue), and simulating the actual field loading conditions that the material is being exposed to, was conducted. The results proved that the inclusion of rubber into asphalt mixtures improved physical characteristics such as elasticity, flexibility, rebound, aging properties, increased fatigue resistance, and reduced rutting potential. The possibility of coupling the traditional Marshall mix design method with parameters related to mixture behavior and performance was investigated. Also, the SHRP SUPERPAVE mix design methodology was reviewed and considered in this study for the development of an integrated performance based design procedure. Finally, the developed guidelines with easy-to-use flow charts for the integrated mix design methodology are presented.

  14. Dielectric gas mixtures containing sulfur hexafluoride

    DOEpatents

    Cooke, Chathan M.

    1979-01-01

    Electrically insulating gaseous media of unexpectedly high dielectric strength comprised of mixtures of two or more dielectric gases are disclosed wherein the dielectric strength of at least one gas in each mixture increases at less than a linear rate with increasing pressure and the mixture gases are present in such proportions that the sum of their electrical discharge voltages at their respective partial pressures exceeds the electrical discharge voltage of each individual gas at the same temperature and pressure as that of the mixture.

  15. Overview of human health and chemical mixtures: problems facing developing countries.

    PubMed

    Yáñ ez, Leticia; Ortiz, Deogracias; Calderón, Jaqueline; Batres, Lilia; Carrizales, Leticia; Mejía, Jesús; Martínez, Lourdes; García-Nieto, Edelmira; Díaz-Barriga, Fernando

    2002-12-01

    In developing countries, chemical mixtures within the vicinity of small-scale enterprises, smelters, mines, agricultural areas, toxic waste disposal sites, etc., often present a health hazard to the populations within those vicinities. Therefore, in these countries, there is a need to study the toxicological effects of mixtures of metals, pesticides, and organic compounds. However, the study of mixtures containing substances such as DDT (dichlorodiphenyltrichloroethane, an insecticide banned in developed nations), and mixtures containing contaminants such as fluoride (of concern only in developing countries) merit special attention. Although the studies may have to take into account simultaneous exposures to metals and organic compounds, there is also a need to consider the interaction between chemicals and other specific factors such as nutritional conditions, alcoholism, smoking, infectious diseases, and ethnicity. PMID:12634117

  16. Overview of human health and chemical mixtures: problems facing developing countries.

    PubMed Central

    Yáñ ez, Leticia; Ortiz, Deogracias; Calderón, Jaqueline; Batres, Lilia; Carrizales, Leticia; Mejía, Jesús; Martínez, Lourdes; García-Nieto, Edelmira; Díaz-Barriga, Fernando

    2002-01-01

    In developing countries, chemical mixtures within the vicinity of small-scale enterprises, smelters, mines, agricultural areas, toxic waste disposal sites, etc., often present a health hazard to the populations within those vicinities. Therefore, in these countries, there is a need to study the toxicological effects of mixtures of metals, pesticides, and organic compounds. However, the study of mixtures containing substances such as DDT (dichlorodiphenyltrichloroethane, an insecticide banned in developed nations), and mixtures containing contaminants such as fluoride (of concern only in developing countries) merit special attention. Although the studies may have to take into account simultaneous exposures to metals and organic compounds, there is also a need to consider the interaction between chemicals and other specific factors such as nutritional conditions, alcoholism, smoking, infectious diseases, and ethnicity. PMID:12634117

  17. Acute toxicity of binary and ternary mixtures of Cd, Cu, and Zn to Daphnia magna.

    PubMed

    Meyer, Joseph S; Ranville, James F; Pontasch, Mandee; Gorsuch, Joseph W; Adams, William J

    2015-04-01

    Standard static-exposure acute lethality tests were conducted with Daphnia magna neonates exposed to binary or ternary mixtures of Cd, Cu, and Zn in moderately hard reconstituted water that contained 3 mg dissolved organic carbon/L added as Suwannee River fulvic acid. These experiments were conducted to test for additive toxicity (i.e., the response to the mixture can be predicted by combining the responses obtained in single-metal toxicity tests) or nonadditive toxicity (i.e., the response is less than or greater than additive). Based on total metal concentrations (>90% dissolved) the toxicity of the tested metal mixtures could be categorized into all 3 possible additivity categories: less-than-additive toxicity (e.g., Cd-Zn and Cd-Cu-Zn mixtures and Cd-Cu mixtures when Cu was titrated into Cd-containing waters), additive toxicity (e.g., some Cu-Zn mixtures), or more-than-additive toxicity (some Cu-Zn mixtures and Cd-Cu mixtures when Cd was titrated into Cu-containing waters). Exposing the organisms to a range of sublethal to supralethal concentrations of the titrated metal was especially helpful in identifying nonadditive interactions. Geochemical processes (e.g., metal-metal competition for binding to dissolved organic matter and/or the biotic ligand, and possibly supersaturation of exposure waters with the metals in some high-concentration exposures) can explain much of the observed metal-metal interactions. Therefore, bioavailability models that incorporate those geochemical (and possibly some physiological) processes might be able to predict metal mixture toxicity accurately. PMID:25336231

  18. Purification of metal-organic framework materials

    DOEpatents

    Farha, Omar K.; Hupp, Joseph T.

    2015-06-30

    A method of purification of a solid mixture of a metal-organic framework (MOF) material and an unwanted second material by disposing the solid mixture in a liquid separation medium having a density that lies between those of the wanted MOF material and the unwanted material, whereby the solid mixture separates by density differences into a fraction of wanted MOF material and another fraction of unwanted material.

  19. Purification of metal-organic framework materials

    DOEpatents

    Farha, Omar K.; Hupp, Joseph T.

    2012-12-04

    A method of purification of a solid mixture of a metal-organic framework (MOF) material and an unwanted second material by disposing the solid mixture in a liquid separation medium having a density that lies between those of the wanted MOF material and the unwanted material, whereby the solid mixture separates by density differences into a fraction of wanted MOF material and another fraction of unwanted material.

  20. Deciding which chemical mixtures risk assessment methods work best for what mixtures

    SciTech Connect

    Teuschler, Linda K.

    2007-09-01

    The most commonly used chemical mixtures risk assessment methods involve simple notions of additivity and toxicological similarity. Newer methods are emerging in response to the complexities of chemical mixture exposures and effects. Factors based on both science and policy drive decisions regarding whether to conduct a chemical mixtures risk assessment and, if so, which methods to employ. Scientific considerations are based on positive evidence of joint toxic action, elevated human exposure conditions or the potential for significant impacts on human health. Policy issues include legislative drivers that may mandate action even though adequate toxicity data on a specific mixture may not be available and risk assessment goals that impact the choice of risk assessment method to obtain the amount of health protection desired. This paper discusses three important concepts used to choose among available approaches for conducting a chemical mixtures risk assessment: (1) additive joint toxic action of mixture components; (2) toxicological interactions of mixture components; and (3) chemical composition of complex mixtures. It is proposed that scientific support for basic assumptions used in chemical mixtures risk assessment should be developed by expert panels, risk assessment methods experts, and laboratory toxicologists. This is imperative to further develop and refine quantitative methods and provide guidance on their appropriate applications. Risk assessors need scientific support for chemical mixtures risk assessment methods in the form of toxicological data on joint toxic action for high priority mixtures, statistical methods for analyzing dose-response for mixtures, and toxicological and statistical criteria for determining sufficient similarity of complex mixtures.

  1. Enthalpy characteristics of sodium phenylalaninate solvation in mixtures of water with ethanol at 298 K

    NASA Astrophysics Data System (ADS)

    Vandyshev, V. N.; Litova, N. A.

    2013-02-01

    The heat effects of mixing for aqueous solutions of sodium phenylalaninate (NaPheAla) with mixtures of water and ethanol are measured by calorimetry at 298.15 K. The standard enthalpies of transfer of a stoichiometric mixture of ions, and of an organic ion of α-PheAla- from water to water-alcohol mixtures are calculated. The enthalpy coefficients of binary and ternary ion-alcohol interactions are calculated using the McMillan-Mayer theory. The obtained enthalpy characteristics are compared with previously studied systems containing synthetic β- and natural α-alanine.

  2. Time-dependence in mixture toxicity prediction

    PubMed Central

    Dawson, Douglas A.; Allen, Erin M.G.; Allen, Joshua L.; Baumann, Hannah J.; Bensinger, Heather M.; Genco, Nicole; Guinn, Daphne; Hull, Michael W.; Il'Giovine, Zachary J.; Kaminski, Chelsea M.; Peyton, Jennifer R.; Schultz, T. Wayne; Pöch, Gerald

    2014-01-01

    The value of time-dependent toxicity (TDT) data in predicting mixture toxicity was examined. Single chemical (A and B) and mixture (A + B) toxicity tests using Microtox® were conducted with inhibition of bioluminescence (Vibrio fischeri) being quantified after 15, 30 and 45-min of exposure. Single chemical and mixture tests for 25 sham (A1:A2) and 125 true (A:B) combinations had a minimum of seven duplicated concentrations with a duplicated control treatment for each test. Concentration/response (x/y) data were fitted to sigmoid curves using the five-parameter logistic minus one parameter (5PL-1P) function, from which slope, EC25, EC50, EC75, asymmetry, maximum effect, and r2 values were obtained for each chemical and mixture at each exposure duration. Toxicity data were used to calculate percentage-based TDT values for each individual chemical and mixture of each combination. Predicted TDT values for each mixture were calculated by averaging the TDT values of the individual components and regressed against the observed TDT values obtained in testing, resulting in strong correlations for both sham (r2 = 0.989, n = 25) and true mixtures (r2 = 0.944, n = 125). Additionally, regression analyses confirmed that observed mixture TDT values calculated for the 50% effect level were somewhat better correlated with predicted mixture TDT values than at the 25 and 75% effect levels. Single chemical and mixture TDT values were classified into five levels in order to discern trends. The results suggested that the ability to predict mixture TDT by averaging the TDT of the single agents was modestly reduced when one agent of the combination had a positive TDT value and the other had a minimal or negative TDT value. PMID:25446331

  3. Limit of miscibility and nanophase separation in associated mixtures.

    PubMed

    Artola, P A; Raihane, A; Crauste-Thibierge, C; Merlet, D; Emo, M; Alba-Simionesco, C; Rousseau, B

    2013-08-22

    We present a detailed analysis of the mixing process in an associating system, the water-tert-butanol (2-methyl-2-propanol) mixture. Using molecular dynamics simulations, together with neutron, X-ray diffraction experiments, and pulsed gradient spin-echo NMR, we study the local structure and dynamic properties over the full concentration range, and thereby provide quantitative data that reveal relationships between local structure and macroscopic behavior. For an alcohol-rich mixture, diffraction patterns from both neutron and X-ray experiments exhibit a peak at low wavelength vector (q ≈ 0.7 Å(-1)) characteristic of supermolecular structures. On increasing the water content, this "prepeak" progressively flattens and shifts to low wave vector . We identify hydrogen bonds in the system as the driving force for the specific organization that appears in mixtures, and provide an analysis of the variation of the cluster size distribution with composition. We find that the sizes of local hydrogen-bonded clusters observed in alcohol-rich mixtures become larger as the mole fraction, x(w), of water is increased; a nanophase separation is seen for x(w) in the range 0.6-0.7. This corresponds to several changes in some macroscopic properties of the liquid mixture. Thus, we propose a microscopic description of the effect of water addition in alcohol, which is in agreement with both neutron diffraction pattern and mobility of water and alcohol species. In summary we present a full and comprehensive description of miscibility at its limit in an associated system. PMID:23937163

  4. Automatic NMR-Based Identification of Chemical Reaction Types in Mixtures of Co-Occurring Reactions

    PubMed Central

    Latino, Diogo A. R. S.; Aires-de-Sousa, João

    2014-01-01

    The combination of chemoinformatics approaches with NMR techniques and the increasing availability of data allow the resolution of problems far beyond the original application of NMR in structure elucidation/verification. The diversity of applications can range from process monitoring, metabolic profiling, authentication of products, to quality control. An application related to the automatic analysis of complex mixtures concerns mixtures of chemical reactions. We encoded mixtures of chemical reactions with the difference between the 1H NMR spectra of the products and the reactants. All the signals arising from all the reactants of the co-occurring reactions were taken together (a simulated spectrum of the mixture of reactants) and the same was done for products. The difference spectrum is taken as the representation of the mixture of chemical reactions. A data set of 181 chemical reactions was used, each reaction manually assigned to one of 6 types. From this dataset, we simulated mixtures where two reactions of different types would occur simultaneously. Automatic learning methods were trained to classify the reactions occurring in a mixture from the 1H NMR-based descriptor of the mixture. Unsupervised learning methods (self-organizing maps) produced a reasonable clustering of the mixtures by reaction type, and allowed the correct classification of 80% and 63% of the mixtures in two independent test sets of different similarity to the training set. With random forests (RF), the percentage of correct classifications was increased to 99% and 80% for the same test sets. The RF probability associated to the predictions yielded a robust indication of their reliability. This study demonstrates the possibility of applying machine learning methods to automatically identify types of co-occurring chemical reactions from NMR data. Using no explicit structural information about the reactions participants, reaction elucidation is performed without structure elucidation of the molecules in the mixtures. PMID:24551112

  5. Automatic NMR-based identification of chemical reaction types in mixtures of co-occurring reactions.

    PubMed

    Latino, Diogo A R S; Aires-de-Sousa, João

    2014-01-01

    The combination of chemoinformatics approaches with NMR techniques and the increasing availability of data allow the resolution of problems far beyond the original application of NMR in structure elucidation/verification. The diversity of applications can range from process monitoring, metabolic profiling, authentication of products, to quality control. An application related to the automatic analysis of complex mixtures concerns mixtures of chemical reactions. We encoded mixtures of chemical reactions with the difference between the (1)H NMR spectra of the products and the reactants. All the signals arising from all the reactants of the co-occurring reactions were taken together (a simulated spectrum of the mixture of reactants) and the same was done for products. The difference spectrum is taken as the representation of the mixture of chemical reactions. A data set of 181 chemical reactions was used, each reaction manually assigned to one of 6 types. From this dataset, we simulated mixtures where two reactions of different types would occur simultaneously. Automatic learning methods were trained to classify the reactions occurring in a mixture from the (1)H NMR-based descriptor of the mixture. Unsupervised learning methods (self-organizing maps) produced a reasonable clustering of the mixtures by reaction type, and allowed the correct classification of 80% and 63% of the mixtures in two independent test sets of different similarity to the training set. With random forests (RF), the percentage of correct classifications was increased to 99% and 80% for the same test sets. The RF probability associated to the predictions yielded a robust indication of their reliability. This study demonstrates the possibility of applying machine learning methods to automatically identify types of co-occurring chemical reactions from NMR data. Using no explicit structural information about the reactions participants, reaction elucidation is performed without structure elucidation of the molecules in the mixtures. PMID:24551112

  6. Results of the IPCS collaborative study on complex mixtures

    SciTech Connect

    Claxton, L.D.; Creason, J.; Leroux, B.; Agurell, E.; Bagley, S.

    1992-01-01

    The International Program on Chemical Safety (IPCS) sponsored a collaborative study to examine the intra- and interlaboratory variation associated with the preparation and bioassay of complex chemical mixtures. The mixtures selected were National Institute of Standards and Technology (NIST) Standard Reference Materials (SRM). Twenty laboratories worldwide participated in the study. The participating laboratories extracted the organic portion of two particulate samples--an air particulate sample and a diesel particulate sample--and bioassayed the extracts. The laboratories simultaneously bioassayed a NIST-prepared extract of coal tar and two control compounds (benzo(a)pyrene, and 1-nitropyrene). The bioassay method used was the Salmonella/mammalian microsome plate-incorporation test using strains TA98 and TA100. Study design also allowed for a comparison of sonication and Soxhlet extraction techniques. The particulates samples were mutagenic in both strains with and without activation in all twenty laboratories. The paper provides a complete summary of the data collected during the collaborative study.

