WorldWideScience

Sample records for chemical mixtures proceedings

  1. Health and environmental effects of complex chemical mixtures: proceedings

    Energy Technology Data Exchange (ETDEWEB)

    1985-01-01

    The Office of Health and Environmental Research (OHER) of the Department of Energy supports a broad long-term research program on human health and environmental effects from potential exposure to energy-related complex chemical mixtures. The program seeks basic mechanistic data on the effects of complex mixtures at the cellular, molecular, and whole animal levels to aid in predicting human health effects and seeks ecological data on biological and physical transformations in the mixtures, concentrations of the mixtures in various compartments of the environment, and potential routes for human exposure to these mixtures (e.g., food chain). On June 17-18, 1985, OHER held its First Annual Technical Meeting on the Complex Chemical Mixtures Program in Chicago, IL. The primary purpose of the meeting was to enable principal investigators to report the research status and accomplishments of ongoing complex chemical mixture studies supported by OHER. To help focus future research directions round table discussions were conducted.

  2. Toxicological evaluation of chemical mixtures

    NARCIS (Netherlands)

    Feron, V.J.; Groten, J.P.

    2002-01-01

    This paper addresses major developments in the safety evaluation of chemical mixtures during the past 15 years, reviews today's state of the art of mixture toxicology, and discusses challenges ahead. Well-thought-out tailor-made mechanistic and empirical designs for studying the toxicity of mixtures

  3. Mixture toxicity of PBT-like chemicals

    DEFF Research Database (Denmark)

    Syberg, Kristian; Dai, Lina; Ramskov, Tina;

    beyond that of the individual components. Firstly, the effects of three chemicals with PBT-like properties (acetyl cedrene, pyrene and triclosan) was examined on the freshwater snail, Potamopyrgus antipodarum. Secondly, mixture bioaccumulation of the same three chemicals were assessed experimentally...

  4. Chemical mixtures: considering the evolution of toxicology and chemical assessment.

    Science.gov (United States)

    Monosson, Emily

    2005-04-01

    The assessment of chemical mixtures is a complex topic for toxicologists, regulators, and the public. In this article the linkage between the science of toxicology and the needs of governmental regulatory agencies in the United States is explored through an overview of environmental regulations enacted over the past century and a brief history of modern toxicology. One of the goals of this overview is to encourage both regulators and scientists to consider the benefits and limitations of this science-regulatory relationship as they tackle existing issues such as chemical mixtures. It is clear that a) over the past 100 years chemical regulation and toxicologic research, have in large part, shared a common emphasis on characterization and regulation of individual chemicals. But chemical mixtures have been, and continue to be, evaluated at hazardous waste sites around the United States. For this reason the current U.S. Environmental Protection Agency guidelines for chemical mixtures assessment are also reviewed. These guidelines highlight the current practice of mixtures assessment, which relies primarily on the existing single-chemical database. It is also clear that b) the science and assessment of chemical mixtures are moving forward through the combined efforts of regulatory agencies and scientists from a broad range of disciplines, including toxicology. Because toxicology is at this exciting crossroads, particular attention should be paid to the forces (e.g., public demands, regulatory needs, funding, academic interests) that both promote and limit the growth of this expanding discipline.

  5. Flows and chemical reactions in homogeneous mixtures

    CERN Document Server

    Prud'homme, Roger

    2013-01-01

    Flows with chemical reactions can occur in various fields such as combustion, process engineering, aeronautics, the atmospheric environment and aquatics. The examples of application chosen in this book mainly concern homogeneous reactive mixtures that can occur in propellers within the fields of process engineering and combustion: - propagation of sound and monodimensional flows in nozzles, which may include disequilibria of the internal modes of the energy of molecules; - ideal chemical reactors, stabilization of their steady operation points in the homogeneous case of a perfect mixture and c

  6. Toxicology of chemical mixtures: International perspective

    NARCIS (Netherlands)

    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 de

  7. Flows and chemical reactions in heterogeneous mixtures

    CERN Document Server

    Prud'homme, Roger

    2014-01-01

    This book - a sequel of previous publications 'Flows and Chemical Reactions' and 'Chemical Reactions in Flows and Homogeneous Mixtures' - is devoted to flows with chemical reactions in heterogeneous environments.  Heterogeneous media in this volume include interfaces and lines. They may be the site of radiation. Each type of flow is the subject of a chapter in this volume. We consider first, in Chapter 1, the question of the generation of environments biphasic individuals: dusty gas, mist, bubble flow.  Chapter 2 is devoted to the study at the mesoscopic scale: particle-fluid exchange of mom

  8. Continuum thermodynamics of chemically reacting fluid mixtures

    CERN Document Server

    Bothe, Dieter

    2014-01-01

    We consider viscous and heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, a first main aim is the derivation of a closed system of partial mass and partial momentum balances plus a common balance of internal energy. This is achieved by careful exploitation of the entropy principle which, in particular, requires appropriate definitions of absolute temperature and chemical potentials based on an adequate definition of thermal energy that excludes diffusive contributions. The latter is crucial in order to obtain a closure framework for the interaction forces between the different species. The interaction forces split into a thermo-mechanical and a chemical part, where the former turns out to be symmetric if binary interactions are assumed. In the non-reactive case, this leads to a system of Navier-Stokes type sub-systems, coupled by interspecies friction forces. For chemical...

  9. Quasi-chemical approximation for polyatomic mixtures

    CERN Document Server

    Dávila, M V; Matoz-Fernandez, D A; Ramirez-Pastor, A J

    2016-01-01

    The statistical thermodynamics of binary mixtures of polyatomic species was developed on a generalization in the spirit of the lattice-gas model and the quasi-chemical approximation (QCA). The new theoretical framework is obtained by combining: (i) the exact analytical expression for the partition function of non-interacting mixtures of linear $k$-mers and $l$-mers (species occupying $k$ sites and $l$ sites, respectively) adsorbed in one dimension, and its extension to higher dimensions; and (ii) a generalization of the classical QCA for multicomponent adsorbates and multisite-occupancy adsorption. The process is analyzed through the partial adsorption isotherms corresponding to both species of the mixture. Comparisons with analytical data from Bragg-Williams approximation (BWA) and Monte Carlo simulations are performed in order to test the validity of the theoretical model. Even though a good fitting is obtained from BWA, it is found that QCA provides a more accurate description of the phenomenon of adsorpti...

  10. Spinodal decomposition of chemically reactive binary mixtures

    Science.gov (United States)

    Lamorgese, A.; Mauri, R.

    2016-08-01

    We simulate the influence of a reversible isomerization reaction on the phase segregation process occurring after spinodal decomposition of a deeply quenched regular binary mixture, restricting attention to systems wherein material transport occurs solely by diffusion. Our theoretical approach follows a diffuse-interface model of partially miscible binary mixtures wherein the coupling between reaction and diffusion is addressed within the frame of nonequilibrium thermodynamics, leading to a linear dependence of the reaction rate on the chemical affinity. Ultimately, the rate for an elementary reaction depends on the local part of the chemical potential difference since reaction is an inherently local phenomenon. Based on two-dimensional simulation results, we express the competition between segregation and reaction as a function of the Damköhler number. For a phase-separating mixture with components having different physical properties, a skewed phase diagram leads, at large times, to a system converging to a single-phase equilibrium state, corresponding to the absolute minimum of the Gibbs free energy. This conclusion continues to hold for the critical phase separation of an ideally perfectly symmetric binary mixture, where the choice of final equilibrium state at large times depends on the initial mean concentration being slightly larger or less than the critical concentration.

  11. Chemometrics as a tool to analyse complex chemical mixtures

    DEFF Research Database (Denmark)

    Christensen, J. H.

    Chemical characterisation of contaminant mixtures is important for environmental forensics and risk assessment. The great challenge in future research lies in develop- ing suitable, rapid, reliable and objective methods for analysis of the composition of complex chemical mixtures. This thesis...

  12. 21 CFR 1310.12 - Exempt chemical mixtures.

    Science.gov (United States)

    2010-04-01

    ... § 1310.13 affects the criminal liability for illegal possession, distribution, exportation, or importation of listed chemicals contained in the exempt chemical mixture or the civil liability for...

  13. Safety evaluation of chemical mixtures and combinations of chemical and non-chemical stressors

    NARCIS (Netherlands)

    Jonker, D.; Freidig, A.P.; Groten, J.P.; Hollander, A.E.M.de; Stierum, R.H.; Woutersen, R.A.; Feron, V.J.

    2004-01-01

    Recent developments in hazard identification and risk assessment of chemical mixtures are reviewed. Empirical, descriptive approaches to study and characterize the toxicity of mixtures have dominated during the past two decades, but an increasing number of mechanistic approaches have made their entr

  14. 21 CFR 1310.13 - Exemption of chemical mixtures; application.

    Science.gov (United States)

    2010-04-01

    ...-listed chemicals); or (ii) If a group of mixtures, the concentration range for the listed chemical and a listing of all non-listed chemicals with respective concentration ranges. (5) (i) The chemical and... file written comments on or objections to the order. If any comments or objections raise...

  15. Tools and perspectives for assessing chemical mixtures and multiple stressors

    DEFF Research Database (Denmark)

    Løkke, Hans; Ragas, Ad M. J.; Holmstrup, Martin

    2013-01-01

    The present paper summarizes the most important insights and findings of the EU NoMiracle project with a focus on (1) risk assessment of chemical mixtures, (2) combinations of chemical and natural stressors, and (3) the receptor-oriented approach in cumulative risk assessment. The project aimed a...... is suggested. The results are discussed in the light of recent developments in risk assessment of mixtures and multiple stressors....