  7. Ultracentrifuge for separating fluid mixtures

    DOEpatents

    Lowry, Ralph A.

    1976-01-01

    1. A centrifuge for the separation of fluid mixtures having light and heavy fractions comprising a cylindrical rotor, disc type end-plugs closing the ends of the rotor, means for mounting said rotor for rotation about its cylindrical axis, a housing member enclosing the rotor, a vacuum chamber in said housing about the central portion of the rotor, a collection chamber at each end of the housing, the innermost side of which is substantially formed by the outer face of the end-plug, means for preventing flow of the fluid from the collection chambers to said vacuum chamber, at least one of said end-plugs having a plurality of holes therethrough communicating between the collection chamber adjacent thereto and the inside of the rotor to induce countercurrent flow of the fluid in the centrifuge, means for feeding fluid to be processed into the centrifuge, means communicating with the collection chambers to extract the light and heavy separated fractions of the fluid, and means for rotating the rotor.

  8. Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research

    SciTech Connect

    Riley, R.G.; Zachara, J.M.

    1992-04-01

    This report identifies individual contaminants and contaminant mixtures that have been measured in the ground at 91 waste sites at 18 US Department of Energy (DOE) facilities within the weapons complex. The inventory of chemicals and mixtures was used to identify generic chemical mixtures to be used by DOE`s Subsurface Science Program in basic research on the subsurface geochemical and microbiological behavior of mixed contaminants (DOE 1990a and b). The generic mixtures contain specific radionuclides, metals, organic ligands, organic solvents, fuel hydrocarbons, and polychlorinated biphenyls (PCBs) in various binary and ternary combinations. The mixtures are representative of in-ground contaminant associations at DOE facilities that are likely to exhibit complex geochemical behavior as a result of intercontaminant reactions and/or microbiologic activity stimulated by organic substances. Use of the generic mixtures will focus research on important mixed contaminants that are likely to be long-term problems at DOE sites and that will require cleanup or remediation. The report provides information on the frequency of associations among different chemicals and compound classes at DOE waste sites that require remediation.

  9. Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research

    SciTech Connect

    Riley, R.G.; Zachara, J.M. )

    1992-04-01

    This report identifies individual contaminants and contaminant mixtures that have been measured in the ground at 91 waste sites at 18 US Department of Energy (DOE) facilities within the weapons complex. The inventory of chemicals and mixtures was used to identify generic chemical mixtures to be used by DOE's Subsurface Science Program in basic research on the subsurface geochemical and microbiological behavior of mixed contaminants (DOE 1990a and b). The generic mixtures contain specific radionuclides, metals, organic ligands, organic solvents, fuel hydrocarbons, and polychlorinated biphenyls (PCBs) in various binary and ternary combinations. The mixtures are representative of in-ground contaminant associations at DOE facilities that are likely to exhibit complex geochemical behavior as a result of intercontaminant reactions and/or microbiologic activity stimulated by organic substances. Use of the generic mixtures will focus research on important mixed contaminants that are likely to be long-term problems at DOE sites and that will require cleanup or remediation. The report provides information on the frequency of associations among different chemicals and compound classes at DOE waste sites that require remediation.

  10. Gas mixtures for spark gap closing switches

    DOEpatents

    Christophorou, L.G.; McCorkle, D.L.; Hunter, S.R.

    1987-02-20

    Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low molecular weight, inert buffer gases. To this can be added a third gas having a low ionization potential relative to the buffer gas. The gas mixtures presented possess properties that optimized the efficiency spark gap closing switches. 6 figs.

  11. Gas mixtures for spark gap closing switches

    DOEpatents

    Christophorou, Loucas G.; McCorkle, Dennis L.; Hunter, Scott R.

    1988-01-01

    Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low molecular weight, inert buffer gases. To this can be added a third gas having a low ionization potential relative to the buffer gas. The gas mixtures presented possess properties that optimized the efficiency spark gap closing switches.

  12. Mixture Modeling of Individual Learning Curves

    ERIC Educational Resources Information Center

    Streeter, Matthew

    2015-01-01

    We show that student learning can be accurately modeled using a mixture of learning curves, each of which specifies error probability as a function of time. This approach generalizes Knowledge Tracing [7], which can be viewed as a mixture model in which the learning curves are step functions. We show that this generality yields order-of-magnitude…

  13. 21 CFR 82.6 - Certifiable mixtures.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 1 2013-04-01 2013-04-01 false Certifiable mixtures. 82.6 Section 82.6 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF CERTIFIED... mixture is harmless and suitable for use therein; and (3) No diluent (except resins, natural gum,...

  14. 21 CFR 82.6 - Certifiable mixtures.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 1 2012-04-01 2012-04-01 false Certifiable mixtures. 82.6 Section 82.6 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF CERTIFIED... mixture is harmless and suitable for use therein; and (3) No diluent (except resins, natural gum,...

  15. 21 CFR 82.6 - Certifiable mixtures.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Certifiable mixtures. 82.6 Section 82.6 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF CERTIFIED... mixture is harmless and suitable for use therein; and (3) No diluent (except resins, natural gum,...

  16. 21 CFR 82.6 - Certifiable mixtures.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 1 2014-04-01 2014-04-01 false Certifiable mixtures. 82.6 Section 82.6 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF CERTIFIED... mixture is harmless and suitable for use therein; and (3) No diluent (except resins, natural gum,...

  17. The Potential of Growth Mixture Modelling

    ERIC Educational Resources Information Center

    Muthen, Bengt

    2006-01-01

    The authors of the paper on growth mixture modelling (GMM) give a description of GMM and related techniques as applied to antisocial behaviour. They bring up the important issue of choice of model within the general framework of mixture modelling, especially the choice between latent class growth analysis (LCGA) techniques developed by Nagin and…

  18. COMPLEX MIXTURES AND GROUND WATER QUALITY

    EPA Science Inventory

    Experience has shown that many soil and ground-water contamination problems involve complex mixtures of chemicals. his manuscript identifies and discusses, in a generic sense, some of the important processes which must be considered when dealing with complex mixtures in the subsu...

  19. RENAL CANCER STUDIES OF DRINKING WATER MIXTURES

    EPA Science Inventory

    Current default risk assessments for chemical mixtures assume additivity of carcinogenic effects but this may under or over represent the actual biological response. A rodent model of hereditary renal cancer (Eker rat) was used to evaluate the carcinogenicity of a mixture of DBPs...

  20. Separation of gas mixtures by centrifugation

    NASA Technical Reports Server (NTRS)

    Park, C.; Love, W. L.

    1972-01-01

    Magnetohydrodynamic (MHD) centrifuge utilizing electric currents and magnetic fields produces a magnetic force which develops supersonic rotational velocities in gas mixtures. Device is superior to ordinary centrifuges because rotation of gas mixture is produced by MHD force rather than mechanical means.

  1. Process Dissociation and Mixture Signal Detection Theory

    ERIC Educational Resources Information Center

    DeCarlo, Lawrence T.

    2008-01-01

    The process dissociation procedure was developed in an attempt to separate different processes involved in memory tasks. The procedure naturally lends itself to a formulation within a class of mixture signal detection models. The dual process model is shown to be a special case. The mixture signal detection model is applied to data from a widely…

  2. THE RECOVERY OF URANIUM FROM GAS MIXTURE

    DOEpatents

    Jury, S.H.

    1964-03-17

    A method of separating uranium from a mixture of uranium hexafluoride and other gases is described that comprises bringing the mixture into contact with anhydrous calcium sulfate to preferentially absorb the uranium hexafluoride on the sulfate. The calcium sulfate is then leached with a selective solvent for the adsorbed uranium. (AEC)

  3. 21 CFR 82.6 - Certifiable mixtures.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 1 2011-04-01 2011-04-01 false Certifiable mixtures. 82.6 Section 82.6 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF CERTIFIED... mixture is harmless and suitable for use therein; and (3) No diluent (except resins, natural gum,...

  4. Prediction of viscosity of dense fluid mixtures

    NASA Astrophysics Data System (ADS)

    Royal, Damian D.; Vesovic, Velisa; Trusler, J. P. Martin; Wakeham, William. A.

    The Vesovic-Wakeham (VW) method of predicting the viscosity of dense fluid mixtures has been improved by implementing new mixing rules based on the rigid sphere formalism. The proposed mixing rules are based on both Lebowitz's solution of the Percus-Yevick equation and on the Carnahan-Starling equation. The predictions of the modified VW method have been compared with experimental viscosity data for a number of diverse fluid mixtures: natural gas, hexane + hheptane, hexane + octane, cyclopentane + toluene, and a ternary mixture of hydrofluorocarbons (R32 + R125 + R134a). The results indicate that the proposed improvements make possible the extension of the original VW method to liquid mixtures and to mixtures containing polar species, while retaining its original accuracy.

  5. Mixture of Skewed α-Stable Distributions

    NASA Astrophysics Data System (ADS)

    Shojaei, S. R. Hosseini; Nassiri, V.; Mohammadian, Gh. R.; Mohammadpour, A.

    2011-03-01

    Expectation maximization (EM) algorithm and the Bayesian techniques are two approaches for statistical inference of mixture models [3, 4]. By noting the advantages of the Bayesian methods, practitioners prefer them. However, implementing Markov chain Monte Carlo algorithms can be very complicated for stable distributions, due to the non-analytic density or distribution function formulas. In this paper, we introduce a new class of mixture of heavy-tailed distributions, called mixture of skewed stable distributions. Skewed stable distributions belongs to the exponential family and they have analytic density representation. It is shown that skewed stable distributions dominate skew stable distribution functions and they can be used to model heavy-tailed data. The class of skewed stable distributions has an analytic representation for its density function and the Bayesian inference can be done similar to the exponential family of distributions. Finally, mixture of skewed stable distributions are compared to the mixture of stable distributions through a simulations study.

  6. Measuring component effects in constrained mixture experiments

    SciTech Connect

    Piepel, G.F.

    1981-07-01

    In a mixture experiment, the response to a mixture of q components is a function of the proportions of each in the mixture. Experimentation often takes place within a constraint region imposed by economic or theoretic restrictions on proportions of components. The experimenter's goal is usually twofold: (1) to determine which mixture components affect the response and (2) to identify component combinations which yield optimum results. Measures of the effect each component has on the response are helpful in achieving these goals. A new measure of component effects in constrained mixture experiments is compared to two previous suggestions. The three techniques are seen to use varying amounts of information about the size, shape and location of the constraint region and thus may yield different results. A more complete picture of the response surface is given by using all three techniques instead of any one, as is illustrated in an example.

  7. Development and optimization of methodologies for analysis of complex hydrocarbon mixtures. Summary of progress, 1 January-31 August, 1980

    SciTech Connect

    Laub, R.J.

    1980-01-01

    This progress report describes studies designed to explore and to clarify the a priori prediction of optimum conditions for the chromatographic separation of complex mixtures of organic compounds of significance to the Department of Energy.

  8. Surface and Interfacial Properties of Nonaqueous-Phase Liquid Mixtures Released to the Subsurface at the Hanford Site

    SciTech Connect

    Nellis, Scott; Yoon, Hongkyu; Werth, Charlie; Oostrom, Martinus; Valocchi, Albert J.

    2009-05-01

    Surface and interfacial tensions that arise at the interface between different phases are key parameters affecting Nonaqueous Phase Liquid (NAPL) movement and redistribution in the vadose zone after spill events. In this study, the impact of major additive components on surface and interfacial tensions for organic mixtures and wastewater was investigated. Organic mixture and wastewater compositions are based upon carbon tetrachloride (CT) mixtures released at the Hanford site, where CT was discharged simultaneously with dibutyl butyl phosphonate (DBBP), tributyl phosphate (TBP), dibutyl phosphate (DBP), and a machining lard oil (LO). A considerable amount of wastewater consisting primarily of nitrates and metal salts was also discharged. The tension values measured in this study revealed that the addition of these additive components caused a significant lowering of the interfacial tension with water or wastewater and the surface tension of the wastewater phase in equilibrium with the organic mixtures, compared to pure CT, but had minimal effect on the surface tension of the NAPL itself. These results lead to large differences in spreading coefficients for several mixtures, where the additives caused both a higher (more spreading) initial spreading coefficient and a lower (less spreading) equilibrium spreading coefficient. This indicates that if these mixtures migrate into uncontaminated areas, they will tend to spread quickly, but form a higher residual NAPL saturation after equilibrium, as compared to pure CT. Over time, CT likely volatilizes more rapidly than other components in the originally disposed mixtures and the lard oil and phosphates would become more concentrated in the remaining NAPL, resulting in a lower interfacial tension for the mixture. Spreading coefficients are expected to increase and perhaps change the equilibrated organic mixtures from nonspreading to spreading in water-wetting porous media. These results show that the behavior of organic chemical mixtures should be accounted for in numerical flow and transport models.

  9. Impact of Organic Contamination on Some Aquatic Organisms

    PubMed Central

    Yasser, El-Nahhal; Shawkat, El-Najjar; Samir, Afifi

    2015-01-01

    Background: Contamination of water systems with organic compounds of agricultural uses pose threats to aquatic organisms. Carbaryl, chlorpyrifos, and diuron were considered as model aquatic pollutants in this study. The main objective of this study was to characterize the toxicity of organic contamination to two different aquatic organisms. Materials and Methods: Low concentrations (0.0–60 µmol/L) of carbaryl, diuron and very low concentration (0.0–0.14 µmol/L) of chlorpyrifos and their mixtures were tested against fish and Daphnia magna. Percentage of death and immobilization were taken as indicators of toxicity. Results: Toxicity results to fish and D. magna showed that chlorpyrifos was the most toxic compound (LC50 to fish and D. magna are 0.08, and 0.001 µmol/L respectively), followed by carbaryl (LC50 to fish and D. magna are 43.19 and 0.031 µmol/L), while diuron was the least toxic one (LC50 values for fish and D. magna are 43.48 and 32.11 µmol/L respectively). Mixture toxicity (binary and tertiary mixtures) showed antagonistic effects. Statistical analysis showed a significant difference among mixture toxicities to fish and D. magma. Conclusion: Fish and D. magam were sensitive to low concentrations. These data suggest potent threats to aquatic organisms from organic contamination. PMID:26862260

  10. Single and mixture toxicity of pharmaceuticals and chlorophenols to freshwater algae Chlorella vulgaris.

    PubMed

    Geiger, Elisabeth; Hornek-Gausterer, Romana; Saçan, Melek Türker

    2016-07-01

    Organisms in the aquatic environment are exposed to a variety of substances of numerous chemical classes. The unintentional co-occurrence of pharmaceuticals and other contaminants of emerging concern may pose risk to non-target organisms. In this study, individual and binary mixture toxicity experiments of selected pharmaceuticals (ibuprofen and ciprofloxacin) and chlorophenols (2.4-dichlorophenol (2,4-DCP) and 3-chlorophenol (3-CP)) have been performed with freshwater algae Chlorella vulgaris. All experiments have been carried out according to the 96-h algal growth inhibition test OECD No. 201. Binary mixture tests were conducted using proportions of the respective IC50s in terms of toxic unit (TU). The mixture concentration-response curve was compared to predicted effects based on both the concentration addition (CA) and the independent action (IA) model. Additionally, the Combination Index (CI)-isobologram equation method was used to assess toxicological interactions of the binary mixtures. All substances individually tested had a significant effect on C. vulgaris population density and revealed IC50 values <100mgL(-1) after exposure period of 96-h. The toxic ranking of these four compounds to C. vulgaris was 2,4-DCP>ciprofloxacin>3-CP>ibuprofen. Generally, it can be concluded from this study that toxic mixture effects of all tested chemicals to C. vulgaris are higher than the individual effect of each mixture component. It could be demonstrated that IC50 values of the tested mixtures predominately lead to additive effects. The CA model is appropriate to estimate mixture toxicity, while the IA model tends to underestimate the joint effect. The CI-isobologram equation method predicted the mixtures accurately and elicited synergism at low effect levels for the majority of tested combinations. PMID:27045919

  11. SEPARATION OF POLONIUM, PROTACTINIUM OR MIXTURES THEREOF IN AQUEOUS SOLUTION FROM BISMUTH, LEAD, ZIRCONIUM AND/OR COLUMBIUM VALUES

    DOEpatents

    Van Winkle, Q.; Kraus, K.A.