  16. Thyroid disrupting chemicals: Mechanisms and mixtures

    Science.gov (United States)

    Environmental contaminants are known to act as thyroid disrupting chemicals (TDCs). Broadly defined, TDCs are xenobiotics that alter the structure or function of the thyroid gland, alter regulatory enzymes associated with thyroid hormone (TH) homeostasis, or change circulating o...

  17. Threshold of Toxicological Concern (TTC) and Mixture Effects of Chemicals

    OpenAIRE

    Wennermark, Henrik

    2014-01-01

    The threshold of toxicological concern (TTC) has been proposed as a novel tool in the risk assessment of chemicals, which based on knowledge of chemical structure, can set safe-levels without the necessity of performing expensive and time consuming animal toxicity experiments. However, questions have been raised whether the TTC approach, in a sufficient manner, are capable of setting safe thresholds in the context of chemicals mixture effects. This is the subject for this project. The current...

  18. Mixtures of Estrogenic Chemicals Enhance Vitellogenic Response in Sea Bass

    OpenAIRE

    Correia, AD; Freitas, S.; Scholze, M; Gonçalves, J; Booij, P.; Lamoree, MH; Mañanós, E; Reis-Henriques, MA

    2007-01-01

    BACKGROUND: The potential impact of natural and synthetic estrogens on aquatic ecosystems has attracted considerable attention because it is currently accepted that their joint effects are more severe when they are present in mixtures. Although it is well-known that they occur as mixtures in the marine environment, there is little information about the combined effects of estrogenic chemicals on marine biota. OBJECTIVE: In 14-day tests with juvenile sea bass, we analyzed singly and in combina...

  19. Statistically designed experiments to screen chemical mixtures for possible interactions

    NARCIS (Netherlands)

    Groten, J.P.; Tajima, O.; Feron, V.J.; Schoen, E.D.

    1998-01-01

    For the accurate analysis of possible interactive effects of chemicals in a defined mixture, statistical designs are necessary to develop clear and manageable experiments. For instance, factorial designs have been successfully used to detect two-factor interactions. Particularly useful for this purp

  20. Towards decomposition of live chemical agents by pyrotechnic mixtures

    NARCIS (Netherlands)

    Bouma, R.H.B.; Noort, D.

    2012-01-01

    The aim of this study is to contribute to improved EOD neutralisation techniques against improvised explosive devices (IEDs) containing chemical agents. The decomposition of dimethyl methylphosphonate (DMMP) when exposed to a burning aluminum/potassium nitrate pyrotechnic mixture is studied experime

  1. Thermodynamic Analysis of Chemically Reacting Mixtures and Their Kinetics: Example of a Mixture of Three Isomers.

    Science.gov (United States)

    Pekař, Miloslav

    2016-10-18

    Thermodynamics provides consequences of and restrictions on chemically reacting mixtures, particularly their kinetics, which have not been fully explored. Herein, a comprehensive thermodynamic analysis is illustrated for a reacting mixture of three isomers. The rate equation is first derived on the basis of the results of nonequilibrium continuum thermodynamics of linear fluids, and is then subjected to the requirement of consistency with entropic inequality (the second law). This consistency test involves the correct representation of the reaction rate as a function of affinities. It is shown that entropic inequality restricts the signs or values of coefficients in the constitutive equations for reaction rates/rate constants. The use of reverse rate constants and the identification of thermodynamic and kinetic equilibrium constants are not necessary in this approach. Although the presented thermodynamic analysis works only for independent reactions, the rates of dependent reactions are not excluded from having effects on kinetics. It is shown that the rates of dependent reactions are combined from the rates of independent reactions differently than dependent reactions are combined from independent reactions. The results are compared to the classical mass-action rate equations, and new restrictions on the values of the classical rate constants are derived.

  2. 40 CFR 799.5025 - Testing consent orders for mixtures without Chemical Abstracts Service Registry Numbers.

    Science.gov (United States)

    2010-07-01

    ... without Chemical Abstracts Service Registry Numbers. 799.5025 Section 799.5025 Protection of Environment... orders for mixtures without Chemical Abstracts Service Registry Numbers. This section sets forth a list of mixtures (with no Chemical Abstracts Service Registry Numbers) which are the subject of...

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

    Science.gov (United States)

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

    2002-12-01

    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

  4. Performance Characteristic of Cold Recycled Mixture with Asphalt Emulsion and Chemical Additives

    Directory of Open Access Journals (Sweden)

    Shaowen Du

    2015-01-01

    Full Text Available Three types of chemical additives were used to modify asphalt emulsion recycled mixture. These chemical additives include composite Portland cement (CPC, hydrated lime (HL, and a combination of hydrated lime and ground-granulated blast-furnace slag (GGBF. The influence of different additives on the recycled mixture performance was investigated by volumetric and strength tests, moisture susceptibility test, rutting resistance test, and low temperature bending test. To better understand its performance characteristic, the microstructure images of the recycled mixture were observed by environmental scanning electron microscope (ESEM. Test results demonstrate that the performance improvement of the emulsion recycled mixture depends on the types and content of chemical additives. Several recommendations are presented for the selection of chemical materials. Based on ESEM image analysis, the interface bonding mechanism is proposed to explain the performance characteristic of the recycled mixture with asphalt emulsion and cementitious materials.

  5. Software for analysis of chemical mixtures--composition, occurrence, distribution, and possible toxicity

    Science.gov (United States)

    Scott, Jonathon C.; Skach, Kenneth A.; Toccalino, Patricia L.

    2013-01-01

    The composition, occurrence, distribution, and possible toxicity of chemical mixtures in the environment are research concerns of the U.S. Geological Survey and others. The presence of specific chemical mixtures may serve as indicators of natural phenomena or human-caused events. Chemical mixtures may also have ecological, industrial, geochemical, or toxicological effects. Chemical-mixture occurrences vary by analyte composition and concentration. Four related computer programs have been developed by the National Water-Quality Assessment Program of the U.S. Geological Survey for research of chemical-mixture compositions, occurrences, distributions, and possible toxicities. The compositions and occurrences are identified for the user-supplied data, and therefore the resultant counts are constrained by the user’s choices for the selection of chemicals, reporting limits for the analytical methods, spatial coverage, and time span for the data supplied. The distribution of chemical mixtures may be spatial, temporal, and (or) related to some other variable, such as chemical usage. Possible toxicities optionally are estimated from user-supplied benchmark data. The software for the analysis of chemical mixtures described in this report is designed to work with chemical-analysis data files retrieved from the U.S. Geological Survey National Water Information System but can also be used with appropriately formatted data from other sources. Installation and usage of the mixture software are documented. This mixture software was designed to function with minimal changes on a variety of computer-operating systems. To obtain the software described herein and other U.S. Geological Survey software, visit http://water.usgs.gov/software/.

  6. Modelling of associating mixtures for applications in the oil & gas and chemical industries

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Folas, Georgios; Muro Sunè, Nuria

    2007-01-01

    -alcohol (glycol)-alkanes and certain acid and amine-containing mixtures. Recent results include glycol-aromatic hydrocarbons including multiphase, multicomponent equilibria and gas hydrate calculations in combination with the van der Waals-Platteeuw model. This article will outline some new applications...... of the model of relevance to the petroleum and chemical industries: high pressure vapor-liquid and liquid-liquid equilibrium in alcohol-containing mixtures, mixtures with gas hydrate inhibitors and mixtures with polar and hydrogen bonding chemicals including organic acids. Some comparisons with conventional...

  7. Mixture

    Directory of Open Access Journals (Sweden)

    Silva-Aguilar Martín

    2011-01-01

    Full Text Available Metals are ubiquitous pollutants present as mixtures. In particular, mixture of arsenic-cadmium-lead is among the leading toxic agents detected in the environment. These metals have carcinogenic and cell-transforming potential. In this study, we used a two step cell transformation model, to determine the role of oxidative stress in transformation induced by a mixture of arsenic-cadmium-lead. Oxidative damage and antioxidant response were determined. Metal mixture treatment induces the increase of damage markers and the antioxidant response. Loss of cell viability and increased transforming potential were observed during the promotion phase. This finding correlated significantly with generation of reactive oxygen species. Cotreatment with N-acetyl-cysteine induces effect on the transforming capacity; while a diminution was found in initiation, in promotion phase a total block of the transforming capacity was observed. Our results suggest that oxidative stress generated by metal mixture plays an important role only in promotion phase promoting transforming capacity.

  8. Overview of human health and chemical mixtures: problems facing developing countries.

    OpenAIRE

    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 ...

  9. Automatic NMR-based identification of chemical reaction types in mixtures of co-occurring reactions.

    Science.gov (United States)

    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

  10. 40 CFR 790.26 - Initiation and completion of rulemaking proceedings on ITC-designated chemicals.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 31 2010-07-01 2010-07-01 true Initiation and completion of rulemaking proceedings on ITC-designated chemicals. 790.26 Section 790.26 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT (CONTINUED) PROCEDURES GOVERNING TESTING CONSENT AGREEMENTS AND TEST RULES...

  11. A Method for Quantitative Analysis of Chemical Mixtures with THz Time Domain Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zeng-Yan; JI Te; YU Xiao-Han; XIAO Ti-Qiao; XU Hong-Jie

    2006-01-01

    @@ A method for analysing chemical mixtures quantitatively with terahertz time domain spectroscopy is proposed.The experimental results demonstrate the feasibility of this technique. Transmission coefficient of THz wave at the sample surface is taken into account to improve the analytic precision. Isomer mixtures are chosen as the experimental samples. Compared to similar techniques, the analytic precision could be improved evidently in this method.

  12. Solutions of the chemical kinetic equations for initially inhomogeneous mixtures.

    Science.gov (United States)

    Hilst, G. R.

    1973-01-01

    Following the recent discussions by O'Brien (1971) and Donaldson and Hilst (1972) of the effects of inhomogeneous mixing and turbulent diffusion on simple chemical reaction rates, the present report provides a more extensive analysis of when inhomogeneous mixing has a significant effect on chemical reaction rates. The analysis is then extended to the development of an approximate chemical sub-model which provides much improved predictions of chemical reaction rates over a wide range of inhomogeneities and pathological distributions of the concentrations of the reacting chemical species. In particular, the development of an approximate representation of the third-order correlations of the joint concentration fluctuations permits closure of the chemical sub-model at the level of the second-order moments of these fluctuations and the mean concentrations.

  13. MIXTURES OF THYROID DISRUPTING CHEMICALS: TESTING ADDITIVITY OF HEPATIC INDUCERS AND THYROID PEROXIDASE INHIBITORS.

    Science.gov (United States)

    Humans are exposed to chemical mixtures via diet, occupation, and the environment. Previous data demonstrated that low doses of polycyclic halogenated aromatic hydrocarbons (PHAHs) acting through similar mechanisms result in an additive reduction of thyroxine (T4). If xenobioti...

  14. Proceedings:

    Energy Technology Data Exchange (ETDEWEB)

    Sidhu, S.S. (comp.)

    1987-12-01

    With increasingly stringent requirements on the performance of accelerators and storage rings, there is a wide interest in modeling-based control. The organizers recognized the need to have an overview and discussion on the current status of modeling-based accelerator control and how advances in computer technology, software engineering, and expert systems can impact control and diagnosis. As a result, a workshop was organized at the Brookhaven National Laboratory on August 17-18, 1987. It was made possible by the joint support of the AGS, NSLS and Applied Mathematics Departments of BNL. The talks and discussions were divided into three main topics: elements of modeling, knowledge representation, and integration of modeling-based control systems with AI and workstations. This volume is the unedited collection of papers, presented at the Workshop. Separate abstracts were prepared for 10 papers in these proceedings.

  15. Chemical equilibrium in high pressure molecular fluid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, M.S.

    1993-09-01

    The N{sub atoms}PT Monte Carlo simulation method has been reformulated to incorporate multiple species and chemical reactions with changes in total number of molecules. While maintaining a constant number of each type of atom, the number of molecules is changed by turning on and off the interactions of any particular position with other molecules. Chemical reactions are allowed as a correlated move of atoms to differnt molecular locations. Equilibrium chemical composition is determined as an average over the simulation along with equation of state quantities. A large set of simulations has been made with the system N{sub 2} + O{sub 2} {rightleftharpoons} NO covering a wide range in P and T. Both Hugoniot states and the CJ point have been determined and are shown to be sensitive to the potentials between unlike species.

  16. Perfluorononanoic acid in combination with 14 chemicals exerts low-dose mixture effects in rats

    DEFF Research Database (Denmark)

    Hadrup, Niels; Pedersen, Mikael; Skov, Kasper;

    2016-01-01

    Humans are simultaneously exposed to several chemicals that act jointly to induce mixture effects. At doses close to or higher than no-observed adverse effect levels, chemicals usually act additively in experimental studies. However, we are lacking knowledge on the importance of exposure to compl...

  17. 40 CFR 370.14 - How do I report mixtures containing hazardous chemicals?

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 27 2010-07-01 2010-07-01 false How do I report mixtures containing hazardous chemicals? 370.14 Section 370.14 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SUPERFUND, EMERGENCY PLANNING, AND COMMUNITY RIGHT-TO-KNOW PROGRAMS HAZARDOUS CHEMICAL REPORTING: COMMUNITY RIGHT-TO-KNOW Who Must Comply...

  18. A generalized physiologically-based toxicokinetic modeling system for chemical mixtures containing metals

    Directory of Open Access Journals (Sweden)

    Isukapalli Sastry S

    2010-06-01

    Full Text Available Abstract Background Humans are routinely and concurrently exposed to multiple toxic chemicals, including various metals and organics, often at levels that can cause adverse and potentially synergistic effects. However, toxicokinetic modeling studies of exposures to these chemicals are typically performed on a single chemical basis. Furthermore, the attributes of available models for individual chemicals are commonly estimated specifically for the compound studied. As a result, the available models usually have parameters and even structures that are not consistent or compatible across the range of chemicals of concern. This fact precludes the systematic consideration of synergistic effects, and may also lead to inconsistencies in calculations of co-occurring exposures and corresponding risks. There is a need, therefore, for a consistent modeling framework that would allow the systematic study of cumulative risks from complex mixtures of contaminants. Methods A Generalized Toxicokinetic Modeling system for Mixtures (GTMM was developed and evaluated with case studies. The GTMM is physiologically-based and uses a consistent, chemical-independent physiological description for integrating widely varying toxicokinetic models. It is modular and can be directly "mapped" to individual toxicokinetic models, while maintaining physiological consistency across different chemicals. Interaction effects of complex mixtures can be directly incorporated into the GTMM. Conclusions The application of GTMM to different individual metals and metal compounds showed that it explains available observational data as well as replicates the results from models that have been optimized for individual chemicals. The GTMM also made it feasible to model toxicokinetics of complex, interacting mixtures of multiple metals and nonmetals in humans, based on available literature information. The GTMM provides a central component in the development of a "source

  19. Chemical constituents of marijuana: the complex mixture of natural cannabinoids.

    Science.gov (United States)

    Elsohly, Mahmoud A; Slade, Desmond

    2005-12-22

    The cannabis plant (Cannabis sativa L.) and products thereof (such as marijuana, hashish and hash oil) have a long history of use both as a medicinal agent and intoxicant. Over the last few years there have been an active debate regarding the medicinal aspects of cannabis. Currently cannabis products are classified as Schedule I drugs under the Drug Enforcement Administration (DEA) Controlled Substances act, which means that the drug is only available for human use as an investigational drug. In addition to the social aspects of the use of the drug and its abuse potential, the issue of approving it as a medicine is further complicated by the complexity of the chemical make up of the plant. This manuscript discusses the chemical constituents of the plant with particular emphasis on the cannabinoids as the class of compounds responsible for the drug's psychological properties.

  20. Overview of human health and chemical mixtures: problems facing developing countries.

    Science.gov (United States)

    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

  1. Perinatal exposure to mixtures of anti-androgenic chemicals causes proliferative lesions in rat prostate

    DEFF Research Database (Denmark)

    Boberg, Julie; Johansson, Hanna Katarina Lilith; Hadrup, Niels

    2015-01-01

    BACKGROUND: Elevated levels of endogenous or exogenous estrogens during fetal life can induce permanent disturbances in prostate growth and predispose to precancerous lesions. Recent studies have indicated that also early anti-androgen exposure may affect prostate cancer risk. METHODS: We examined...... disrupters relevant for human exposure was found to elicit persistent effects on the rat prostate following perinatal exposure, suggesting that human perinatal exposure to environmental chemicals may increase the risk of prostate cancer later in life. Prostate....... the influence of perinatal exposure to mixtures of anti-androgenic and estrogenic chemicals on prostate development. Wistar rats were exposed from gestation day 7 to postnatal day 22 to a mixture of 8 anti-androgenic compounds (AAMix), a mixture of four estrogenic compounds (EMix), or paracetamol or a mixture...

  2. Study of sensory diversity and redundancy to encode for chemical mixtures

    Science.gov (United States)

    Gutiérrez-Gálvez, Agustín; Fernandez, Luis; Marco, Santiago

    2011-09-01

    Inspired by sensory diversity and redundancy at the olfactory epithelium, we have built a large chemical sensor array based on commercial MOX sensors. Different sensor families along with temperature modulation accounts for sensory diversity, whereas sensors of the same family combined with different load resistors provide redundancy to the system. To study the encoding of odor mixtures, a data collection consisting on the response of the array to 3 binary mixtures of ethanol, acetone, and butanone with 18 different concentration ratios is obtained.

  3. Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research

    Energy Technology Data Exchange (ETDEWEB)

    Riley, R.G.; Zachara, J.M. [Pacific Northwest Lab., Richland, WA (United States)

    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.

  4. Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research

    Energy Technology Data Exchange (ETDEWEB)

    Riley, R.G.; Zachara, J.M. (Pacific Northwest Lab., Richland, WA (United States))

    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.

  5. Mixtures of environmentally relevant endocrine disrupting chemicals affect mammary gland development in female and male rats.

    Science.gov (United States)

    Mandrup, Karen Riiber; Johansson, Hanna Katarina Lilith; Boberg, Julie; Pedersen, Anne Stilling; Mortensen, Mette Sidsel; Jørgensen, Jennifer Solgaard; Vinggaard, Anne Marie; Hass, Ulla

    2015-07-01

    Estrogenic chemicals are able to alter mammary gland development in female rodents, but little is known on the effects of anti-androgens and mixtures of endocrine disrupting chemicals (EDCs) with dissimilar modes of action. Pregnant rat dams were exposed during gestation and lactation to mixtures of environmentally relevant EDCs with estrogenic, anti-androgenic or dissimilar modes of action (TotalMix) of 100-, 200- or 450-fold high end human intake estimates. Mammary glands of prepubertal and adult female and male offspring were examined. Oestrogens increased mammary outgrowth in prepubertal females and the mRNA level of matrix metalloproteinase-3, which may be a potential biomarker for increased outgrowth. Mixtures of EDCs gave rise to ductal hyperplasia in adult males. Adult female mammary glands of the TotalMix group showed morphological changes possibly reflecting increased prolactin levels. In conclusion both estrogenic and anti-androgenic chemicals given during foetal life and lactation affected mammary glands in the offspring.