    1959-10-27

    A process is presented for separating polonium, protactinium, or mixtures thereof in aqueous solution from bismuth, zirconium, lead, and niobium values contained in the solution. The method comprises providing hydrochloric acid in the solution in a concentration of at least 5N. contacting the aqueous solution with a substantially waterimmiscible organic solvent such as diisopropyl ketone, and separating the aqueous phase containing the bismuth, zirconium, lead, and niobium from the organic extract phase containing the polonium, protactinium, or mixture thereof.

  12. Environmental quality standards for mixtures: a case study with a herbicide mixture tested in outdoor mesocosms.

    PubMed

    Knauer, Katja; Hommen, Udo

    2013-03-01

    Traces of pesticides are frequently detected in surface waters. As a consequence, specific environmental quality criteria (EQS) for a set of single pesticides in surface waters were defined by the environmental authorities in several countries. In this context, the aim of this study was to investigate if the sum of the five percentile hazard concentration (?HC(5-95 percent), meaning that 5 percent of the aquatic assemblage remains affected considering a 95 percent confidence interval) of three herbicides with the same mode of action derived from a species sensitivity distribution based on acute toxicity data (EC(50) values) of the most sensitive taxonomic group is a suitable EQS for surface water addressing the occurrence of herbicide mixtures as common exposure scenario. Therefore, an outdoor mesocosm study was performed with three replicates per treatment for a period of 173 days. Results demonstrated that a constant long-term exposure over 35 days to the HC(5-95 percent) of a mixture of three PSII inhibitors did not lead to adverse effects on the aquatic community in this field mesocosm study. Neither adverse effects on very sensitive functional endpoints such as photosynthesis measurements of algae and macrophytes nor adverse effects on structural endpoints such as abundance data and species composition were determined. In contrast and as a positive control, the HC(30) treatment affected statistically significant all investigated endpoints and it was demonstrated that the PSII inhibitors acted additive on various level of organization (Knauert et al., 2008). This study is filling the gap that no empirical evidence is published indicating that the chronic exposure at the HC(5-95 percent) estimate is leading to no adverse effects for the aquatic community and is therefore a suitable EQS for surface waters in the agriculture landscape. PMID:23273621

  13. Foaming of mixtures of pure hydrocarbons

    NASA Technical Reports Server (NTRS)

    Robinson, J. V.; Woods, W. W.

    1950-01-01

    Mixtures of pure liquid hydrocarbons are capable of foaming. Nine hydrocarbons were mixed in pairs, in all possible combinations, and four proportions of each combination. These mixtures were sealed in glass tubes, and the foaming was tested by shaking. Mixtures of aliphatic with other aliphatic hydrocarbons, or of alkyl benzenes with other alkyl benzenes, did not foam. Mixtures of aliphatic hydrocarbons with alkyl benzenes did foam. The proportions of the mixtures greatly affected the foaming, the maximum foaming of 12 of 20 pairs being at the composition 20 percent aliphatic hydrocarbon, 80 percent alkyl benzene. Six seconds was the maximum foam lifetime of any of these mixtures. Aeroshell 120 lubricating oil was fractionated into 52 fractions and a residue by extraction with acetone in a fractionating extractor. The index of refraction, foam lifetime, color, and viscosity of these fractions were measured. Low viscosity and high index fractions were extracted first. The viscosity of the fractions extracted rose and the index decreased as fractionation proceeded. Foam lifetimes and color were lowest in the middle fractions. Significance is attached to the observation that none of the foam lifetimes of the fractions or residue is as high as the foam lifetime of the original Aeroshell, indicating that the foaming is not due to a particular foaming constituent, but rather to the entire mixture.

  14. Estrogenic activity of UV filter mixtures.

    PubMed

    Kunz, Petra Y; Fent, Karl

    2006-11-15

    UV-absorbing chemicals (UV filters) are widely used for protection against UV radiation in sunscreens and in a variety of cosmetic products and materials. Depending on the breadth and factor of UV protection, they are added as single compounds or as a combination thereof. Some UV filters have estrogenic activity, but their activity and interactions in mixtures are largely unknown. In this work, we analyzed 8 commonly used UV filters, which are pure or partial hERalpha agonists, for their estrogenic activity in equieffective mixtures in a recombinant yeast assay carrying the human estrogen receptor alpha (hERalpha). Mixtures of two, four and eight UV filters alone, or in combination with 17 beta estradiol (E2), were assessed at different effect levels and no-observed-effect-concentrations (NOEC). Predictions of the joint effects of these mixtures were calculated by employing the concentration addition (CA) and independent action (IA) model. Most binary mixtures comprising of pure hERalpha agonists showed a synergistic activity at all mixture combinations. Only in combination with benzophenone-1, antagonistic activity was observed at some effect levels. All mixtures of four or eight, pure or pure and partial hERalpha agonists, alone or including E2, showed synergistic activity at concentrations giving an increase of 10% of basal activity (BC10). This occurred even at concentrations that were at the NOEC level of each single compound. Hence, there were substantial mixture effects even though each UV filter was present at its NOEC level. These results show that significant interactions occur in UV filter mixtures, which is important for the hazard and risk assessments of these personal care products. PMID:17027055

  15. Estrogenic activity of UV filter mixtures

    SciTech Connect

    Kunz, Petra Y. . E-mail: petra.kunz@fhnw.ch; Fent, Karl . E-mail: karl.fent@bluewin.ch

    2006-11-15

    UV-absorbing chemicals (UV filters) are widely used for protection against UV radiation in sunscreens and in a variety of cosmetic products and materials. Depending on the breadth and factor of UV protection, they are added as single compounds or as a combination thereof. Some UV filters have estrogenic activity, but their activity and interactions in mixtures are largely unknown. In this work, we analyzed 8 commonly used UV filters, which are pure or partial hER{alpha} agonists, for their estrogenic activity in equieffective mixtures in a recombinant yeast assay carrying the human estrogen receptor alpha (hER{alpha}). Mixtures of two, four and eight UV filters alone, or in combination with 17 {beta} estradiol (E2), were assessed at different effect levels and no-observed-effect-concentrations (NOEC). Predictions of the joint effects of these mixtures were calculated by employing the concentration addition (Canada) and independent action (IA) model. Most binary mixtures comprising of pure hER{alpha} agonists showed a synergistic activity at all mixture combinations. Only in combination with benzophenone-1, antagonistic activity was observed at some effect levels. All mixtures of four or eight, pure or pure and partial hER{alpha} agonists, alone or including E2, showed synergistic activity at concentrations giving an increase of 10% of basal activity (BC10). This occurred even at concentrations that were at the NOEC level of each single compound. Hence, there were substantial mixture effects even though each UV filter was present at its NOEC level. These results show that significant interactions occur in UV filter mixtures, which is important for the hazard and risk assessments of these personal care products.

  16. Uptake and toxicity of Cd, Cu and Pb mixtures in the isopod Asellus aquaticus from waterborne exposure.

    PubMed

    Van Ginneken, M; De Jonge, M; Bervoets, L; Blust, R

    2015-12-15

    The present study evaluated interactions of waterborne Cd, Cu and Pb mixtures on metal uptake rates in the isopod Asellus aquaticus and related this to mixture effects on toxicity. Secondly, it was assessed whether observed mixture effects were better related to isopod body concentrations compared to exposure concentrations. Isopods were exposed for 10 days to single, binary and tertiary mixtures including five different concentrations of Cd (0.107 to 277 μg L(-1)), Cu (3.35 to 2117 μg L(-1)) and Pb (0.782 to 443 μg L(-1)). Mortality was assessed every day while isopod body concentrations, growth (biomass) and energy reserves (glycogen, lipid and protein reserves) were assessed at the end of the experiment. Synergistic interactions of combined Cd and Pb exposure on Cd and Pb uptake as well as on growth rates and mortality rates were observed. Mixture effects of combined Cd and Pb exposure on toxicity endpoints were directly related to increased Cd uptake in the Cd+Pb treatment. No mixture interactions of Cu on Cd or Pb uptake (and vice versa), nor on toxicity endpoints were observed. All toxicity endpoints were related to body concentrations. However, mixture effects disappeared when growth and mortality rates were expressed on body concentrations instead of exposure concentrations. By combining information of mixture effects on metal uptake with mixture toxicity data, the present study provides more insight in the way metal mixtures interfere with aquatic organisms and how they can induce toxic effects. PMID:26282750

  17. Hormesis in mixtures -- can it be predicted?

    PubMed

    Belz, Regina G; Cedergreen, Nina; Sørensen, Helle

    2008-10-01

    Binary mixture studies are well established for mixtures of pollutants, pesticides, or allelochemicals and sound statistical methods are available to evaluate the results in relation to reference models. The majority of mixture studies are conducted to investigate the effect of one compound on the inhibitory action of another. However, since stimulatory responses to low concentrations of chemicals are gaining increased attention and improved statistical models are available to describe this phenomenon of hormesis, scientists are challenged by the question of what will happen in the low concentration range when all or some of the chemicals in a mixture induce hormesis? Can the mixture effects still be predicted and can the size and concentration range of hormesis be predicted? The present study focused on binary mixtures with one or both compounds inducing hormesis and evaluated six data sets of root length of Lactuca sativa L. and areal growth of Lemna minor L., where substantial and reproducible hormetic responses to allelochemicals and herbicides have been found. Results showed that the concentration giving maximal growth stimulatory effects (M) and the concentration where the hormetic effect had vanished (LDS) could be predicted by the most-used reference model of concentration addition (CA), if the growth inhibitory concentrations (EC50) followed CA. In cases of deviations from CA at EC50, the maximum concentration M and the LDS concentration followed the same deviation patterns, which were described by curved isobole models. Thus, low concentration mixture effects as well as the concentration range of hormesis can be predicted applying available statistical models, if both mixture partners induce hormesis. Using monotonic concentration-response models instead of biphasic concentration-response models for the prediction of joint effects, thus ignoring hormesis, slightly overestimated the deviation from CA at EC20 and EC50, but did not alter the general conclusion of the mixture study in terms of deviation from the reference model. Mixture effects on the maximum stimulatory response were tested against the hypothesis of a linear change with mixture ratio by constructing 95% prediction intervals based on the single concentration-response curves. Four out of the six data sets evaluated followed the model of linear interpolation reasonably well, which suggested that the size of the hormetic growth stimulation can be roughly predicted in mixtures from knowledge of the concentration-response relationships of the individual chemicals. PMID:18640701

  18. APPARATUS FOR HANDLING MIXTURES OF SOLID MATERIALS

    DOEpatents

    Hubbell, J.P.

    1959-08-25

    An apparatus is described for handling either a mixture of finely subdivided materials or a single material requiring a compacting action thereon preparatory to a chemical reducing process carried out in a crucible container. The apparatus is designed to deposit a mixture of dust-forming solid materials in a container while confining the materials against escape into the surrounding atmosphere. A movable filling tube, having a compacting member, is connected to the container and to a covered hopper receiving the mixture of materials. The filling tube is capable of reciprocating in the container and their relative positions are dependent upon the pressure established upon the material by the compacting member.

  19. Viscosity of multicomponent partially ionized gas mixtures

    NASA Technical Reports Server (NTRS)

    Armaly, B. F.; Sutton, K.

    1980-01-01

    An approximate method is proposed for predicting the viscosity of partially ionized gas mixtures. This technique expresses the viscosity of a mixture in terms of the viscosities of the individual pure components, is simple in form, and does not require large computer run times or storage. Thus, the technique is suitable for use with complex flowfields and heat-transfer calculations. Results for gas mixtures which are representative of the atmospheres of Jupiter, Earth, and Venus, are presented and it is shown that the results compare favorably with detailed kinetic-theory analyses.

  20. Formation of strong airway irritants in terpene/ozone mixtures.

    PubMed

    Wolkoff, P; Clausen, P A; Wilkins, C K; Nielsen, G D

    2000-06-01

    The American Society for Testing and Materials (ASTM) mouse bioassay, which quantifies airway irritation from reduction in the respiratory rate, was used to find evidence for the formation of highly irritating substances in reactions of ozone with terpenes (common indoor volatile organic compounds (VOCs)). No-observed-effect-levels (NOELs) and concentration-effect relationships were established for ozone, (+)-alpha-pinene and R-(+)-limonene, isoprene, and some of their major reaction products. Reaction mixtures of excess terpene and ozone considerably below their NOEL concentrations resulted in significant upper airway irritation. The reduction of the respiratory rate was from 30% to about 50%, lowest for the alpha-pinene and highest for the isoprene mixture. Chemical analysis of reaction mixtures by conventional methods showed that readily identified stable products and residual reactants at the concentrations found could not account for the observed reductions of the respiratory rate, assuming additivity of the reaction products. The results suggest that, in addition to known irritants (formaldehyde, acrolein, methacrolein, methyl vinylketone), one or more strong airway irritant(s) of unknown structure(s) were formed. Future indoor air quality (IAQ) guidelines for unsaturated VOCs (e.g., terpenes) and their emission from building products may require the consideration of reactions with oxidants, like ozone. Similarly, effects of ozone-emitting equipment should be re-evaluated. PMID:11980106

  1. Genotoxicity of complex mixtures: CHO cell mutagenicity assay

    SciTech Connect

    Frazier, M.E.; Samuel, J.E.

    1985-02-01

    A Chinese hamster ovary (CHO) mammalian cell assay was used to evaluate the genotoxicity of complex mixtures (synthetic fuels). The genotoxicity (mutagenic potency) of the mixtures increased as the temperature of their boiling range increased. Most of the genotoxicity in the 750/sup 0/F+ boiling-range materials was associated with the neutral polycyclic aromatic hydrocarbon (PAH) fractions. Chemical analysis data indicate that the PAH fractions of high-boiling coal liquids contain a number of known chemical carcinogens, including five- and six-ring polyaromatics (e.g., benzo(a)pyrene) as well as four- and five-ring alkyl-substituted PAH (e.g., methylchrysene and dimethylbenzanthracenes); concentrations are a function of boiling point (bp). In vitro genotoxicity was also detected in fractions of nitrogen-containing polyaromatic compounds, as well as in those with aliphatics of hydroxy-containing PAH. Mutagenic activity of some fractions was detectable in the CHO assay in the absence of an exogenous metabolic activation system; in some instances, addition of exogenous enzymes and cofactors inhibited expression of the direct-acting mutagenic potential of the fraction. These data indicate that the organic matrix of the chemical fraction determines whether, and to what degree, various mutagens are expressed in the CHO assay. Therefore, the results of biological assays of these mixtures must be correlated with chemical analyses for proper interpretation of these data. 29 references, 16 figures, 4 tables.