  6. Steam chemistry - interaction of chemical species with water, steam, and materials during evaporation, superheating, and condensation. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-07-01

    Topics of this proceedings are: steam chemistry, supercritical water, effects of chemicals in steam (acetic acid, formic acid, phosphoric acid or other impurities); solubility and deposition, condensation processes and effect of impurities; nucleation; gas-liquid interfaces; steam treatment. (SR)

  7. Should the scope of human mixture risk assessment span legislative/regulatory silos for chemicals?

    Science.gov (United States)

    Evans, Richard M; Martin, Olwenn V; Faust, Michael; Kortenkamp, Andreas

    2016-02-01

    Current chemicals regulation operates almost exclusively on a chemical-by-chemical basis, however there is concern that this approach may not be sufficiently protective if two or more chemicals have the same toxic effect. Humans are indisputably exposed to more than one chemical at a time, for example to the multiple chemicals found in food, air and drinking water, and in household and consumer products, and in cosmetics. Assessment of cumulative risk to human health and/or the environment from multiple chemicals and routes can be done in a mixture risk assessment (MRA). Whilst there is a broad consensus on the basic science of mixture toxicology, the path to regulatory implementation of MRA within chemical risk assessment is less clear. In this discussion piece we pose an open question: should the scope of human MRA cross legislative remits or 'silos'? We define silos as, for instance, legislation that defines risk assessment practice for a subset of chemicals, usually on the basis of substance/product, media or process orientation. Currently any form of legal mandate for human MRA in the EU is limited to only a few pieces of legislation. We describe two lines of evidence, illustrated with selected examples, that are particularly pertinent to this question: 1) evidence that mixture effects have been shown for chemicals regulated in different silos and 2) evidence that humans are co-exposed to chemicals from different silos. We substantiate the position that, because there is no reason why chemicals allocated to specific regulatory silos would have non-overlapping risk profiles, then there is also no reason to expect that MRA limited only to chemicals within one silo can fully capture the risk that may be present to human consumers. Finally, we discuss possible options for implementation of MRA and we hope to prompt wider discussion of this issue.

  8. 40 CFR 799.5000 - Testing consent orders for substances and mixtures with Chemical Abstract Service Registry Numbers.

    Science.gov (United States)

    2010-07-01

    ... and mixtures with Chemical Abstract Service Registry Numbers. 799.5000 Section 799.5000 Protection of... Testing consent orders for substances and mixtures with Chemical Abstract Service Registry Numbers. This... adopted under 40 CFR part 790. Listed below in Chemical Abstract Service (CAS) Registry Number order...

  9. Insights into synergistic interactions in binary mixtures of chemical permeation enhancers for transdermal drug delivery.

    Science.gov (United States)

    Karande, Pankaj; Jain, Amit; Mitragotri, Samir

    2006-09-28

    Chemical permeation enhancers (CPEs) are known to increase skin permeability to therapeutic drugs. Single chemicals, however, offer limited enhancements of skin permeability. Mixtures of chemicals can overcome this limitation owing to their synergistic interactions. However, identification of potent mixtures of chemicals requires screening of a large number of formulations. Discovery of CPE mixtures can be significantly accelerated by identifying patterns that occur in the existing data on CPEs. In this study, we systematically mine through a huge database on skin permeabilizing effect of over 4000 binary formulations generated by high throughput screening and extract general principles that govern the effect of binary combinations of chemicals on skin's barrier properties. Potencies and synergies of these formulations are analyzed to identify the role played by the formulation composition and chemistry. The analysis reveals several intuitive but some largely non-intuitive trends. For example, formulations made from enhancer mixtures are most potent when participating moieties are present in nearly equal fractions. Methyl pyrrolidone, a small molecule, is particularly effective in forming potent and synergistic enhancer formulations, and zwitterionic surfactants are more likely to feature in potent enhancers. Simple but invaluable rules like these will provide guiding principles for designing libraries to further speed up the formulation discovery process.

  10. Disentangling the developmental and neurobehavioural effects of perinatal exposure to a chemical mixture found in blood of Arctic populations: differential toxicity of mixture components

    Energy Technology Data Exchange (ETDEWEB)

    Bowers, W.; Nakai, J.; Yagminas, A.; Chu, I.; Moir, D. [Health Canada (Canada)

    2004-09-15

    The current study was designed to evaluate the neurobehavioral effects of perinatal exposure to a chemical mixture that is based on relative concentrations of persistent organic pollutants found in the blood of Canadian Arctic populations and contains 14 PCB congeners, 12 organochlorine pesticides and methyl mercury. This study compared the effects of the complete mixture with the effects of three major components of the mixture (the PCB component, the organochlorine pesticide component, and the methyl mercury component). By examining a range of neurobehavioural functions over development we also determine if specific neurobehavioural disturbances produced by the mixture can be attributed to components of the mixture and if neurobehavioural effects produced by components of the mixture are altered by concurrent exposure to other components in the mixture. Ninety-two nulliparious female Sprague-Dawley rats served as subjects.

  11. Reacting gas mixtures in the state-to-state approach: The chemical reaction rates

    Energy Technology Data Exchange (ETDEWEB)

    Kustova, Elena V. [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr., 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M. [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)

    2014-12-09

    In this work chemically reacting mixtures of viscous flows are analyzed within the framework of Boltzmann equation. By applying a modified Chapman-Enskog method to the system of Boltzmann equations general expressions for the rates of chemical reactions and vibrational energy transitions are determined as functions of two thermodynamic forces: the velocity divergence and the affinity. As an application chemically reacting mixtures of N{sub 2} across a shock wave are studied, where the first lowest vibrational states are taken into account. Here we consider only the contributions from the first four single quantum vibrational-translational energy transitions. It is shown that the contribution to the chemical reaction rate related to the affinity is much larger than that of the velocity divergence.

  12. Reacting gas mixtures in the state-to-state approach: The chemical reaction rates

    Science.gov (United States)

    Kustova, Elena V.; Kremer, Gilberto M.

    2014-12-01

    In this work chemically reacting mixtures of viscous flows are analyzed within the framework of Boltzmann equation. By applying a modified Chapman-Enskog method to the system of Boltzmann equations general expressions for the rates of chemical reactions and vibrational energy transitions are determined as functions of two thermodynamic forces: the velocity divergence and the affinity. As an application chemically reacting mixtures of N2 across a shock wave are studied, where the first lowest vibrational states are taken into account. Here we consider only the contributions from the first four single quantum vibrational-translational energy transitions. It is shown that the contribution to the chemical reaction rate related to the affinity is much larger than that of the velocity divergence.

  13. Chemical mixture toxicology: from descriptive to mechanistic, and going on to in silico toxicology.

    Science.gov (United States)

    Yang, Raymond S H; El-Masri, Hisham A; Thomas, Russell S; Dobrev, Ivan D; Dennison, James E; Bae, Dong-Soon; Campain, Julie A; Liao, Kai H; Reisfeld, Brad; Andersen, Melvin E; Mumtaz, Moiz

    2004-11-01

    Because of the pioneering vision of certain leaders in the biomedical field, the last two decades witnessed rapid advances in the area of chemical mixture toxicology. Earlier studies utilized conventional toxicology protocol and methods, and they were mainly descriptive in nature. Two good examples might be the parallel series of studies conducted by the U.S. National Toxicology Program and TNO in The Netherlands, respectively. As a natural course of progression, more and more sophistication was incorporated into the toxicology studies of chemical mixtures. Thus, at least the following seven areas of scientific achievements in chemical mixture toxicology are evident in the literature: (a) the application of better and more robust statistical methods; (b) the exploration and incorporation of mechanistic bases for toxicological interactions; (c) the application of physiologically based pharmacokinetic/pharmacodynamic (PBPK/PD) modeling; (d) the studies on more complex chemical mixtures; (e) the use of science-based risk assessment approaches; (f) the utilization of functional genomics; and (g) the application of technology. Examples are given for the discussion of each of these areas. Two important concepts emerged from these studies and they are: (1) dose-dependent toxicologic interactions; and (2) "interaction thresholds". Looking into the future, one of the most challenging areas in chemical mixture research is finding the answer to the question "when one tries to characterize the health effects of chemical mixtures, how does one deal with the infinite number of combination of chemicals, and other possible stressors?" Undoubtedly, there will be many answers from different groups of researchers. Our answer, however, is first to focus on the finite (biological processes) rather than the infinite (combinations of chemical mixtures and multiple stressors). The idea is that once we know a normal biological process(es), all stimuli and insults from external stressors

  14. On the formation of new ignition kernels in the chemically active dispersed mixtures

    Science.gov (United States)

    Ivanov, M. F.; Kiverin, A. D.

    2015-11-01

    The specific features of the combustion waves propagating through the channels filled with chemically active gaseous mixture and non-uniformly suspended micro particles are studied numerically. It is shown that the heat radiated by the hot products, absorbed by the micro particles and then transferred to the environmental fresh mixture can be the source of new ignition kernels in the regions of particles' clusters. Herewith the spatial distribution of the particles determines the features of combustion regimes arising in these kernels. One can highlight the multi-kernel ignition in the polydisperse mixtures and ignition of the combustion regimes with shocks and detonation formation in the mixtures with pronounced gradients of microparticles concentration.

  15. Additive mixture effects of estrogenic chemicals in human cell-based assays can be influenced by inclusion of chemicals with differing effect profiles.

    Directory of Open Access Journals (Sweden)

    Richard Mark Evans

    Full Text Available A growing body of experimental evidence indicates that the in vitro effects of mixtures of estrogenic chemicals can be well predicted from the estrogenicity of their components by the concentration addition (CA concept. However, some studies have observed small deviations from CA. Factors affecting the presence or observation of deviations could include: the type of chemical tested; number of mixture components; mixture design; and assay choice. We designed mixture experiments that address these factors, using mixtures with high numbers of components, chemicals from diverse chemical groups, assays with different in vitro endpoints and different mixture designs and ratios. Firstly, the effects of mixtures composed of up to 17 estrogenic chemicals were examined using estrogenicity assays with reporter-gene (ERLUX and cell proliferation (ESCREEN endpoints. Two mixture designs were used: 1 a 'balanced' design with components present in proportion to a common effect concentration (e.g. an EC(10 and 2 a 'non-balanced' design with components in proportion to potential human tissue concentrations. Secondly, the individual and simultaneous ability of 16 potential modulator chemicals (each with minimal estrogenicity to influence the assay outcome produced by a reference mixture of estrogenic chemicals was examined. Test chemicals included plasticizers, phthalates, metals, PCBs, phytoestrogens, PAHs, heterocyclic amines, antioxidants, UV filters, musks, PBDEs and parabens. In all the scenarios tested, the CA concept provided a good prediction of mixture effects. Modulation studies revealed that chemicals possessing minimal estrogenicity themselves could reduce (negatively modulate the effect of a mixture of estrogenic chemicals. Whether the type of modulation we observed occurs in practice most likely depends on the chemical concentrations involved, and better information is required on likely human tissue concentrations of estrogens and of potential

  16. AGONISTIC SENSORY EFFECTS OF AIRBORNE CHEMICALS IN MIXTURES: ODOR, NASAL PUNGENCY, AND EYE IRRITATION

    Science.gov (United States)

    Threshold responses of odor, nasal pungency (irritation), and eye irritation were measured for single chemicals (1-propanol, 1-hexanol, ethyl acetate, heptyl acetate, 2-pentanone, 2-heptanone, toluene, ethyl benzene, and propyl benzene) and mixtures of them (two three-component m...

  17. Spectral analysis of the light scattered from a chemically relaxing fluid: A ternary mixture

    NARCIS (Netherlands)

    Carle, D.L.; Laidlaw, W.G.; Lekkerkerker, H.N.W.

    1974-01-01

    The spectral distribution of light scattered by a ternary fluid mixture containing two chemically reactive species and one nonreactive species is considered and a normal mode analysis is carried out for a range of k-values for which the pressure fluctuations are decoupled from those in entropy and c

  18. Enhancing the chemical mixture methodology in emergency preparedness and consequence assessment analysis.

    Science.gov (United States)

    Yu, Xiao-Ying; Glantz, Clifford S; Yao, Juan; He, Hua; Petrocchi, Achille J; Craig, Douglas K; Ciolek, John T; Booth, Alexander E

    2013-11-16

    Emergency preparedness personnel at U.S. Department of Energy (DOE) facilities use the chemical mixture methodology (CMM) to estimate the potential health impacts to workers and the public from the unintended airborne release of chemical mixtures. The CMM uses a Hazard Index (HI) for each chemical in a mixture to compare a chemical's concentration at a receptor location to an appropriate concentration limit for that chemical. This limit is typically based on Protection Action Criteria (PAC) values developed and published by the DOE. As a first cut, the CMM sums the HIs for all the chemicals in a mixture to conservatively estimate their combined health impact. A cumulative HI>1.0 represents a concentration exceeding the concentration limit and indicates the potential for adverse health effects. Next, Health Code Numbers (HCNs) are used to identify the target organ systems that may be impacted by exposure to each chemical in a mixture. The sum of the HIs for the maximally impacted target organ system is used to provide a refined, though still conservative, estimate of the potential for adverse health effects from exposure to the chemical mixture. This paper explores approaches to enhance the effectiveness of the CMM by using HCN weighting factors. A series of 24 case studies have been defined to evaluate both the existing CMM and three new approaches for improving the CMM. The first approach uses a set of HCN weighting factors that are applied based on the priority ranking of the HCNs for each chemical. The second approach uses weighting factors based on the priority rankings of the HCNs established for a given type of concentration limit. The third approach uses weighting factors that are based on the exposure route used to derive PAC values and a priority ranking of the HCNs (the same ranking as used in the second approach). Initial testing indicates that applying weighting factors increases the effectiveness of the CMM in general, though care must be taken to

  19. From single chemicals to mixtures--reproductive effects of levonorgestrel and ethinylestradiol on the fathead minnow.

    Science.gov (United States)

    Runnalls, Tamsin J; Beresford, Nicola; Kugathas, Subramaniam; Margiotta-Casaluci, Luigi; Scholze, Martin; Scott, Alexander P; Sumpter, John P

    2015-12-01

    The aquatic environment is polluted with thousands of chemicals. It is currently unclear which of these pose a significant threat to aquatic biota. The typical exposure scenario is now represented by a widespread blanket of contamination composed of myriads of individual pollutants-each typically present at a low concentration. The synthetic steroids, 17α-ethinylestradiol and levonorgestrel, have been widely reported to be present in the aquatic environment in the low ng to sub-ng/l range. They are widely used in contraceptive formulations, both individually and in combination. Our research employed the fathead minnow (Pimephales promelas) 21 day 'pair-breeding' assay to assess reproductive output when pairs of fish were exposed to the single chemicals at low environmentally relevant concentrations, and then to a binary mixture of them. A variety of endpoints were assessed, including egg production, which was inhibited in a concentration-dependent manner by both the individual chemicals and the mixture. Significant, sex specific effects were also seen with both chemicals, at differing levels of biological organisation. Plasma concentrations of EE2 and levonorgestrel were predicted and in the case of levonorgestrel measured, and compared with the human therapeutic plasma concentrations (Read-Across approach) to support the interpretation of the results. A novel quantitative method was developed for the data analysis, which ensured a suitable endpoint for the comparative mixture assessment. This approach compares the reproductive performance from individual pairs of fish during chemical exposure to its pre-treatment performance. The responses from the empirical mixture study were compared to predictions derived from the single substance data. We hypothesised combined responses which were best described by the concept of concentration addition, and found no clear indications against this additivity expectation. However, the effect profiles support the current

  20. Toxicogenomic responses in rainbow trout (Oncorhynchus mykiss) hepatocytes exposed to model chemicals and a synthetic mixture

    Energy Technology Data Exchange (ETDEWEB)

    Finne, E.F. [Norwegian Institute for Water Research, Gaustadalleen 21, N-0349 Oslo (Norway) and University of Oslo, Department of Biology, P.O. Box 1066, Blindern, N-0316 Oslo (Norway)]. E-mail: eivind.finne@niva.no; Cooper, G.A. [Centre for Biomedical Research, University of Victoria, BC V8P5C2 (Canada); Koop, B.F. [Centre for Biomedical Research, University of Victoria, BC V8P5C2 (Canada); Hylland, K. [Norwegian Institute for Water Research, Gaustadalleen 21, N-0349 Oslo (Norway); University of Oslo, Department of Biology, P.O. Box 1066, Blindern, N-0316 Oslo (Norway); Tollefsen, K.E. [Norwegian Institute for Water Research, Gaustadalleen 21, N-0349 Oslo (Norway)

    2007-03-10

    As more salmon gene expression data has become available, the cDNA microarray platform has emerged as an appealing alternative in ecotoxicological screening of single chemicals and environmental samples relevant to the aquatic environment. This study was performed to validate biomarker gene responses of in vitro cultured rainbow trout (Oncorhynchus mykiss) hepatocytes exposed to model chemicals, and to investigate effects of mixture toxicity in a synthetic mixture. Chemicals used for 24 h single chemical- and mixture exposures were 10 nM 17{alpha}-ethinylestradiol (EE2), 0.75 nM 2,3,7,8-tetrachloro-di-benzodioxin (TCDD), 100 {mu}M paraquat (PQ) and 0.75 {mu}M 4-nitroquinoline-1-oxide (NQO). RNA was isolated from exposed cells, DNAse treated and quality controlled before cDNA synthesis, fluorescent labelling and hybridisation to a 16k salmonid microarray. The salmonid 16k cDNA array identified differential gene expression predictive of exposure, which could be verified by quantitative real time PCR. More precisely, the responses of biomarker genes such as cytochrome p4501A and UDP-glucuronosyl transferase to TCDD exposure, glutathione reductase and gammaglutamyl cysteine synthetase to paraquat exposure, as well as vitellogenin and vitelline envelope protein to EE2 exposure validated the use of microarray applied to RNA extracted from in vitro exposed hepatocytes. The mutagenic compound NQO did not result in any change in gene expression. Results from exposure to a synthetic mixture of the same four chemicals, using identical concentrations as for single chemical exposures, revealed combined effects that were not predicted by results for individual chemicals alone. In general, the response of exposure to this mixture led to an average loss of approximately 60% of the transcriptomic signature found for single chemical exposure. The present findings show that microarray analyses may contribute to our mechanistic understanding of single contaminant mode of action as

  1. Enhancing the Benefit of the Chemical Mixture Methodology: A Report on Methodology Testing and Potential Approaches for Improving Performance

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Xiao-Ying; Yao, Juan; He, Hua; Glantz, Clifford S.; Booth, Alexander E.