  2. Toxicity of phenanthrene and lindane mixtures to marine invertebrates.

    PubMed

    Evans, A D; Nipper, M

    2007-10-01

    Surface waters near industrialized and agricultural areas are contaminated with hundreds of different pollutants from a variety of sources. Methods for measurement of sediment, surface water, and porewater toxicity in marine environments include the sea urchin (Arbacia punctulata) fertilization and embryological development tests and copepod (Schizopera knabeni) survival and hatching success assessment. The concentration addition model was applied to determine whether toxicity of two compounds, phenanthrene (polycyclic aromatic hydrocarbon) and lindane (organochlorine pesticide), when combined can be accurately assessed because of similar modes of action. Mixture analysis determined the sea urchin fertilization test to exhibit additivity (TU(mix) = 1.13), while the copepod test exhibited a synergistic effect (TU(mix) = 0.22). Mixture toxicity data for the sea urchin embryological test were not conclusive because of the lack of toxicity of the individual chemicals. The synergistic effect to copepods is a concern as it indicates that greater toxic effects may occur when the compounds are present in mixtures. Results from this research suggest that increased toxicity to some categories of organisms should be expected near agricultural and industrial areas where pesticides and other types of compounds may occur simultaneously. PMID:17696137

  3. Biodegradability of chlorophenols and mixtures of chlorophenols in seawater

    SciTech Connect

    Lindgaard-Jorgensen, P.

    1989-04-01

    Laboratory studies using chemical concentrations comparable to those found in nature have provided considerable knowledge of microbial transformations in nature. Although the number of studies performed is increasing rapidly, the effects of low substrate levels on growth, enzyme induction, enzyme activity, and the use of mixtures of substrates have not yet been clarified. Likewise, studies at low concentrations in seawater are lacking. This paper describes a study of the rates of degradation of chlorophenols 4-chlor-2-methylphenol, 2,4-dichlorophenol (2,4-DCP), and 2,4,6-trichlorophenol at concentrations ranging from 2 to 18 micrograms/liter. The compounds were tested separately, in a mixture, and in waste water containing other organics. The obtained rates of 2,4-DCP in seawater were comparable to those found in fresh water. Also, the rates were in general agreement with a kinetic model proposed for degradation of chlorophenols. The rates of degradation of chlorophenols in the mixture were comparable to those found when tested separately. In the waste, very low rates were observed. It is suggested that this might be explained by a toxic effect, caused by other substances in the waste water, on the microorganisms considered to be active in degrading the chlorophenols at low concentrations.

  4. Method of photocatalytic conversion of C-H organics

    DOEpatents

    Camaioni, Donald M.; Lilga, Michael A.

    1998-01-01

    The present invention is the addition of a semiconductor material and energy to the reaction mixture of organic, acid (for example, trifluoroacetate), and oxygen. A transition metal ion may be added to the reaction mixture. The semiconductor material converts energy to oxidants thereby promoting oxidation of the organic. Alternatively, using metal in combination with exposure to light may be used.

  5. Method of photocatalytic conversion of C-H organics

    DOEpatents

    Camaioni, D.M.; Lilga, M.A.

    1998-01-13

    The present invention is the addition of a semiconductor material and energy to the reaction mixture of organic, acid (for example, trifluoroacetate), and oxygen. A transition metal ion may be added to the reaction mixture. The semiconductor material converts energy to oxidants thereby promoting oxidation of the organic. Alternatively, using metal in combination with exposure to light may be used.

  6. Effects of active pharmaceutical ingredients mixtures in mussel Mytilus galloprovincialis.

    PubMed

    Gonzalez-Rey, M; Mattos, J J; Piazza, C E; Bainy, A C D; Bebianno, M J

    2014-08-01

    Active pharmaceutical ingredients (APIs) are emergent environmental contaminants widely detected in surface waters as result of incomplete waste water treatment plant (WWTP) removal processes and improper disposal. The assessment of potential effects of APIs on non-target organisms is still scarce since besides presenting multiple chemical structures, properties and modes of action, these compounds occur as complex mixtures. This study comprises a 15-day exposure of mussels Mytilus galloprovincialis to mixtures (at environmentally relevant nominal concentrations) of non-steroidal inflammatory drugs ibuprofen (IBU) and diclofenac (DCF) (250 ng L(-1) each) and selective serotonin reuptake inhibitor (SSRI) fluoxetine (FLX) (75 ng L(-1)) (MIX 1) along with the addition of classical pro-oxidant copper (Cu) (5 μg L(-1)) (MIX 2). The goals included the assessment of oxidative stress, neurotoxic and endocrine effects on this sentinel species applying both a multibiomarker and gene expression (here and later gene expression is taken as synonym to gene transcription, although it is acknowledged that it is also affected by, e.g. translation, and mRNA and protein stability) analysis approaches. The results revealed a swifter antioxidant response in digestive glands than in gills induced by MIX 1, nevertheless the presence of Cu in MIX 2 promoted a higher lipid peroxidation (LPO) induction. Neither mixture altered acetylcholinesterase (AChE) activity, while both triggered the formation of vitellogenin-like proteins in females confirming the xenoestrogenic effect of mixtures. All these results varied with respect to those obtained in previous single exposure essays. Moreover, RT-PCR analysis revealed a catalase (CAT) and CYP4Y1 gene expression down- and upregulation, respectively, with no significant changes in mRNA levels of genes encoding superoxide dismutase (SOD) and glutathione-S-transferase (GST). Finally, this study highlights variable tissue and time-specific biomarker responses and gene expression alterations, which along with several interactions between each mixture component on each biomarker confirm the susceptibility of mussels to API mixtures. PMID:24630142

  7. Estrogenic activity of pharmaceuticals and pharmaceutical mixtures in a yeast reporter gene system.

    PubMed

    Fent, Karl; Escher, Claudia; Caminada, Daniel

    2006-08-01

    Pharmaceuticals enter aquatic environments in unchanged form or as metabolites. Little is known about their potential hormonal activity, which is of particular interest due to potential long-term effects on fertility and reproduction in aquatic organisms. Moreover, there is a need to assess the combined activity of pharmaceutical mixtures. In this study, 37 pharmaceuticals have been analysed in vitro for estrogenic activity using a recombinant yeast system expressing the human estrogen receptor alpha. Six pharmaceuticals belonging to different therapeutic classes, cimetidine, fenofibrate, furosemide, paracetamol, phenazone and tamoxifen, exhibited weak estrogenic activity. Furosemide showed an almost full concentration-response curve, whereas the other compounds showed low efficacy. The half-maximal activities of the pharmaceuticals were in the range of 0.66-25.53 mM. Furthermore, binary mixtures of furosemide and 17beta-estradiol (E2), and furosemide and phenazone, and mixtures of up to five active pharmaceuticals were assessed for their combinatory activity at different equipotent concentrations. The estrogenic activity of binary mixtures of furosemide with E2 and phenazone, respectively, followed the model of concentration addition (CA). Mixtures of other pharmaceuticals often deviated from the CA model, because extrapolations become inaccurate with only partial and non-parallel concentration-response curves having low efficacy. This demonstrates that full and parallel concentration-response curves are a prerequisite for accurate predictions of mixture activity. Our study demonstrates for the first time weak estrogenic activity in vitro of some common pharmaceuticals and their mixtures. PMID:16781844

  8. Brain processing of a configural vs elemental odor mixture in the newborn rabbit.

    PubMed

    Schneider, Nanette Y; Datiche, Frédérique; Wilson, Donald A; Gigot, Vincent; Thomas-Danguin, Thierry; Ferreira, Guillaume; Coureaud, Gérard

    2016-06-01

    Organisms are surrounded throughout life by chemically complex odors. How individuals process an odorant within a mixture or a mixture as a whole is a key question in neuroethology and chemical senses. This question is addressed here by using newborn rabbits, which can be rapidly conditioned to a new stimulus by single association with the mammary pheromone. After conditioning to ethyl maltol (odorant B), pups behaviorally respond to B and an A'B' mixture (68/32 ratio) but not to ethyl isobutyrate (odorant A) or an AB mixture (30/70 ratio). This suggests elemental and configural perception of A'B' and AB, respectively. We then explored the neural substrates underlying the processing of these mixtures with the hypothesis that processing varies according to perception. Pups were pseudoconditioned or conditioned to B on postnatal day 3 before exposure to B, A'B' or AB on day 4. Fos expression was not similar between groups (mainly in the olfactory bulb and posterior piriform cortex) suggesting a differential processing of the stimuli that might reflect either stimulus complexity or conditioning effect. Thus, the ratio of components in A'B' vs AB leads to differential activation of the olfactory system which may contribute to elemental and configural percepts of these mixtures. In addition, together with recent behavioral data, this highlights that configural perception occurs even in relatively immature animals, emphasizing the value of the newborn rabbit for exploration of odor mixture processing from molecules to brain and behavior. PMID:25982221

  9. Assessing exposures to inhaled complex mixtures.

    PubMed Central

    Leaderer, B P; Lioy, P J; Spengler, J D

    1993-01-01

    In the course of daily activities, individuals spend varying amounts of time in different spaces where they are exposed to a complex mixture of gas, vapor, and particulate contaminants. The term complex is used in this paper to refer to binary mixtures as well as truly complex mixtures of three or more constituents. The diversity of the environments where pollution may occur, the number of pollutants that may be present, and the nature of the activity in the environment combine to pose a challenge to investigators of the health effects of air pollutants. This article discusses several methods of measuring or assessing exposure to complex mixture air contaminants that include time-activity assessments, personal monitoring, biomarkers of exposure, and microenvironmental models that can be employed singly or in combination in a protocol for exposure assessment. The use of nested designs, involving more intensive data collection from samples or subjects, is also considered. PMID:8206025

  10. Transcriptional responses to complex mixtures - A review

    EPA Science Inventory

    Exposure of people to hazardous compounds is primarily through complex environmental mixtures, those that occur through media such as air, soil, water, food, cigarette smoke, and combustion emissions. Microarray technology offers the ability to query the entire genome after expos...

  11. Uncertainty in Mixtures and Cumulative Risk Assessment

    EPA Science Inventory

    Uncertainty in Mixtures and Cumulative Risk Assessment JC Lipscomb and GE Rice U.S. Environmental Protection Agency, Office of Research and Development, National Center for Environmental Assessment, Cincinnati, Ohio, USA Humans and environmental species are rarely exposed to sing...

  12. Isolation of alkaline mutagens from complex mixtures

    SciTech Connect

    Ho, C.H.; Guerin, M.R.; Clark, B.R.; Rao, T.K.; Epler, J.L.

    1981-05-01

    A method for the preparative-scale enrichment of alkaline mutagens from complex natural and anthropogenic mixtures is described. Mutagenic alkaline fractions were isolated from cigarette smoke, crude petroleum, and petroleum substitutes derived from coal and shale.

  13. Mapping the jamming transition of bidisperse mixtures

    NASA Astrophysics Data System (ADS)

    Koeze, D. J.; Vågberg, D.; Tjoa, B. B. T.; Tighe, B. P.

    2016-03-01

    We systematically map out the jamming transition of all 2D bidisperse mixtures of frictionless disks in the hard-particle limit. The critical volume fraction, mean coordination number, number of rattlers, structural order parameters, and bulk modulus each show a rich variation with mixture composition and particle size ratio, and can therefore be tuned by choosing certain mixtures. We identify two local minima in the critical volume fraction, both of which have low structural order; one minimum is close to the widely studied 50 : 50 mixture of particles with a ratio of radii of 1 : 1.4. We also identify a region at low size ratios characterized by increased structural order and high rattler fractions, with a corresponding enhancement in the stiffness.

  14. Terahertz spectroscopy for quantifying refined oil mixtures.

    PubMed

    Li, Yi-nan; Li, Jian; Zeng, Zhou-mo; Li, Jie; Tian, Zhen; Wang, Wei-kui

    2012-08-20

    In this paper, the absorption coefficient spectra of samples prepared as mixtures of gasoline and diesel in different proportions are obtained by terahertz time-domain spectroscopy. To quantify the components of refined oil mixtures, a method is proposed to evaluate the best frequency band for regression analysis. With the data in this frequency band, dualistic linear regression fitting is used to determine the volume fraction of gasoline and diesel in the mixture based on the Beer-Lambert law. The minimum of regression fitting R-Square is 0.99967, and the mean error of fitted volume fraction of 97# gasoline is 4.3%. Results show that refined oil mixtures can be quantitatively analyzed through absorption coefficient spectra in terahertz frequency, which it has bright application prospects in the storage and transportation field for refined oil. PMID:22907017

  15. A simple approach to polymer mixture miscibility

    PubMed Central

    Higgins, Julia S.; Lipson, Jane E. G.; White, Ronald P.

    2010-01-01

    Polymeric mixtures are important materials, but the control and understanding of mixing behaviour poses problems. The original Flory–Huggins theoretical approach, using a lattice model to compute the statistical thermodynamics, provides the basic understanding of the thermodynamic processes involved but is deficient in describing most real systems, and has little or no predictive capability. We have developed an approach using a lattice integral equation theory, and in this paper we demonstrate that this not only describes well the literature data on polymer mixtures but allows new insights into the behaviour of polymers and their mixtures. The characteristic parameters obtained by fitting the data have been successfully shown to be transferable from one dataset to another, to be able to correctly predict behaviour outside the experimental range of the original data and to allow meaningful comparisons to be made between different polymer mixtures. PMID:20123745

  16. Predicting skin permeability from complex chemical mixtures

    SciTech Connect

    Riviere, Jim E. . E-mail: Jim_Riviere@ncsu.edu; Brooks, James D.

    2005-10-15

    Occupational and environmental exposure to topical chemicals is usually in the form of complex chemical mixtures, yet risk assessment is based on experimentally derived data from individual chemical exposures from a single, usually aqueous vehicle, or from computed physiochemical properties. We present an approach using hybrid quantitative structure permeation relationships (QSPeR) models where absorption through porcine skin flow-through diffusion cells is well predicted using a QSPeR model describing the individual penetrants, coupled with a mixture factor (MF) that accounts for physicochemical properties of the vehicle/mixture components. The baseline equation is log k {sub p} = c + mMF + a{sigma}{alpha} {sub 2} {sup H} + b{sigma}{beta} {sub 2} {sup H} + s{pi} {sub 2} {sup H} + rR {sub 2} + vV {sub x} where {sigma}{alpha} {sub 2} {sup H} is the hydrogen-bond donor acidity, {sigma}{beta} {sub 2} {sup H} is the hydrogen-bond acceptor basicity, {pi} {sub 2} {sup H} is the dipolarity/polarizability, R {sub 2} represents the excess molar refractivity, and V {sub x} is the McGowan volume of the penetrants of interest; c, m, a, b, s, r, and v are strength coefficients coupling these descriptors to skin permeability (k {sub p}) of 12 penetrants (atrazine, chlorpyrifos, ethylparathion, fenthion, methylparathion, nonylphenol, {rho}-nitrophenol, pentachlorophenol, phenol, propazine, simazine, and triazine) in 24 mixtures. Mixtures consisted of full factorial combinations of vehicles (water, ethanol, propylene glycol) and additives (sodium lauryl sulfate, methyl nicotinate). An additional set of 4 penetrants (DEET, SDS, permethrin, ricinoleic acid) in different mixtures were included to assess applicability of this approach. This resulted in a dataset of 16 compounds administered in 344 treatment combinations. Across all exposures with no MF, R{sup 2} for absorption was 0.62. With the MF, correlations increased up to 0.78. Parameters correlated to the MF include refractive index, polarizability and log (1/Henry's Law Constant) of the mixture components. These factors should not be considered final as the focus of these studies was solely to determine if knowledge of the physical properties of a mixture would improve predicting skin permeability. Inclusion of multiple mixture factors should further improve predictability. The importance of these findings is that there is an approach whereby the effects of a mixture on dermal absorption of a penetrant of interest can be quantitated in a standard QSPeR model if physicochemical properties of the mixture are also incorporated.