    2012-01-01

    Extensive testing shows that the current version of the Chemical Mixture Methodology (CMM) is meeting its intended mission to provide conservative estimates of the health effects from exposure to airborne chemical mixtures. However, the current version of the CMM could benefit from several enhancements that are designed to improve its application of Health Code Numbers (HCNs) and employ weighting factors to reduce over conservatism.

  2. Adaptive stress response pathways induced by environmental mixtures of bioaccumulative chemicals in dugongs.

    Science.gov (United States)

    Jin, Ling; Gaus, Caroline; Escher, Beate I

    2015-06-02

    To address the poorly understood mixture effects of chemicals in the marine mammal dugong, we coupled equilibrium-based passive sampling in blubber to a range of in vitro bioassays for screening mixtures of bioaccumulative chemicals. The modes of action included early effect indicators along important toxicity pathways, such as induction of xenobiotic metabolism, and some integrative indicators downstream of the molecular initiating event, such as adaptive stress responses. Activation of aryl hydrocarbon receptor (AhR) and Nrf2-mediated oxidative stress response were found to be the most prominent effects, while the p53-mediated DNA damage response and NF-κB-mediated response to inflammation were not significantly affected. Although polychlorinated dibenzo-p-dioxins (PCDDs) quantified in the samples accounted for the majority of AhR-mediated activity, PCDDs explained less than 5% of the total oxidative stress response, despite their known ability to activate this pathway. Altered oxidative stress response was observed with both individual chemicals and blubber extracts subject to metabolic activation by rat liver S9 fraction. Metabolic activation resulted in both enhanced and reduced toxicity, suggesting the relevance and utility of incorporating metabolic enzymes into in vitro bioassays. Our approach provides a first insight into the burden of toxicologically relevant bioaccumulative chemical mixtures in dugongs and can be applied to lipid tissue of other wildlife species.

  3. Chemical mixtures and environmental effects: a pilot study to assess ecological exposure and effects in streams

    Science.gov (United States)

    Buxton, Herbert T.; Reilly, Timothy J.; Kuivila, Kathryn M.; Kolpin, Dana W.; Bradley, Paul M.; Villeneuve, Daniel L.; Mills, Marc A.

    2015-01-01

    Assessment and management of the risks of exposure to complex chemical mixtures in streams are priorities for human and environmental health organizations around the world. The current lack of information on the composition and variability of environmental mixtures and a limited understanding of their combined effects are fundamental obstacles to timely identification and prevention of adverse human and ecological effects of exposure. This report describes the design of a field-based study of the composition and biological activity of chemical mixtures in U.S. stream waters affected by a wide range of human activities and contaminant sources. The study is a collaborative effort by the U.S. Geological Survey and the U.S. Environmental Protection Agency. Scientists sampled 38 streams spanning 24 States and Puerto Rico. Thirty-four of the sites were located in watersheds impacted by multiple contaminant sources, including industrial and municipal wastewater discharges, crop and animal agricultural runoff, urban runoff, and other point and nonpoint contaminant sources. The remaining four sites were minimally development reference watersheds. All samples underwent comprehensive chemical and biological characterization, including sensitive and specific direct analysis for over 700 dissolved organic and inorganic chemicals and field parameters, identification of unknown contaminants (environmental diagnostics), and a variety of bioassays to evaluate biological activity and toxicity.

  4. Quantification of chemical mixture interactions modulating dermal absorption using a multiple membrane fiber array.

    Science.gov (United States)

    Baynes, Ronald E; Xia, Xin Rui; Imran, Mudassar; Riviere, Jim E

    2008-03-01

    Dermal exposures to chemical mixtures can potentially increase or decrease systemic bioavailability of toxicants in the mixture. Changes in dermal permeability can be attributed to changes in physicochemical interactions between the mixture, the skin, and the solute of interest. These physicochemical interactions can be described as changes in system coefficients associated with molecular descriptors described by Abraham's linear solvation energy relationship (LSER). This study evaluated the effects of chemical mixtures containing either a solvent (ethanol) or a surfactant (sodium lauryl sulfate, SLS) on solute permeability and partitioning by quantifying changes in system coefficients in skin and a three-membrane-coated fiber (MCF) system, respectively. Regression analysis demonstrated that changes in system coefficients in skin were strongly correlated ( R2 = 0.89-0.98) to changes in system coefficients in the three-membrane MCF array with mixtures containing either 1% SLS or 50% ethanol. The PDMS fiber appeared to play a significant role (R2 = 0.84-0.85) in the MCF array in predicting changes in solute permeability, while the WAX fiber appeared to contribute less (R2 = 0.59-0.77) to the array than the other two fibers. On the basis of changes in system coefficients that are part of a LSER, these experiments were able to link physicochemical interactions in the MCF with those interactions in skin when either system is exposed to 1% SLS or 50% ethanol. These experiments further demonstrated the utility of a MCF array to adequately predict changes in dermal permeability when skin is exposed to mixtures containing either a surfactant or a solvent and provide some insight into the nature of the physiochemical interactions that modulate dermal absorptions.

  5. Gene expression profiles in rainbow trout, Onchorynchus mykiss, exposed to a simple chemical mixture.

    Science.gov (United States)

    Hook, Sharon E; Skillman, Ann D; Gopalan, Banu; Small, Jack A; Schultz, Irvin R

    2008-03-01

    Among proposed uses for microarrays in environmental toxiciology is the identification of key contributors to toxicity within a mixture. However, it remains uncertain whether the transcriptomic profiles resulting from exposure to a mixture have patterns of altered gene expression that contain identifiable contributions from each toxicant component. We exposed isogenic rainbow trout Onchorynchus mykiss, to sublethal levels of ethynylestradiol, 2,2,4,4-tetrabromodiphenyl ether, and chromium VI or to a mixture of all three toxicants Fluorescently labeled complementary DNA (cDNA) were generated and hybridized against a commercially available Salmonid array spotted with 16,000 cDNAs. Data were analyzed using analysis of variance (p<0.05) with a Benjamani-Hochberg multiple test correction (Genespring [Agilent] software package) to identify up and downregulated genes. Gene clustering patterns that can be used as "expression signatures" were determined using hierarchical cluster analysis. The gene ontology terms associated with significantly altered genes were also used to identify functional groups that were associated with toxicant exposure. Cross-ontological analytics approach was used to assign functional annotations to genes with "unknown" function. Our analysis indicates that transcriptomic profiles resulting from the mixture exposure resemble those of the individual contaminant exposures, but are not a simple additive list. However, patterns of altered genes representative of each component of the mixture are clearly discernible, and the functional classes of genes altered represent the individual components of the mixture. These findings indicate that the use of microarrays to identify transcriptomic profiles may aid in the identification of key stressors within a chemical mixture, ultimately improving environmental assessment.

  6. Toxicity of a hazardous chemical mixture in the planarian, Dugesia dorotocephala

    Energy Technology Data Exchange (ETDEWEB)

    Ramsdell, H.S.; Matthews, C.M. [Colorado State Univ., Ft. Collins, CO (United States)

    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. Viscous-shock-layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

    Science.gov (United States)

    Anderson, E. C.; Moss, J. N.

    1975-01-01

    The viscous-shock-layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially-symmetric flow fields. Solutions were obtained using an implicit finite-difference scheme and results are presented for hypersonic flow over spherically-blunted cone configurations at freestream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

  8. Viscous shock layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

    Science.gov (United States)

    Anderson, E. C.; Moss, J. N.

    1975-01-01

    The viscous shock layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially symmetric flow fields. Solutions are obtained using an implicit finite difference scheme and results are presented for hypersonic flow over spherically blunted cone configurations at free stream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

  9. p53 induction and cell viability modulation by genotoxic individual chemicals and mixtures.

    Science.gov (United States)

    Di Paolo, Carolina; Müller, Yvonne; Thalmann, Beat; Hollert, Henner; Seiler, Thomas-Benjamin

    2017-03-16

    The binding of the p53 tumor suppression protein to DNA response elements after genotoxic stress can be quantified by cell-based reporter gene assays as a DNA damage endpoint. Currently, bioassay evaluation of environmental samples requires further knowledge on p53 induction by chemical mixtures and on cytotoxicity interference with p53 induction analysis for proper interpretation of results. We investigated the effects of genotoxic pharmaceuticals (actinomycin D, cyclophosphamide) and nitroaromatic compounds (4-nitroquinoline 1-oxide, 3-nitrobenzanthrone) on p53 induction and cell viability using a reporter gene and a colorimetric assay, respectively. Individual exposures were conducted in the absence or presence of metabolic activation system, while binary and tertiary mixtures were tested in its absence only. Cell viability reduction tended to present direct correlation with p53 induction, and induction peaks occurred mainly at chemical concentrations causing cell viability below 80%. Mixtures presented in general good agreement between predicted and measured p53 induction factors at lower concentrations, while higher chemical concentrations gave lower values than expected. Cytotoxicity evaluation supported the selection of concentration ranges for the p53 assay and the interpretation of its results. The often used 80% viability threshold as a basis to select the maximum test concentration for cell-based assays was not adequate for p53 induction assessment. Instead, concentrations causing up to 50% cell viability reduction should be evaluated in order to identify the lowest observed effect concentration and peak values following meaningful p53 induction.