  17. Diffusion method of seperating gaseous mixtures

    DOEpatents

    Pontius, Rex B.

    1976-01-01

    A method of effecting a relatively large change in the relative concentrations of the components of a gaseous mixture by diffusion which comprises separating the mixture into heavier and lighter portions according to major fraction mass recycle procedure, further separating the heavier portions into still heavier subportions according to a major fraction mass recycle procedure, and further separating the lighter portions into still lighter subportions according to a major fraction equilibrium recycle procedure.

  18. Flash evaporation of liquid monomer particle mixture

    DOEpatents

    Affinito, J.D.; Darab, J.G.; Gross, M.E.

    1999-05-11

    The present invention is a method of making a first solid composite polymer layer. The method has the steps of (a) mixing a liquid monomer with particles substantially insoluble in the liquid monomer forming a monomer particle mixture; (b) flash evaporating the particle mixture and forming a composite vapor; and (c) continuously cryocondensing said composite vapor on a cool substrate and cross-linking the cryocondensed film thereby forming the polymer layer. 3 figs.

  19. Flash evaporation of liquid monomer particle mixture

    DOEpatents

    Affinito, John D.; Darab, John G.; Gross, Mark E.

    1999-01-01

    The present invention is a method of making a first solid composite polymer layer. The method has the steps of (a) mixing a liquid monomer with particles substantially insoluble in the liquid monomer forming a monomer particle mixture; (b) flash evaporating the particle mixture and forming a composite vapor; and (c) continuously cryocondensing said composite vapor on a cool substrate and cross-linking the cryocondensed film thereby forming the polymer layer.

  20. Primordial soup was edible: abiotically produced Miller-Urey mixture supports bacterial growth

    PubMed Central

    Xie, Xueshu; Backman, Daniel; Lebedev, Albert T.; Artaev, Viatcheslav B.; Jiang, Liying; Ilag, Leopold L.; Zubarev, Roman A.

    2015-01-01

    Sixty years after the seminal Miller-Urey experiment that abiotically produced a mixture of racemized amino acids, we provide a definite proof that this primordial soup, when properly cooked, was edible for primitive organisms. Direct admixture of even small amounts of Miller-Urey mixture strongly inhibits E. coli bacteria growth due to the toxicity of abundant components, such as cyanides. However, these toxic compounds are both volatile and extremely reactive, while bacteria are highly capable of adaptation. Consequently, after bacterial adaptation to a mixture of the two most abundant abiotic amino acids, glycine and racemized alanine, dried and reconstituted MU soup was found to support bacterial growth and even accelerate it compared to a simple mixture of the two amino acids. Therefore, primordial Miller-Urey soup was perfectly suitable as a growth media for early life forms. PMID:26412575

  1. Estimation of toxicity of chemical mixtures through modeling of chemical interactions.

    PubMed Central

    Mumtaz, M M; De Rosa, C T; Groten, J; Feron, V J; Hansen, H; Durkin, P R

    1998-01-01

    The Agency for Toxic Substances and Disease Registry (ATSDR), in collaboration with the Dutch Organization for Applied Scientific Research (TNO) Nutrition and Food Research Institute, is conducting studies to evaluate the role of chemical interactions in the expression of toxicity from low-level exposure to combinations of chemicals. The goal of this collaborative effort is to use a weight-of-evidence (WOE) approach to estimate joint toxicity of some simple chemical mixtures and to compare the estimations with test results from animal toxicity studies. The WOE approach uses individual chemical dose-response assessments and algorithms that incorporate various assumptions regarding potential chemical interactions. Qualitative evaluations were prepared for binary combinations of chemicals for the effect of butyl hydroxyanisole on di(2-ethylhexyl)phthalate, the effect of stannous chloride on Cd chloride (CdCl2), and the effect of CdCl2 on loperamide. Analyses of these evaluations and their comparison with the conclusions of laboratory animal experiments indicate that the WOE approach can be used to estimate qualitatively the joint toxicity of such simple mixtures. To further test the utility of the WOE approach, qualitative and semiquantitative evaluations were prepared for two chemical mixtures--one with similarly acting halogenated aliphatics (trichloroethylene, tetrachloroethylene, hexachloro-1,3-butadiene[HCBD], and 1,1,2-trichloro-3,3,3-trifluoropropene [TCTFP]) and the other with dissimilarly acting nephrotoxic components (mercuric chloride, lysinolalanine, D-limonene, and HCBD). These two sets of data were used to estimate the overall toxicities of the mixtures using the WOE algorithm for the mixture. The comparison of the results of the estimated toxicity with experimentally determined toxicity of the mixture of similarly acting nephrotoxicants demonstrated that the WOE approach correctly adjusted for the observed interactions in experimental animal studies. However, this was not true for the mixture of dissimilarly acting nephrotoxicants. This could be attributed to the fact that WOE evaluations are based on dose additivity that postulates that all chemicals in a given mixture act in the same way--by the same mechanism--and differ only in their potencies. In these cases the WOE approach evaluations, based on consideration of common mechanisms for simple chemical mixtures, can lead to better estimates of joint toxicity of chemical mixtures than the default assumption of dose additivity. The results also show that the WOE evaluations should be target-organ specific because none of the models tested could approximate the observed responses in organs other than the target organs in the laboratory animal studies. PMID:9860892

  2. Phase equilibria for complex fluid mixtures

    SciTech Connect

    Prausnitz, J.M.

    1983-04-01

    After defining complex mixtures, attention is given to the canonical procedure used for the thermodynamics of fluid mixtures: first, we establish a suitable, idealized reference system and then we establish a perturbation (or excess function) which corrects the idealized system for real behavior. For complex mixtures containing identified components (e.g. alcohols, ketones, water) discussion is directed at possible techniques for extending to complex mixtures our conventional experience with reference systems and perturbations for simple mixtures. Possible extensions include generalization of the quasi-chemical approximation (local compositions) and superposition of chemical equilibria (association and solvation) on a physical equation of state. For complex mixtures containing unidentified components (e.g. coal-derived fluids), a possible experimental method is suggested for characterization; conventional procedures can then be used to calculate phase equilibria using the concept of pseudocomponents whose properties are given by the characterization data. Finally, as an alternative to the pseudocomponent method, a brief introduction is given to phase-equilibrium calculations using continuous thermodynamics.

  3. Relationship inference based on DNA mixtures.

    PubMed

    Kaur, Navreet; Bouzga, Mariam M; Dørum, Guro; Egeland, Thore

    2016-03-01

    Today, there exists a number of tools for solving kinship cases. But what happens when information comes from a mixture? DNA mixtures are in general rarely seen in kinship cases, but in a case presented to the Norwegian Institute of Public Health, sample DNA was obtained after a rape case that resulted in an unwanted pregnancy and abortion. The only available DNA from the fetus came in form of a mixture with the mother, and it was of interest to find the father of the fetus. The mother (the victim), however, refused to give her reference data and so commonly used methods for paternity testing were no longer applicable. As this case illustrates, kinship cases involving mixtures and missing reference profiles do occur and make the use of existing methods rather inconvenient. We here present statistical methods that may handle general relationship inference based on DNA mixtures. The basic idea is that likelihood calculations for mixtures can be decomposed into a series of kinship problems. This formulation of the problem facilitates the use of kinship software. We present the freely available R package relMix which extends on the R version of Familias. Complicating factors like mutations, silent alleles, and θ-correction are then easily handled for quite general family relationships, and are included in the statistical methods we develop in this paper. The methods and their implementations are exemplified on the data from the rape case. PMID:26541994

  4. Novel anisole mixture and gasoline containing the same

    DOEpatents

    Singerman, Gary M.

    1982-01-26

    A novel anisole mixture containing anisole and a mixture of alkyl anisoles and liquid hydrocarbon fuels containing said novel anisole mixture in an amount sufficient to increase the octane number of said liquid fuel composition.

  5. Sludge organics bioavailability

    SciTech Connect

    Eiceman, G.E.; Bellin, C.A.; Ryan, J.A.; O'Connor, G.A.

    1991-01-01

    Concern over the bioavailability of toxic organics that can occur in municipal sludges threatens routine land application of sludge. Available data, however, show that concentrations of priority organics in normal sludges are low. Sludges applied at agronomic rates yield chemical concentrations in soil-sludge mixtures 50 to 100 fold lower. Plant uptake at these pollutant concentrations (and at much higher concentrations) is minimal. Chemicals are either (1) accumulated at extremely low levels (PCBs), (2) possibly accumulated, but then rapidly metabolized within plants to extremely low levels (DEHP), or (3) likely degraded so rapidly in soil that only minor contamination occurs (PCP and 2,4-DNP).

  6. Prebiotic Hydrocarbon Synthesis in Impacting Reduced Astrophysical Icy Mixtures

    NASA Astrophysics Data System (ADS)

    Koziol, Lucas; Goldman, Nir

    2015-04-01

    We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extended structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Our results help provide a bottom-up understanding of hydrocarbon impact synthesis on the early Earth and its role in producing life-building molecules from simple starting materials.

  7. Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

    NASA Astrophysics Data System (ADS)

    Goldman, Nir; Koziol, Lucas

    2015-06-01

    We present results of prebiotic organic synthesis in shock compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium time-scales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impact on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon and nitrogen bonded extended structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Our results help provide a bottom-up understanding for hydrocarbon impact synthesis on early Earth and its role in producing life building molecules from simple starting materials. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  8. Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

    SciTech Connect

    Koziol, Lucas; Goldman, Nir

    2015-04-21

    We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extended structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Lastly, our results help provide a bottom-up understanding of hydrocarbon impact synthesis on the early Earth and its role in producing life-building molecules from simple starting materials.

  9. Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

    DOE PAGESBeta

    Koziol, Lucas; Goldman, Nir

    2015-04-21

    We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extendedmore » structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Lastly, our results help provide a bottom-up understanding of hydrocarbon impact synthesis on the early Earth and its role in producing life-building molecules from simple starting materials.« less

  10. Organic synthesis in experimental impact shocks.

    NASA Astrophysics Data System (ADS)

    McKay, C. P.; Borucki, W. J.

    1997-04-01

    Laboratory simulations of shocks created with a high-energy laser demonstrate that the efficacy of organic production depends on the molecular, not just the elemental composition of the shocked gas. In a methane-rich mixture that simulates a low-temperature equilibrium mixture of cometary material, hydrogen cyanide and acetylene were produced with yields of 5×1017molecules per joule. Repeated shocking of the methane-rich mixture produced amine groups, suggesting the possible synthesis of amino acids. No organic molecules were produced in a carbon dioxide-rich mixture, which is ad odds with thermodynamic equilibrium approaches to shock chemistry and has implications for the modelling of shock-produced organic molecules on early Earth.

  11. Organic synthesis in experimental impact shocks

    NASA Technical Reports Server (NTRS)

    McKay, C. P.; Borucki, W. J.

    1997-01-01

    Laboratory simulations of shocks created with a high-energy laser demonstrate that the efficacy of organic production depends on the molecular, not just the elemental composition of the shocked gas. In a methane-rich mixture that simulates a low-temperature equilibrium mixture of cometary material, hydrogen cyanide and acetylene were produced with yields of 5 x 10(17) molecules per joule. Repeated shocking of the methane-rich mixture produced amine groups, suggesting the possible synthesis of amino acids. No organic molecules were produced in a carbon dioxide-rich mixture, which is at odds with thermodynamic equilibrium approaches to shock chemistry and has implications for the modeling of shock-produced organic molecules on early Earth.

  12. PHD TUTORIAL: Heteronuclear quantum gas mixtures

    NASA Astrophysics Data System (ADS)

    Ospelkaus, C.; Ospelkaus, S.

    2008-10-01

    In this PhD tutorial, we present experiments with quantum degenerate mixtures of fermionic and bosonic atoms in three-dimensional optical lattices. This heteronuclear quantum gas mixture offers a wide range of possibilities for quantum simulation, implementation of condensed matter Hamiltonians, quantum chemistry and ultimately dense and quantum degenerate dipolar molecular samples. We show how quantum degenerate mixtures of 40K and 87Rb are created in the experiment. We analyse stages of evaporative cooling and show how a dynamic mean-field collapse occurs during the final stage of the evaporation (Ospelkaus et al 2006 Phys. Rev. Lett. 96 020401) as a result of attractive interactions. The particle numbers observed in our experiment have only been limited by this mean-field collapse, resulting in an excellent starting point for our experiments. We explore magnetic-field-induced Feshbach resonances and demonstrate tuning of interactions (Ospelkaus et al 2006 Phys. Rev. Lett. 97 120403) between 40K and 87Rb by means of heteronuclear Feshbach resonances. We observe both stable attractively and repulsively interacting mixtures. We analyse the mean-field energy of the condensate and find qualitative agreement with a simple model. By making the interaction strong and attractive, we induce a mean-field collapse of the mixture. For strong and repulsive interactions, we observe phase separation of the mixture. When loaded into a 3D optical lattice, a whole zoo of novel quantum phases has been predicted for Fermi-Bose mixtures. We present the first realization of Fermi-Bose mixtures in 3D optical lattices as a novel quantum many-body system (Ospelkaus et al 2006 Phys. Rev. Lett. 96 180403). We study the phase coherence of the bosonic cloud in the 3D optical lattice as a function of the amount of fermionic atoms simultaneously trapped in the lattice. We observe a loss of phase coherence at much lower lattice depth than for a pure bosonic cloud and discuss possible theoretical scenarios including adiabatic processes, mean-field Fermi-Bose-Hubbard scenarios and disorder-enhanced localization scenarios. After considering this many-body limit of mixtures in lattices, we show how fermionic heteronuclear Feshbach molecules can be created in the optical lattice (Ospelkaus et al 2006 Phys. Rev. Lett. 97 120402) as a crucial step towards all ground-state dense dipolar molecular samples. We develop rf association as a novel molecule association technique, measure the binding energy, lifetime and association efficiency of the molecules. We develop a simple theoretical single-channel model of the molecules trapped in the lattice (Deuretzbacher et al 2008 Phys. Rev. A 77 032726) which gives an excellent quantitative agreement with the experimental data.