  10. Human toxicology of chemical mixtures toxic consequences beyond the impact of one-component product and environmental exposures

    CERN Document Server

    Zeliger, Harold I

    2011-01-01

    In this important reference work, Zeliger catalogs the known effects of chemical mixtures on the human body and also proposes a framework for understanding and predicting their actions in terms of lipophile (fat soluble)/hydrophile (water soluble) interactions. The author's focus is on illnesses that ensue following exposures to mixtures of chemicals that cannot be attributed to any one component of the mixture. In the first part the mechanisms of chemical absorption at a molecular and macromolecular level are explained, as well as the body's methods of defending itself against xenobiotic intrusion. Part II examines the sources of the chemicals discussed, looking at air and water pollution, food additives, pharmaceuticals, etc. Part III, which includes numerous case studies, examines specific effects of particular mixtures on particular body systems and organs and presents a theoretical framework for predicting what the effects of uncharacterized mixtures might be. Part IV covers regulatory requirements and t...

  11. The synergistic toxicity of the multiple chemical mixtures: implications for risk assessment in the terrestrial environment.

    Science.gov (United States)

    Chen, Chen; Wang, Yanhua; Qian, Yongzhong; Zhao, Xueping; Wang, Qiang

    2015-04-01

    The combined toxicity of five insecticides (chlorpyrifos, avermectin, imidacloprid, λ-cyhalothrin, and phoxim), two herbicides (atrazine and butachlor) and a heavy metal (cadmium) has been examined with the earthworm acute toxicity test. Toxicological interactions of these chemicals in four, five, six, seven, and eight-component mixtures were studied using the combination-index (CI) equation method. In four-component and five-component mixtures, the synergistic effects predominated at lower effect levels, while the patterns of interactions found in six, seven, and eight-component mixtures displayed synergism. The λ-CY+IMI+BUT+ATR+CPF+PHO combination displayed the most strongly synergistic interaction, with CI values ranging from 0.09 to 0.15. The nature of the interaction changes with the effect level and the relevance of synergistic effects increase with the complexity of the mixture. The CI method was compared with the classical models of concentration addition (CA) and independent action (IA) and we found that the CI method could accurately predict the combined toxicity. The predicted synergism resulted from co-existence of the pesticides and the heavy metal especially at low effect levels may have important implications in risk assessment for the real terrestrial environment.

  12. Cellular RNA is chemically modified by exposure to air pollution mixtures.

    Science.gov (United States)

    Baldridge, Kevin C; Zavala, Jose; Surratt, Jason; Sexton, Kenneth G; Contreras, Lydia M

    2015-01-01

    RNAs are more susceptible to modifications than DNA, and chemical modifications in RNA have an effect on their structure and function. This study aimed to characterize chemical effects on total RNA in human A549 lung cells after exposure to elevated levels of major secondary air pollutants commonly found in urban locations, including ozone (O3), acrolein (ACR) and methacrolein (MACR). Enzyme-linked immunosorbent assays (ELISA) were used to measure levels of interleukin (IL)-8 in the growth media and 8-oxoguanine (8OG) levels in total cellular RNA, and lactate dehydrogenase (LDH) in the growth media was measured by a coupled enzymatic assay. Quantitative real-time polymerase chain reaction (qRT-PCR) was used to measure levels of microRNA 10b (miR-10b). The study found that 1-h exposure to all tested pollutant mixtures consistently caused significant increases in the levels of 8OG in total RNA. In the case of 4 ppm O3 exposures, measured levels of IL-8, LDH and miR-10b each showed consistent trends between two independent trials, but varied among these three targets. After 1-h exposures to an ACR+MACR mixture, measured levels of IL-8, LDH and miR-10b showed variable results. For mixtures of O3+ACR+MACR, IL-8 measurements showed no change; miR-10b and LDH showed variable results. The results indicate that short-term high-concentration exposures to air pollution can cause RNA chemical modifications. Chemical modifications in RNAs could represent more consistent markers of cellular stress relative to other inflammation markers, such as IL-8 and LDH, and provide a new biomarker endpoint for mechanistic studies in toxicity of air pollution exposure.

  13. Summer 2012 Testing and Analysis of the Chemical Mixture Methodology -- Part I

    Energy Technology Data Exchange (ETDEWEB)

    Glantz, Clifford S.; Yu, Xiao-Ying; Coggin, Rebekah L.; Ponder, Lashaundra A.; Booth, Alexander E.; Petrocchi, Achille J.; Horn, Sarah M.; Yao, Juan

    2012-07-01

    This report presents the key findings made by the Chemical Mixture Methodology (CMM) project team during the first stage of their summer 2012 testing and analysis of the CMM. The study focused on answering the following questions: o What is the percentage of the chemicals in the CMM Rev 27 database associated with each Health Code Number (HCN)? How does this result influence the relative importance of acute HCNs and chronic HCNs in the CMM data set? o What is the benefit of using the HCN-based approach? Which Modes of Action and Target Organ Effects tend to be important in determining the HCN-based Hazard Index (HI) for a chemical mixture? o What are some of the potential issues associated with the current HCN-based approach? What are the opportunities for improving the performance and/or technical defensibility of the HCN-based approach? How would those improvements increase the benefit of using the HCN-based approach? o What is the Target Organ System Effect approach and how can it be used to improve upon the current HCN-based approach? How does the benefits users would derive from using the Target Organ System Approach compare to the benefits available from the current HCN-based approach?

  14. Proceedings of the frst joint american chemical society agricultural and food chemistry division – american chemical society international chemical sciences chapter in Thailand symposium on agricultural and food chemistry

    Science.gov (United States)

    This Proceedings is a compilation of papers from contributed oral and poster presentations presented at the first joint symposium organized by the American Chemical Society Agricultural and Food Chemistry Division and the American Chemical Society International Chemical Sciences Chapter in Thailand ...

  15. Chemical Oxidation of Complex PAH Mixtures by Base-activated Sodium Persulfate

    Science.gov (United States)

    Hauswirth, S.; Miller, C. T.

    2013-12-01

    In situ chemical oxidation (ISCO) is an attractive approach for the remediation of recalcitrant soil and groundwater contaminants. One oxidant that has received significant recent attention is sodium persulfate, which has several advantages, including a relatively long lifetime in porous media, the ability to destroy a wide-range of chemical contaminants, and a high oxidation potential. In this study, we investigated the chemical mechanisms associated with base-activated persulfate oxidation of polycyclic aromatic hydrocarbons (PAHs) and assessed the applicability of persulfate to the remediation of porous media contaminated with non-aqueous phase liquid (NAPL) PAH mixtures. Batch experiments were conducted to determine the oxidation kinetics for individual PAH compounds, synthetic PAH mixtures, and manufactured gas plant (MGP) tars. Additional experiments were conducted with added surfactants (Triton X-100, Triton X-45, and Tween 80) to increase PAH mass transfer from the NAPL to the aqueous phase, and with radical scavengers (ethanol and tert-butyl alcohol) to identify the reactive species responsible for degradation. Degradation of total PAHs in the NAPL experiments was as high as 70%. The addition of surfactant increased initial PAH degradation rates, but also greatly increased the rate of base consumption, thereby reducing the overall fraction degraded. The degradation of individual PAHs within the NAPLs varied significantly, with the masses of some compounds remaining largely unchanged. The results of the radical scavenger and single PAH experiments suggest that the observed pattern of degradation in PAH mixtures is the result of a combination of mass transfer considerations and competition for radical species.

  16. Application of the cubic-plus-association equation of state to mixtures with polar chemicals and high pressures

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht

    2006-01-01

    was given to low pressures and liquid-liquid equilibria. In this work, CPA is applied to two classes of mixtures containing polar chemicals for which high-pressure data are available: acetone-containing systems and dimethyl ether mixtures. They are of both scientific and industrial importance. Moreover, CPA...... is applied to high-pressure solid-liquid equilibria (SLE) for alcohol-alkane mixtures. In the case of acetone-hydrocarbon mixtures, satisfactory results are achieved if acetone is allowed to self-associate. Satisfactory high-pressure acetone-water vapor-liquid equilibrium (VLE) is obtained, comparable...

  17. Characterization of Dimethylsulfoxide / Glycerol Mixtures: A Binary Solvent System for the Study of "Friction-Dependent" Chemical Reactivity

    CERN Document Server

    Angulo, Gonzalo; Gerecke, Mario; Grampp, Günter; Jeannerat, Damien; Milkiewicz, Jadwiga; Mitrev, Yavor; Radzewicz, Czesław; Rosspeintner, Arnulf; Vauthey, Eric; Wnuk, Paweł

    2016-01-01

    The properties of binary mixtures of dimethylsulfoxide and glycerol, measured by several techniques, are reported. Special attention is given to those properties contributing or affecting chemical reactions. In this respect the investigated mixture behaves as a relatively simple solvent and it is especially well suited for studies on the influence of viscosity in chemical reactivity. This is due to the relative invariance of the dielectric properties of the mixture. However, special caution must be taken with specific solvation, as the hydrogen-bonding properties of the solvent changes with the molar fraction of glycerol.