  13. Mixture Models for Distance Sampling Detection Functions

    PubMed Central

    Miller, David L.; Thomas, Len

    2015-01-01

    We present a new class of models for the detection function in distance sampling surveys of wildlife populations, based on finite mixtures of simple parametric key functions such as the half-normal. The models share many of the features of the widely-used “key function plus series adjustment” (K+A) formulation: they are flexible, produce plausible shapes with a small number of parameters, allow incorporation of covariates in addition to distance and can be fitted using maximum likelihood. One important advantage over the K+A approach is that the mixtures are automatically monotonic non-increasing and non-negative, so constrained optimization is not required to ensure distance sampling assumptions are honoured. We compare the mixture formulation to the K+A approach using simulations to evaluate its applicability in a wide set of challenging situations. We also re-analyze four previously problematic real-world case studies. We find mixtures outperform K+A methods in many cases, particularly spiked line transect data (i.e., where detectability drops rapidly at small distances) and larger sample sizes. We recommend that current standard model selection methods for distance sampling detection functions are extended to include mixture models in the candidate set. PMID:25793744

  14. Synergy and other ineffective mixture risk definitions.

    SciTech Connect

    Hertzberg, R.; MacDonell, M.; Environmental Assessment

    2002-04-08

    A substantial effort has been spent over the past few decades to label toxicologic interaction outcomes as synergistic, antagonistic, or additive. Although useful in influencing the emotions of the public and the press, these labels have contributed fairly little to our understanding of joint toxic action. Part of the difficulty is that their underlying toxicological concepts are only defined for two chemical mixtures, while most environmental and occupational exposures are to mixtures of many more chemicals. Furthermore, the mathematical characterizations of synergism and antagonism are inextricably linked to the prevailing definition of 'no interaction,' instead of some intrinsic toxicological property. For example, the US EPA has selected dose addition as the no-interaction definition for mixture risk assessment, so that synergism would represent toxic effects that exceed those predicted from dose addition. For now, labels such as synergism are useful to regulatory agencies, both for qualitative indications of public health risk as well as numerical decision tools for mixture risk characterization. Efforts to quantify interaction designations for use in risk assessment formulas, however, are highly simplified and carry large uncertainties. Several research directions, such as pharmacokinetic measurements and models, and toxicogenomics, should promote significant improvements by providing multi-component data that will allow biologically based mathematical models of joint toxicity to replace these pairwise interaction labels in mixture risk assessment procedures.

  15. Synergy and other ineffective mixture risk definitions.

    PubMed

    Hertzberg, Richard C; MacDonell, Margaret M

    2002-04-01

    A substantial effort has been spent over the past few decades to label toxicologic interaction outcomes as synergistic, antagonistic, or additive. Although useful in influencing the emotions of the public and the press, these labels have contributed fairly little to our understanding of joint toxic action. Part of the difficulty is that their underlying toxicological concepts are only defined for two chemical mixtures, while most environmental and occupational exposures are to mixtures of many more chemicals. Furthermore, the mathematical characterizations of synergism and antagonism are inextricably linked to the prevailing definition of 'no interaction,' instead of some intrinsic toxicological property. For example, the US EPA has selected dose addition as the no-interaction definition for mixture risk assessment, so that synergism would represent toxic effects that exceed those predicted from dose addition. For now, labels such as synergism are useful to regulatory agencies, both for qualitative indications of public health risk as well as numerical decision tools for mixture risk characterization. Efforts to quantify interaction designations for use in risk assessment formulas, however, are highly simplified and carry large uncertainties. Several research directions, such as pharmacokinetic measurements and models, and toxicogenomics, should promote significant improvements by providing multi-component data that will allow biologically based mathematical models of joint toxicity to replace these pairwise interaction labels in mixture risk assessment procedures. PMID:12013546

  16. Relativistic mixtures of charged and uncharged particles

    SciTech Connect

    Kremer, Gilberto M.

    2014-01-14

    Mixtures of relativistic gases within the framework of Boltzmann equation are analyzed. Three systems are considered. The first one refers to a mixture of uncharged particles by using Grad’s moment method, where the relativistic mixture is characterized by the moments of the distribution functions: particle four-flows, energy-momentum tensors, and third-order moment tensors. In the second Fick’s law for a mixture of relativistic gases of non-disparate rest masses in a Schwarzschild metric are derived from an extension of Marle and McCormack model equations applied to a relativistic truncated Grad’s distribution function, where it is shown the dependence of the diffusion coefficient on the gravitational potential. The third one consists in the derivation of the relativistic laws of Ohm and Fourier for a binary mixtures of electrons with protons and electrons with photons subjected to external electromagnetic fields and in presence of gravitational fields by using the Anderson and Witting model of the Boltzmann equation.

  17. Pattern formation in phase separating binary mixtures.

    PubMed

    Sam, Ebie M; Hayase, Yumino; Auernhammer, Günter K; Vollmer, Doris

    2011-08-01

    We experimentally investigate the interplay of thermodynamics with hydrodynamics during phase separation of (quasi-) binary mixtures. Well defined patterns emerge while slowly crossing the cloud point curve. Depending on the material parameters of the experimental system, two distinct scenarios are observed. In quasi-binary mixtures of methanol-hexane patterns appear before macroscopic phase separation sets in. In course of time the patterns turn faint while the overall turbidity of the sample increases until the mixtures become completely turbid. We attribute this pattern formation to a latent heat induced instability resembling a Rayleigh-Bénard instability. This is confirmed by calorimetric data and an estimate of its Rayleigh number. Mixtures of C(4)E(1)-water doped with decane phase separate under heating. After passing the cloud point curve these mixtures first become homogenously turbid. While clearing up, pattern formation is observed. We attribute this type of pattern formation to an interfacial tension induced Bénard-Marangoni instability. The occurrence of the two scenarios is supported by the relevant dimensionless numbers. PMID:21701760

  18. Coal-water mixture fuel burner

    DOEpatents

    Brown, T.D.; Reehl, D.P.; Walbert, G.F.

    1985-04-29

    The present invention represents an improvement over the prior art by providing a rotating cup burner arrangement for use with a coal-water mixture fuel which applies a thin, uniform sheet of fuel onto the inner surface of the rotating cup, inhibits the collection of unburned fuel on the inner surface of the cup, reduces the slurry to a collection of fine particles upon discharge from the rotating cup, and further atomizes the fuel as it enters the combustion chamber by subjecting it to the high shear force of a high velocity air flow. Accordingly, it is an object of the present invention to provide for improved combustion of a coal-water mixture fuel. It is another object of the present invention to provide an arrangement for introducing a coal-water mixture fuel into a combustion chamber in a manner which provides improved flame control and stability, more efficient combustion of the hydrocarbon fuel, and continuous, reliable burner operation. Yet another object of the present invention is to provide for the continuous, sustained combustion of a coal-water mixture fuel without the need for a secondary combustion source such as natural gas or a liquid hydrocarbon fuel. Still another object of the present invention is to provide a burner arrangement capable of accommodating a coal-water mixture fuel having a wide range of rheological and combustion characteristics in providing for its efficient combustion. 7 figs.

  19. A constitutive theory of reacting electrolyte mixtures

    NASA Astrophysics Data System (ADS)

    Costa Reis, Martina; Wang, Yongqi; Bono Maurizio Sacchi Bassi, Adalberto

    2013-11-01

    A constitutive theory of reacting electrolyte mixtures is formulated. The intermolecular interactions among the constituents of the mixture are accounted for through additional freedom degrees to each constituent of the mixture. Balance equations for polar reacting continuum mixtures are accordingly formulated and a proper set of constitutive equations is derived with basis in the Müller-Liu formulation of the second law of thermodynamics. Moreover, the non-equilibrium and equilibrium responses of the reacting mixture are investigated in detail by emphasizing the inner and reactive structures of the medium. From the balance laws and constitutive relations, the effects of molecular structure of constituents upon the fluid flow are studied. It is also demonstrated that the local thermodynamic equilibrium state can be reached without imposing that the set of independent constitutive variables is time independent, neither spatially homogeneous nor null. The resulting constitutive relations presented throughout this work are of relevance to many practical applications, such as swelling of clays, developing of bio and polymeric membranes, and use of electrorheological fluids in industrial processes. The first author acknowledges financial support from National Counsel of Technological and Scientific Development (CNPq) and German Academic Exchange Service (DAAD).

  20. Deconvolution of spectra for intimate mixtures

    NASA Technical Reports Server (NTRS)

    Mustard, John F.; Pieters, Carle M.; Pratt, Stephen F.

    1987-01-01

    Visible to near infrared reflectance spectra of macroscopic mixtures have been shown to be linear combinations of the reflections of the pure mineral components in the mixture. However, for microscopic mixtures the mixing systematics are in general nonlinear. The systematics may be linearized by conversion of reflectance to single scattering albedo (w), where the equations which relate reflectance to w depend on the method of data collection. Several proposed mixing models may be used to estimate mineral abundances from the reflectance spectra of intimate mixtures. These models are summarized and a revised model is presented. A noniterative (linear) least squares approach was used for curve fitting and the data, measured as bi-directional reflectance with incidence and emergence angles of 30 and 0 deg were converted to w by a simplified version of Hapke's equation for bi-directional reflectance. This model was tested with two mixture series composed of 45 to 75 micron particles: an anorthite-enstatite series and an olivine-magnetite series. The data indicate that the simplified Hapke's equation may be used to convolve reflectance spectra into mineral abundances if appropriate endmembers are known or derived from other techniques. For surfaces that contain a significant component of very low albedo material, a somewhat modified version of this technique will need to be developed. Since the abundances are calculated using a noniterative approach, the application of this method is especially efficient for large spectral data sets, such as those produced by mapping spectrometers.

  1. Mixture models for distance sampling detection functions.

    PubMed

    Miller, David L; Thomas, Len

    2015-01-01

    We present a new class of models for the detection function in distance sampling surveys of wildlife populations, based on finite mixtures of simple parametric key functions such as the half-normal. The models share many of the features of the widely-used "key function plus series adjustment" (K+A) formulation: they are flexible, produce plausible shapes with a small number of parameters, allow incorporation of covariates in addition to distance and can be fitted using maximum likelihood. One important advantage over the K+A approach is that the mixtures are automatically monotonic non-increasing and non-negative, so constrained optimization is not required to ensure distance sampling assumptions are honoured. We compare the mixture formulation to the K+A approach using simulations to evaluate its applicability in a wide set of challenging situations. We also re-analyze four previously problematic real-world case studies. We find mixtures outperform K+A methods in many cases, particularly spiked line transect data (i.e., where detectability drops rapidly at small distances) and larger sample sizes. We recommend that current standard model selection methods for distance sampling detection functions are extended to include mixture models in the candidate set. PMID:25793744

  2. Qualitative and quantitative analysis of mixtures of compounds containing both hydrogen and deuterium

    NASA Technical Reports Server (NTRS)

    Crespi, H. L.; Harkness, L.; Katz, J. J.; Norman, G.; Saur, W.

    1969-01-01

    Method allows qualitative and quantitative analysis of mixtures of partially deuterated compounds. Nuclear magnetic resonance spectroscopy determines location and amount of deuterium in organic compounds but not fully deuterated compounds. Mass spectroscopy can detect fully deuterated species but not the location.

  3. 40 CFR Table 2c to Subpart E of... - Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 5 2011-07-01 2011-07-01 false Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures 2C Table 2C to Subpart E of Part 59 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL VOLATILE ORGANIC COMPOUND EMISSION...

  4. 40 CFR Table 2b to Subpart E of... - Reactivity Factors for Aliphatic Hydrocarbon Solvent Mixtures

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 5 2010-07-01 2010-07-01 false Reactivity Factors for Aliphatic Hydrocarbon Solvent Mixtures 2B Table 2B to Subpart E of Part 59 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL VOLATILE ORGANIC COMPOUND EMISSION...

  5. 40 CFR Table 2b to Subpart E of... - Reactivity Factors for Aliphatic Hydrocarbon Solvent Mixtures

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 5 2011-07-01 2011-07-01 false Reactivity Factors for Aliphatic Hydrocarbon Solvent Mixtures 2B Table 2B to Subpart E of Part 59 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL VOLATILE ORGANIC COMPOUND EMISSION...

  6. 40 CFR Table 2c to Subpart E of... - Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 5 2010-07-01 2010-07-01 false Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures 2C Table 2C to Subpart E of Part 59 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL VOLATILE ORGANIC COMPOUND EMISSION...

  7. Combining Toxicological and Chemical Characterization of Complex Mixtures to Understand the Impact of the Unknown Fraction

    EPA Science Inventory

    Toxicological assessment of adverse health outcomes associated with exposure to complex mixtures provides an integrated response of the organism (or in vitro test system) that accounts for additivity among the components (both dose and response) as well as any greater than or les...

  8. SIPCAn (Separation, Isolation, Purification, Characterization, and Analysis): A One-Term, Integrated Project for the Undergraduate Organic Laboratory

    ERIC Educational Resources Information Center

    Dintzner, Matthew R.; Kinzie, Charles R.; Pulkrabek, Kimberly A.; Arena, Anthony F.

    2011-01-01

    SIPCAn, an acronym for separation, isolation, purification, characterization, and analysis, is presented as a one-term, integrated project for the first-term undergraduate organic laboratory course. Students are assigned two mixtures of unknown organic compounds--a mixture of two liquid compounds and a mixture of two solid compounds--at the…

  9. SIPCAn (Separation, Isolation, Purification, Characterization, and Analysis): A One-Term, Integrated Project for the Undergraduate Organic Laboratory

    ERIC Educational Resources Information Center

    Dintzner, Matthew R.; Kinzie, Charles R.; Pulkrabek, Kimberly A.; Arena, Anthony F.

    2011-01-01

    SIPCAn, an acronym for separation, isolation, purification, characterization, and analysis, is presented as a one-term, integrated project for the first-term undergraduate organic laboratory course. Students are assigned two mixtures of unknown organic compounds--a mixture of two liquid compounds and a mixture of two solid compounds--at the

  10. Establishment of three permanent cover crop seed mixtures in Hungarian vineyards

    NASA Astrophysics Data System (ADS)

    Miglécz, Tamas; Valkó, Orsolya; Donkó, Ádám; Deák, Balázs; Török, Péter; Kelemen, András; Drexler, Dóra; Tóthmérész, Béla

    2015-04-01

    In organic vineyard farming sowing high diversity cover crop seed mixtures offers a great opportunity to overcome high-priority problems mitigating vineyard cultivation, such as gain erosion control, save soil fertility, improve soil microbial activity and control weeds. Furthermore, we can also improve the biodiversity and ecosystem services of vineyards. Mainly non-native or low diversity seed mixtures are used for cover cropping containing some grass, grain or Fabaceae species. We studied vegetation development after sowing native high-diversity seed mixtures in four vineyards in an on farm field trial. We compared the effects of 4 treatments: (i) Biocont-Ecowin mixture (12 species), (ii) Fabaceae mixture (9 species), (iii) Grass-forb mixture (16 species) and control (no seed sowing). Study sites were located in Tokaj wine region, East Hungary. Seed mixtures were sown in March, 2012. After sowing, we recorded the percentage cover of vascular plant species in the end of June 2012, 2013 and 2014 in altogether 80 permanent plots. In the first year the establishment and weed control of Biocont-Ecowin and Legume seed mixture was the best. For the second year in inter-rows sown with Grass-herb and Legume seed mixtures we detected decreasing weed cover scores, while in inter-rows sown with Biocont-Ecowin seed mixture and in control inter-rows we detected higher weed cover scores. In the third year we still detected lower weed cover scores in inter-rows sown with Grass-forb and Legume seed mixtures, however on several sites we also detected decreasing cover of sown species. All sown species were detected in our plots during the time of the study, however some species were present only with low cover scores or only in a few plots. Out of the sown species Lotus corniculatus, Medicago lupulina, Plantago lanceolata, Trifolium repens, T. pratense and Coronilla varia established the most successfully, and had high cover scores on most sites even in the second and third year. Our trial to develop species rich cover crops was successful. According to our findings sowing high-diversity seed mixtures in cover cropping offers a good opportunity to gain weed control.

  11. Detailed Kinetic Modeling of Gasoline Surrogate Mixtures

    SciTech Connect

    Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K

    2009-03-09

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  12. Power to detect normal mixtures: Simulation results

    SciTech Connect

    Thode, H.C. Jr.

    1992-07-22

    Twenty tests for normality were compared for the purpose of detecting mixtures of two normal components with unequal means but equal variance. The purpose of this study was to determine the power of tests specifically designed to detect mixtures, i.e., the likelihood ratio and Engelman-Hartigan tests, relative to other tests for normality. We considered the entire range of mixing proportions [pi], 0 < [pi] < 1. For mixtures that are nearly symmetric (0.35 < [pi] < 0.65) the Engelman-Hartigan test was the most powerful. When [pi] > 0.85 or [pi] < 0.15, [radical]b[sub 1] was among the best tests. For intermediate mixing proportions, the likelihood ratio test was best. For situations in which the preferred test had power 50% or more, the power of the likelihood ratio test was also above 50% and within 15 percentage points of the preferred test.

  13. Power to detect normal mixtures: Simulation results

    SciTech Connect

    Thode, H.C. Jr.

    1992-07-22

    Twenty tests for normality were compared for the purpose of detecting mixtures of two normal components with unequal means but equal variance. The purpose of this study was to determine the power of tests specifically designed to detect mixtures, i.e., the likelihood ratio and Engelman-Hartigan tests, relative to other tests for normality. We considered the entire range of mixing proportions {pi}, 0 < {pi} < 1. For mixtures that are nearly symmetric (0.35 < {pi} < 0.65) the Engelman-Hartigan test was the most powerful. When {pi} > 0.85 or {pi} < 0.15, {radical}b{sub 1} was among the best tests. For intermediate mixing proportions, the likelihood ratio test was best. For situations in which the preferred test had power 50% or more, the power of the likelihood ratio test was also above 50% and within 15 percentage points of the preferred test.

  14. Mixtures of planetary ices at extreme conditions.

    PubMed

    Lee, Mal-Soon; Scandolo, Sandro

    2011-01-01

    The interiors of Neptune and Uranus are believed to be primarily composed of a fluid mixture of methane and water. The mixture is subjected to pressures up to several hundred gigapascal, causing the ionization of water. Laboratory and simulation studies so far have focused on the properties of the individual components. Here we show, using first-principle molecular dynamic simulations, that the properties of the mixed fluid are qualitatively different with respect to those of its components at the same conditions. We observe a pressure-induced softening of the methane-water intermolecular repulsion that points to an enhancement of mixing under extreme conditions. Ionized water causes the progressive ionization of methane and the mixture becomes electronically conductive at milder conditions than pure water, indicating that the planetary magnetic field of Uranus and Neptune may originate at shallower depths than currently assumed. PMID:21304514

  15. Ethane-xenon mixtures under shock conditions

    NASA Astrophysics Data System (ADS)

    Magyar, Rudolph J.; Root, Seth; Cochrane, Kyle; Mattsson, Thomas R.; Flicker, Dawn G.

    2015-04-01

    Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. To validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. The DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.

  16. Are individual NOEC levels safe for mixtures? A study on mixture toxicity of brominated flame-retardants in the copepod Nitocra spinipes.

    PubMed

    Breitholtz, Magnus; Nyholm, Jenny Rattfelt; Karlsson, Jenny; Andersson, Patrik L

    2008-07-01

    In aquatic ecosystems organisms are exposed to mixtures of pollutants. Still, risk assessment focuses almost exclusively on effect characterization of individual substances. The main objective of the current study was therefore to study mixture toxicity of a common group of industrial substances, i.e., brominated flame-retardants (BFRs), in the harpacticoid copepod Nitocra spinipes. Initially, 10 BFRs with high hydrophobicity but otherwise varying chemical characteristics were selected based on multivariate chemical characterization and tested individually for effects on mortality and development using a partial life cycle test (six days) where silica gel is used as a carrier of the hydrophobic substances. Based on these findings, six of the 10 BFRs were mixed in a series of NOEC proportions (which were set to 0.008, 0.04, 0.2, 1, and five times the NOEC concentrations for each individual BFR), loaded on silica gel and tested in a full life cycle test (26 days). Significantly increased mortality was observed in N. spinipes after six and 26 days exposure at a NOEC proportion that equals the NOEC LDR value (x1) for each BFR in the mixture (p=0.0015 and p=0.0105, respectively). At the NOECx5 proportion all animals were dead. None of the other NOEC proportions caused significant negative responses related to development and reproduction. This shows that low concentrations of individual substances can cause toxicity if exposed in mixtures, which highlights the need to consider mixture toxicity to a greater extent in regulatory work. PMID:18561976

  17. Two dimensional mixtures at water surface

    NASA Astrophysics Data System (ADS)

    Choudhuri, Madhumita; Datta, Alokmay

    2013-02-01

    Thiol capped gold nanoparticles (Au NPs) form a simple two dimensional (2D) liquid on water surface but this thin film is unstable under compression. Amphiphilic stearic acid (StA) molecules on water surface, on the other hand, form a complex and more stable 2D liquid. We have initiated a study on a mixture of StA and Au NPs in a monolayer through Surface Pressure (π) - Specific Molecular Area (A) isotherms and Brewster Angle Microscopy (BAM). A mixture of Stearic Acid and Au nanoparticles (10% by weight) produces a monolayer on water surface that acts as a 2D liquid with phases that are completely reversible with negligible hysteresis.

  18. Thermophysical Properties of Fluids and Fluid Mixtures

    SciTech Connect

    Sengers, Jan V.; Anisimov, Mikhail A.

    2004-05-03

    The major goal of the project was to study the effect of critical fluctuations on the thermophysical properties and phase behavior of fluids and fluid mixtures. Long-range fluctuations appear because of the presence of critical phase transitions. A global theory of critical fluctuations was developed and applied to represent thermodynamic properties and transport properties of molecular fluids and fluid mixtures. In the second phase of the project, the theory was extended to deal with critical fluctuations in complex fluids such as polymer solutions and electrolyte solutions. The theoretical predictions have been confirmed by computer simulations and by light-scattering experiments. Fluctuations in fluids in nonequilibrium states have also been investigated.

  19. Elemental and configural processing of odour mixtures in the newborn rabbit.

    PubMed

    Coureaud, Gérard; Hamdani, Younes; Schaal, Benoist; Thomas-Danguin, Thierry

    2009-08-01

    The processing of odour mixtures by young organisms is poorly understood. Recently, the perception of an AB mixture, known to engage configural perception in adult humans, was suggested also to be partially configural in newborn rabbits. In particular, pups did not respond to AB after they had learned A or B. However, two alternative hypotheses might be suggested to explain this result: the presence in the mixture of a novel odorant that inhibits the response to the learned stimulus, and the unevenness of the sensory and cognitive processes engaged during the conditioning and the behavioural testing. We conducted four experiments to explore these alternative hypotheses. In experiment 1, the learning of A or B ended in responses to mixtures including a novel odorant (AC or BC). Experiment 2 pointed to the absence of overshadowing. Therefore, a novelty effect cannot explain the non-response to AB after the learning of A or B. In experiment 3, pups having learned A or B in AC or BC did not respond to AB. However, they generalized odour information acquired in AB to AC or BC in experiment 4. Thus, the balancing of the perceptual tasks between the conditioning and retention test does not enhance the response to the AB mixture. To sum up, the present experiments give concrete support to the partially configural perception of specific odour mixtures by newborn rabbits. PMID:19648396

  20. Metal mixture modeling evaluation project: 3. Lessons learned and steps forward.

    PubMed

    Farley, Kevin J; Meyer, Joseph S

    2015-04-01

    A comparison of 4 metal mixture toxicity models (that were based on the biotic ligand model [BLM] and the Windermere humic aqueous model using the toxicity function [WHAM-FTOX ]) was presented in a previous paper. In the present study, a streamlined version of the 4 models was developed and applied to multiple data sets and test conditions to examine key assumptions and calibration strategies that are crucial in modeling metal mixture toxicity. Results show that 1) a single binding site on or in the organism was a useful and oftentimes sufficient framework for predicting metal toxicity; 2) a linear free energy relationship (LFER) for bidentate binding of metals and cations to the biotic ligand provided a good first estimate of binding coefficients; 3) although adjustments in metal binding coefficients or adjustments in chemical potency factors can both be used in model calibration for single-metal exposures, changing metal binding coefficients or chemical potency factors had different effects on model predictions for metal mixtures; and 4) selection of a mixture toxicity model (based on concentration addition or independent action) was important in predicting metal mixture toxicity. Moving forward, efforts should focus on reducing uncertainties in model calibration, including development of better methods to characterize metal binding to toxicologically active binding sites, conducting targeted exposure studies to advance the understanding of metal mixture toxicity, and further developing LFERs and other tools to help constrain the model calibration. PMID:25475765

  1. Investigation on minimum ignition energy of mixtures of α-pinene-benzene/air.

    PubMed

    Coudour, B; Chetehouna, K; Rudz, S; Gillard, P; Garo, J P

    2015-01-01

    Minimum ignition energies (MIE) of α-pinene-benzene/air mixtures at a given temperature for different equivalence ratios and fuel proportions are experimented in this paper. We used a cylindrical chamber of combustion using a nanosecond pulse at 1,064 nm from a Q-switched Nd:YAG laser. Laser-induced spark ignitions were studied for two molar proportions of α-pinene/benzene mixtures, respectively 20-80% and 50-50%. The effect of the equivalence ratio (Φ) has been investigated for 0.7, 0.9, 1.1 and 1.5 and ignition of fuel/air mixtures has been experimented for two different incident laser energies: 25 and 33 mJ. This study aims at observing the influence of different α-pinene/benzene proportions on the flammability of the mixture to have further knowledge of the potential of biogenic volatile organic compounds (BVOCs) and smoke mixtures to influence forest fires, especially in the case of the accelerating forest fire phenomenon (AFF). Results of ignition probability and energy absorption are based on 400 laser shots for each studied fuel proportions. MIE results as functions of equivalence ratio compared to data of pure α-pinene and pure benzene demonstrate that the presence of benzene in α-pinene-air mixture tends to increase ignition probability and reduce MIE without depending strongly on the α-pinene/benzene proportion. PMID:25464289

  2. Application of the Electronic Nose Technique to Differentiation between Model Mixtures with COPD Markers

    PubMed Central

    Dymerski, Tomasz; Gębicki, Jacek; Wiśniewska, Paulina; Śliwińska, Magdalena; Wardencki, Waldemar; Namieśnik, Jacek

    2013-01-01

    The paper presents the potential of an electronic nose technique in the field of fast diagnostics of patients suspected of Chronic Obstructive Pulmonary Disease (COPD). The investigations were performed using a simple electronic nose prototype equipped with a set of six semiconductor sensors manufactured by FIGARO Co. They were aimed at verification of a possibility of differentiation between model reference mixtures with potential COPD markers (N,N-dimethylformamide and N,N-dimethylacetamide). These mixtures contained volatile organic compounds (VOCs) such as acetone, isoprene, carbon disulphide, propan-2-ol, formamide, benzene, toluene, acetonitrile, acetic acid, dimethyl ether, dimethyl sulphide, acrolein, furan, propanol and pyridine, recognized as the components of exhaled air. The model reference mixtures were prepared at three concentration levels—10 ppb, 25 ppb, 50 ppb v/v—of each component, except for the COPD markers. Concentration of the COPD markers in the mixtures was from 0 ppb to 100 ppb v/v. Interpretation of the obtained data employed principal component analysis (PCA). The investigations revealed the usefulness of the electronic device only in the case when the concentration of the COPD markers was twice as high as the concentration of the remaining components of the mixture and for a limited number of basic mixture components. PMID:23591962

  3. Effects of Multi-metal (Cu, Zn, Cd, Cr, and Mn) Mixtures on the Reproduction of Freshwater Rotifer Brachionus calyciflorus.

    PubMed

    Xu, Xiao-Ping; Xi, Yi-Long; Huang, Lin; Xiang, Xian-Ling

    2015-12-01

    In the field, organisms are usually exposed to mixtures of various metals. However, the effects of multi-metal mixtures on growth and reproduction of rotifers remain unknown. In the present study, effects of multi-metal mixtures (Cu, Zn, Cd, Cr, and Mn) on reproduction of the freshwater rotifer Brachionus calyciflorus were assessed by determining various endpoints, including the ratio of ovigerous females to nonovigerous females, the ratio of mictic to amictic females, the mictic rate, the fertilization rate, the population growth rate, and the resting eggs production. The results demonstrated that reproduction of rotifers was significantly affected by all multi-metal mixtures assessed. Moreover, the ratio of mictic to amictic females was the most sensitive endpoint and might be suitable to evaluate effects of multi-metal mixtures to rotifers. PMID:26464391

  4. ADDITIVITY ASSESSMENT OF TRIHALOMETHANE MIXTURES BY PROPORTIONAL RESPONSE ADDITION

    EPA Science Inventory

    If additivity is known or assumed, the toxicity of a chemical mixture may be predicted from the dose response curves of the individual chemicals comprising the mixture. As single chemical data are abundant and mixture data sparse, mixture risk methods that utilize single chemical...

  5. Productivity, botanical composition, and nutritive value of commercial pasture mixtures

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Pastures in the northeastern USA often are planted to mixtures of grasses and legumes. There is limited public sector information on the performance of commercial forage mixtures. We evaluated a range of commercial pasture mixtures to determine if the number of species in a mixture affected yield an...

  6. Toxicity of a hazardous chemical mixture in the planarian, Dugesia dorotocephala

    SciTech Connect

    Ramsdell, H.S.; Matthews, C.M.

    1995-12-31

    The responses of the planarian, Dugesia dorotocephala to toxic chemical mixtures representative of water contaminants associated with hazardous waste sites have been studied in laboratory experiments. These free-living flatworms are readily maintained under laboratory conditions and are a useful invertebrate model for toxicology studies. Their widespread occurrence also makes them potentially useful for environmental studies. Mature asexual Dugesia dorotocephala were exposed for 14 days to mixtures of seven contaminants frequently detected in water at hazardous waste sites. The complete 1X mixture contained both metals (As, 3.1 ppm; Cr, 0.7 ppm; Pb, 3.7 ppm) and organics (chloroform, 1.5 ppm; benzene, 5.0 ppm; phenol, 3.4 ppm; trichloroethylene, 3.8 ppm). Groups of planaria were treated with the complete mixture at 0.1X, 1X and 10X concentrations. Additional groups were exposed to the metals-only or organics-only submixtures, also at 0.1X, 1X and 10X concentrations. Treatment solutions were renewed daily. Suppression of fissioning was observed in all of the 1X and 10X treatment groups. Significant mortality occurred only in the 10X complete and 1 0X metals-only treatments. It appears that the toxic effects of the complete mixture are primarily associated with the metal components.

  7. Low concentrations of metal mixture exposures have adverse effects on selected biomarkers of Xenopus laevis tadpoles.

    PubMed

    Yologlu, Ertan; Ozmen, Murat

    2015-11-01

    Polluted ecosystems may contain mixtures of metals, such that the combinations of metals, even in low concentrations, may cause adverse effects. In the present study, we focused on toxic effects of mixtures of selected metals, the LC50 values, and also their safety limit in aquatic systems imposed by the European legislation using a model organism. Xenopus laevis tadpoles were used as test organisms. They were exposed to metals or their combinations due to 96-h LC50 values. Glutathione S-transferase (GST), glutathione reductase (GR), acetylcholinesterase (AChE), carboxylesterase (CaE), glutathione peroxidase (GPx), and catalase (CAT) levels were evaluated. Metallothionein concentrations were also determined. The LC50s for Cd, Pb, and Cu were calculated as 5.81mg AI/L, 123.05mg AI/L, and 0.85mg AI/L, respectively. Low lethality ratios were observed with unary exposure of each metal in lower concentrations. Double or triple combinations of LC50 and LC50/2 concentrations caused 100% lethality with Cd+Cu and Pb+Cd+Cu mixtures, while the Pb+Cu mixture also caused high lethal ratios. The selected enzyme activities were significantly affected by metals or mixtures, and dose-related effects were determined. The metallothionein levels generally increased as related to concentration in unary metals and mixtures. Acceptable limit values of unary metals and mixtures did not significantly change metallothionein levels. The results suggest that oxidative stress-related mechanisms are involved in the toxicity induced by selected metals with combinations of very low concentrations. PMID:26415005

  8. Acute toxicity of commonly used forestry herbicide mixtures to Ceriodaphnia dubia and Pimephales promelas.

    PubMed

    Tatum, Vickie L; Borton, Dennis L; Streblow, William R; Louch, Jeffrey; Shepard, James P

    2012-12-01

    Because many herbicides selectively control specific species or types of vegetation, they are often applied as mixtures to achieve better control over undesirable vegetation. When herbicides are applied in forest ecosystems, streams, ponds, and other bodies of water are typically protected by buffer zones in which no herbicide is applied. However, in some landscapes, small wetlands and streams are difficult to see and avoid, thus the potential acute toxicity of herbicide mixtures to aquatic organisms is of interest, yet it has not been well-studied. We examined the acute toxicity of 23 different herbicide mixtures to Ceriodaphnia dubia and fathead minnows (Pimephales promelas) at environmentally relevant concentrations, and, where possible, characterized mixture interactions using Marking's Additive Index. Maximum exposure concentrations were equivalent to applying the maximum allowable rate for each component directly to the surface of a 6-in. deep pond with no dissipation following application. Under the conditions of this study, herbicide formulations containing Accord Concentrate (glyphosate), Arsenal AC (imazapyr), Chopper (imazapyr), Escort (metsulfuron methyl), Oust XP (sulfometuron methyl), and Velpar L (hexazinone) were not associated with appreciable acute toxicity to fathead minnows or C. dubia when used alone or in mixtures with each other and various surfactants and adjuvants. Herbicide mixtures for which Additive Indexes could be calculated exhibited primarily antagonistic or simple additive toxicity. In the few cases where synergistic toxicity was observed, the degree of synergism was slight, never exceeding approximately twice the effect estimated based on additive toxicity. Based on the results of this study, neither acute toxicity nor enhanced acute aquatic toxicity due to synergistic mixture effects appears to be a significant concern for applications of the herbicide mixtures most commonly used in forestry. PMID:21384491

  9. Surface Tension of Nonideal Binary Liquid Mixtures as a Function of Composition.

    PubMed

    Nath

    1999-01-01

    The composition dependence of the surface tension of highly nonideal organic-organic and aqueous-organic nonelectrolyte solutions is described, based on the assumption that the surface layer can be treated as a separate phase located between vapor and bulk liquid phases. The Wilson, NRTL, and UNIFAC methods are used for activity coefficients of surface and bulk phases and three techniques for calculation of molar surface areas, based on Paquette areas, Rasmussen areas, and a Langmuir-type approach are tested. Comparisons of the calculated surface tensions with experimental data yield mean absolute errors, in the best case, of less than 2.5% for the systems studied, all of which exhibit highly nonideal behavior. The surface tension predictions are found to be extremely sensitive to the values of the molar surface areas used in the computation. A Langmuir-type adsorption model is formulated to determine the surface mole fractions from a knowledge of the mixture surface tension as a function of bulk composition. A novel procedure is developed to obtain the partial molar surface area of the larger organic component as a function of composition in binary aqueous-organic systems, assuming that the two components are very dissimilar in size, and that deviations in the partial molar surface area of the smaller component (water) from its pure component molar surface area contribute negligibly to the total molar surface area of the mixture. This removes the approximation of equality of partial and pure component molar surface area for the larger organic component. Use of the Langmuir-type approach with partial molar surface areas improves surface tension predictions of highly nonideal aqueous-organic mixtures by 20% over use of pure component molar surface areas. It is an important first step in the development of a thermodynamically consistent theory of surfaces for liquid mixtures based on an accurate determination of the composition dependence of partial molar surface areas for all components. Copyright 1999 Academic Press. PMID:9878143

  10. Dry-Ice Bath Based on Ethylene Glycol Mixtures

    NASA Astrophysics Data System (ADS)

    Lee, Do W.; Jensen, Craig M.

    2000-05-01

    Bath mixtures of ethanol and ethylene glycol in dry ice produce sustainable constant temperatures over the range from -12 to -78 °C, which show a linear relationship between the bath temperature and the volume fraction of ethylene glycol. Our bath is less toxic than previously reported mixtures of ortho- and meta-xylene, and our mixture does not intractably solidify as will dry ice slurries of xylenes. Moreover, the cost of this mixture is less than that of the xylene mixtures.

  11. Brief report on primary mixture preparation for precise CO observation

    NASA Astrophysics Data System (ADS)

    Lee, J.; Lee, J. B.; Moon, D. M.; Kim, J. S.

    2012-04-01

    Greenhouse gases (GHG) have been known as causing materials of the greenhouse effect. Because it is very important to reduce their emission, they has been paid attention since Kyoto protocol to the United Nations Framework Convention on Climate Change. Accurate observation data of ambient GHG are vital for the study of the relationship between GHGs and global warming, but it is not easy to quantify their mixing ratios owing to their globally and temporally tiny variation. For example, mixing ratio of carbon dioxide in the atmosphere, is reported to be growing by +1.7 ppm (parts per million)/year for recen 10 years according to GAW report. CO has contributed as an indicator in that an air mass is from source or background, although it lacks its traceability. CO is known to be emitted from industry, vehicle, and biomass burning. The atmospheric lifetime of CO varies from weeks to months depending on OH radical amount however ambient CO ranges from 50 nmol/mol to 300 nmol/mol at marine boundary, from 100 nmol/mol to 500 nmol/mol at city area. In order to monitor precisely CO at ambient, the World Meteorological Organization (WMO) requires its measurement capability of 2 nmol/mol uncertainty. For these reasons, it's necessary for the measurement results to be accurate and consistent among the assigned standards. . In order to prepare CO/air standard mixtures with an absolute scale we have studied several factors on gravimetry; purity analysis of CO and an artificial air and stability including unexpected contamination during preparation and adsorption on inner wall of cylinders. Currently we are going to present the preliminary results on the development of standard mixtures with ~ 300 nmol/mol. The mixtures were verified by comparing their amount with a Gas Chromatography / Electron Capture Detector (GC/FID) and cavity ring down spectrometer (CRDS). Analytical capability during comparison is within ± 2 ppb, which satisfies WMO DQO.

  12. Development Characteristics of PMMA in alternative alcohol:water mixtures

    NASA Astrophysics Data System (ADS)

    Ocola, Leonidas E.

    2015-03-01

    The most widely used resist in electron beam lithography is polymethylmethacrylate (PMMA). The standard developers used are solution mixtures of isopropanol (IPA) and methyl isobutyl ketone (MIBK) in a ratio of 3:1 and mixtures of IPA and water (H2O) in a ratio of 7:3. The Globally Harmonized System (GHS) classification entry for IPA includes: Specific target organ toxicity - single exposure (Category 3). MIBK is much more hazardous than IPA. The only GHS classification entry for Ethanol is: Flammable liquids (Category 2), i.e. more environmentally safe. Using Ethanol/H2O as a developer will therefore enable lower hazardous waste disposal costs to cleanrooms. We find Ethanol/H2O at 85% volume (2:1 molar) exhibits excellent lithography results as good as with IPA/H2O, and better contrast and sensitivity than IPA/H2O and MIBK/IPA developers. Lithographic data shows trends similar to published cosolvency data, but differ too much to be explained by it. In addition, unusual development at 50% volume concentrations for both IPA and Ethanol in H2O show dramatic pothole formation instead of uniform thickness loss found in standard contrast curve exposures. We believe local pockets of concentrated alcohol water molar mixtures are responsible for such behavior. This work was supported by the Department of Energy under Contract No. DE-AC02-06CH11357. Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.

  13. Accumulation and effects of metal mixtures in two seaweed species.

    PubMed

    Jarvis, Tayler A; Bielmyer-Fraser, Gretchen K

    2015-05-01

    Metal pollution, due to various anthropogenic sources, may pose a threat to marine ecosystems. Metals can be introduced into food chains via bioaccumulation in primary producers, and may potentially lead to toxic effects. Macroalgae are used as food by a wide variety of organisms, and are therefore extremely important in aquatic systems. This study investigated the accumulation and effects of metals in two macroalgae species. The green seaweed, Ulva lactuca and the red seaweed, Agardhiella subulata were each concurrently exposed to five metals (Cu, Ni, Pb, Cd, and Zn) and U. lactuca was also exposed to each metal individually for 48 h. Metal accumulation in the seaweed was measured, and various photosynthetic parameters were assessed, using imaging pulse amplitude modulated (PAM) fluorometry. Increased metal accumulation occurred in both seaweed species after 48 h exposure to metal mixtures and each metal individually. The distribution of metals in both seaweed species changed with increasing metal exposure concentrations, resulting in higher proportions of Cu and Zn in the metal-exposed groups, as compared to respective controls. Further, U. lactuca accumulated higher concentrations of metals when exposed to each metal individually rather than in metal mixtures, suggesting interactions among metals for uptake and/or bioaccumulation. Significant impairment of photosynthetic parameters in U. lactuca was observed after exposure to 100 and 1000 μg/L metal mixtures, as well as 100 μg/L of either Cd or Cu. These results demonstrate metal bioaccumulation and toxic effects in important primary producers, and may have implications for higher trophic levels. PMID:25814321

  14. Continuous Crystallization of Urea-Water Mixture

    NASA Astrophysics Data System (ADS)

    Hokamura, Taku; Ohkubo, Hidetoshi; Watanabe, Satoshi; Seki, Mitsuo; Murakoshi, Hiromichi

    Ice slurries have been used as environmentally-friendly secondary refrigerants. In addition to such ice slurries, aqueous solutions in slurry-state have also been put to practical use at temperatures below 0 oC. Urea-water mixture is a multi-component substance that has a eutectic point. If we can form a two-phase fluid substance by the liquid-solid phases at the eutectic point, it can be used as a fluid latent heat storage material, which will maintain the secondary refrigerant in a heat exchanger at constant temperature. In the present study, we propose a urea-water mixture as a novel functional thermal fluid that can be used as a fluid latent heat material. To demonstrate its feasibility, we first measured the latent heat and density of a urea-water mixture, and then used a counter-flow double tube heat exchanger to produce a liquid-solid two-phase flow of the urea-water mixture. This work demonstrates that it is possible to make a fluid latent heat storage material continuously from an aqueous solution at the eutectic point by flowing it through a double tube heat exchanger equipped with a stirrer.

  15. Superconductor precursor mixtures made by precipitation method

    DOEpatents

    Bunker, Bruce C.; Lamppa, Diana L.; Voigt, James A.

    1989-01-01

    Method and apparatus for preparing highly pure homogeneous precursor powder mixtures for metal oxide superconductive ceramics. The mixes are prepared by instantaneous precipitation from stoichiometric solutions of metal salts such as nitrates at controlled pH's within the 9 to 12 range, by addition of solutions of non-complexing pyrolyzable cations, such as alkyammonium and carbonate ions.

  16. The Coffee-Milk Mixture Problem Revisited

    ERIC Educational Resources Information Center

    Marion, Charles F.

    2015-01-01

    This analysis of a problem that is frequently posed at professional development workshops, in print, and on the Web--the coffee-milk mixture riddle--illustrates the timeless advice of George Plya's masterpiece on problem solving in mathematics, "How to Solve It." In his book, Plya recommends that problems previously solved and put

  17. Regularized Finite Mixture Models for Probability Trajectories

    ERIC Educational Resources Information Center

    Shedden, Kerby; Zucker, Robert A.

    2008-01-01

    Finite mixture models are widely used in the analysis of growth trajectory data to discover subgroups of individuals exhibiting similar patterns of behavior over time. In practice, trajectories are usually modeled as polynomials, which may fail to capture important features of the longitudinal pattern. Focusing on dichotomous response measures, we…

  18. Improved 02/H2 Gas Mixture Sensor

    NASA Technical Reports Server (NTRS)

    Moulthrop, L. C.

    1983-01-01

    Monitor of mixture concentrations uses catalyzed and uncatalyzed temperature probe. Sensor includes Pt-catalyzed temperature probe mounted in line with similar uncatalyzed temperature probe. Use of common temperature probes and standard, flareless, high-pressure tubefittings resulted in design conductive to installation in almost any system. Suitable for use in regenerative fuel cells, life-support systems, and other closed systems.

  19. Mixtures with relatives and linked markers.

    PubMed

    Dørum, Guro; Kling, Daniel; Tillmar, Andreas; Vigeland, Magnus Dehli; Egeland, Thore

    2016-05-01

    Mixture DNA profiles commonly appear in forensic genetics, and a large number of statistical methods and software are available for such cases. However, most of the literature concerns mixtures where the contributors are assumed unrelated and the genetic markers are unlinked. In this paper, we consider mixtures of linked markers and related contributors. If no relationships are involved, linkage can be ignored. While unlinked markers can be treated independently, linkage introduces dependencies. The use of linked markers presents statistical and computational challenges, but may also lead to a considerable increase in power since the number of markers available is much larger if we do not require the markers to be unlinked. In addition, some cases that cannot be solved with an unlimited number of unlinked autosomal markers can be solved with linked markers. We focus on two special cases of linked markers: pairs of linked autosomal markers and X-chromosomal markers. A framework is presented for calculation of likelihood ratios for mixtures with general relationships and with linkage between any number of markers. Finally, we explore the effect of linkage disequilibrium, also called allelic association, on the likelihood ratio. PMID:26614310

  20. Evaporation of Liquid Hydrocarbon Mixtures on Titan

    NASA Astrophysics Data System (ADS)

    Luspay-Kuti, Adrienn; Chevrier, V. F.; Rivera-Valentin, E. G.; Singh, S.; Roe, L. A.; Wagner, A.

    2013-10-01

    Besides Earth, Titan is the only other known planetary body with proven stable liquids on its surface. The hydrological cycle of these liquid hydrocarbon mixtures is critical in understanding Titan’s atmosphere and surface features. Evaporation of liquid surface bodies has been indirectly observed as shoreline changes from measurements by Cassini ISS and RADAR (Hayes et al. 2011, Icarus 211, 655-671; Turtle et al. 2011, Science 18, 1414-1417.), but the long seasons of Saturn strongly limit the time span of these observations and their validity over the course of an entire Titan year. Using a novel Titan simulation chamber, the evaporation rate of liquid methane and dissolved nitrogen mixture under Titan surface conditions was derived (Luspay-Kuti et al. 2012, GRL 39, L23203), which is especially applicable to low latitude transient liquids. Polar lakes, though, are expected to be composed of a variety of hydrocarbons, primarily a mixture of ethane and methane (e.g. Cordier et al. 2009, ApJL 707, L128-L131). Here we performed laboratory simulations of ethane-methane mixtures with varying mole fraction under conditions suitable for the polar regions of Titan. We will discuss results specifically addressing the evaporation behavior as the solution becomes increasingly ethane dominated, providing quantitative values for the evaporation rate at every step. These laboratory results are relevant to polar lakes, such as Ontario Lacus, and can shed light on their stability.