  18. Review of the toxicity of chemical mixtures: Theory, policy, and regulatory practice.

    Science.gov (United States)

    McCarty, L S; Borgert, C J

    2006-07-01

    An analysis of current mixture theory, policy, and practice was conducted by examining standard reference texts, regulatory guidance documents, and journal articles. Although this literature contains useful theoretical concepts, clear definitions of most terminology, and well developed protocols for study design and statistical analysis, no general theoretical basis for the mechanisms and interactions of mixture toxicity could be discerned. There is also a poor understanding of the relationship between exposure-based and internal received dose metrics. This confounds data interpretation and limits reliable determinations of the nature and extent of additivity. The absence of any generally accepted classification scheme for either modes/mechanisms of toxic action or of mechanisms of toxicity interactions is problematic as it produces a cycle in which research and policy are interdependent and mutually limiting. Current regulatory guidance depends heavily on determination of toxicological similarity concluded from the presence of a few prominent constituents, assumed from a common toxicological effect, or presumed from an alleged similar toxic mode/mechanism. Additivity, or the lack of it, is largely based on extrapolation of existing knowledge for single chemicals in this context. Thus, regulatory risk assessment protocols lack authoritative theoretical underpinnings, creating substantial uncertainty. Development of comprehensive classification schemes for modes/mechanisms of toxic action and mechanisms of interaction is needed to ensure a sound theoretical foundation for mixture-related regulatory activity and provide a firm basis for iterative hypothesis development and experimental testing.

  19. Separation of americium and curium from complex chemical and radiochemical mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Bochkarev, V.A.; Martynov, N.P.; Slivin, V.G.; Trikanov, A.E.; Fedyaeva, N.V.

    1988-11-01

    This work describes a method for separation and radiochemical purification of nanogram levels of americium and curium from complex chemical and radiochemical mixtures containing tens of milligrams of elements such as aluminum, iron, magnesium, calcium, barium, titanium, potassium, and others, microgram levels of uranium, neptunium, and plutonium, and fission products. Extraction coefficients of americium and curium from these elements are measured. The separation from the macrocomponents was carried out by extraction of americium and curium with butyric acid in the presence of sulfosalicylic acid. Uranium, neptunium, and plutonium were separated from hydrochloric acid solutions, while the rare earth elements were separated from lithium chloride solutions using a column of anion exchange resin AV-17. Alpha measurements were carried out on americium and curium deposited electrolytically on tantalum cathodes. The chemical yield of americium and curium was identical of greater than or equal to 94%, separation time approx. 8 h.

  20. Chemical Discrimination in Turbulent Gas Mixtures with MOX Sensors Validated by Gas Chromatography-Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Jordi Fonollosa

    2014-10-01

    Full Text Available Chemical detection systems based on chemo-resistive sensors usually include a gas chamber to control the sample air flow and to minimize turbulence. However, such a kind of experimental setup does not reproduce the gas concentration fluctuations observed in natural environments and destroys the spatio-temporal information contained in gas plumes. Aiming at reproducing more realistic environments, we utilize a wind tunnel with two independent gas sources that get naturally mixed along a turbulent flow. For the first time, chemo-resistive gas sensors are exposed to dynamic gas mixtures generated with several concentration levels at the sources. Moreover, the ground truth of gas concentrations at the sensor location was estimated by means of gas chromatography-mass spectrometry. We used a support vector machine as a tool to show that chemo-resistive transduction can be utilized to reliably identify chemical components in dynamic turbulent mixtures, as long as sufficient gas concentration coverage is used. We show that in open sampling systems, training the classifiers only on high concentrations of gases produces less effective classification and that it is important to calibrate the classification method with data at low gas concentrations to achieve optimal performance.

  1. Chemical discrimination in turbulent gas mixtures with MOX sensors validated by gas chromatography-mass spectrometry.

    Science.gov (United States)

    Fonollosa, Jordi; Rodríguez-Luján, Irene; Trincavelli, Marco; Vergara, Alexander; Huerta, Ramón

    2014-10-16

    Chemical detection systems based on chemo-resistive sensors usually include a gas chamber to control the sample air flow and to minimize turbulence. However, such a kind of experimental setup does not reproduce the gas concentration fluctuations observed in natural environments and destroys the spatio-temporal information contained in gas plumes. Aiming at reproducing more realistic environments, we utilize a wind tunnel with two independent gas sources that get naturally mixed along a turbulent flow. For the first time, chemo-resistive gas sensors are exposed to dynamic gas mixtures generated with several concentration levels at the sources. Moreover, the ground truth of gas concentrations at the sensor location was estimated by means of gas chromatography-mass spectrometry. We used a support vector machine as a tool to show that chemo-resistive transduction can be utilized to reliably identify chemical components in dynamic turbulent mixtures, as long as sufficient gas concentration coverage is used. We show that in open sampling systems, training the classifiers only on high concentrations of gases produces less effective classification and that it is important to calibrate the classification method with data at low gas concentrations to achieve optimal performance.

  2. Allium-test as a tool for toxicity testing of environmental radioactive-chemical mixtures

    Science.gov (United States)

    Oudalova, A. A.; Geras’kin, S. A.; Dikareva, N. S.; Pyatkova, S. V.

    2017-01-01

    Bioassay-based approaches have been propagated to assess toxicity of unknown mixtures of environmental contaminants, but it was rarely applied in cases of chemicals with radionuclides combinations. Two Allium-test studies were performed to assess environmental impact from potential sources of combined radioactive-chemical pollution. Study sites were located at nuclear waste storage facilities in European and in Far-Eastern parts of Russia. As environmental media under impact, waters from monitor wells and nearby water bodies were tested. Concentrations of some chemicals and radionuclides in the samples collected enhanced the permitted limits. Cytogenetic and cytotoxic effects were used as biological endpoints, namely, frequency and spectrum of chromosome aberrations and mitotic abnormalities in anatelophase cells as well as mitotic activity in Allium root tips. Sample points were revealed where waters have an enhanced mutagenic potential. The findings obtained could be used to optimize monitoring system and advance decision making on management and rehabilitation of industrial sites. The Allium-test could be recommended and applied as an effective tool for toxicity testing in case of combined contamination of environmental compartments with radionuclides and chemical compounds.

  3. Conversion of Hazardous Motor Vehicle Used Tire and Polystyrene Waste Plastic Mixture into useful Chemical Products

    Directory of Open Access Journals (Sweden)

    Moinuddin Sarker

    2014-02-01

    Full Text Available Motor vehicle used tire and polystyrene waste plastic mixture into fuel recovery using thermal degradation process in laboratory batch process. Motor vehicle used tire and polystyrene waste plastic was use 75 gm by weight. Motor vehicle tire was 25 gm and polystyrene waste plastic was 50 gm. In presence of oxygen experiment was performed under laboratory fume hood. Thermal degradation temperature range was 100 - 420 oC and experiment run time was 5 hours. Product fuel density is 0.84 gm/ml and liquid fuel conversion rate was 54.93 %. Fuel was analysis by GC/MS and compounds are present aliphatic group, aromatic group, alcoholic group, oxygen content and nitrogen content.Fuel can use refinery process as a refinery feed.Keywords: Tire, polystyrene, conversion, chemical product, vehicle, hydrocarbon

  4. Quasi-chemical approach for adsorption of mixtures with non-additive lateral interactions

    Science.gov (United States)

    Pinto, O. A.; Pasinetti, P. M.; Ramirez-Pastor, A. J.

    2017-01-01

    The statistical thermodynamics of binary mixtures with non-additive lateral interactions was developed on a generalization in the spirit of the lattice-gas model and the classical quasi-chemical approximation (QCA). The traditional assumption of a strictly pairwise additive nearest-neighbors interaction is replaced by a more general one, namely that the bond linking a certain atom with any of its neighbors depends considerably on how many of them are actually present (or absent) on the sites in the first coordination shell of the atom. The total and partial adsorption isotherms are given for both attractive and repulsive lateral interactions between the adsorbed species. Interesting behaviors are observed and discussed in terms of the low-temperature phases formed in the system. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model.

  5. Chemical synthesis and characterization of highly soluble conducting polyaniline in the mixtures of common solvents

    Directory of Open Access Journals (Sweden)

    Zeghioud Hichem

    2015-01-01

    Full Text Available This work presents the synthesis and characterization of soluble and conducting polyaniline PANI-PIA according to chemical polymerization route. This polymerization pathway leads to the formation of poly(itaconic acid doped polyaniline salts, which are highly soluble in a number of mixtures between organic common polar solvents and water, the solubility reaches 4 mg mL-1. The effect of synthesis parameters such as doping level on the conductivity and the study of solubility and other properties of the resulting PANI salts were also undertaken. The maximum of conductivity was found equal to 2.48×10-4 S cm-1 for fully protonated PANI-EB. In addition, various characterizations of the synthesized materials were also done with the help of viscosity measurements, UV-vis spectroscopy, XRD, FTIR and finally TGA for the thermal properties behaviour.

  6. Ignition of a lean PRF/air mixture under RCCI/SCCI conditions: Chemical aspects

    KAUST Repository

    Luong, Minh Bau

    2016-10-10

    Chemical aspects of the ignition of a primary reference fuel (PRF)/air mixture under reactivity controlled compression ignition (RCCI) and stratified charge compression ignition (SCCI) conditions are investigated by analyzing two-dimensional direct numerical simulation (DNS) data with chemical explosive mode (CEM) analysis. CEMA is adopted to provide fundamental insights into the ignition process by identifying controlling species and elementary reactions at different locations and times. It is found that at the first ignition delay, low-temperature chemistry (LTC) represented by the isomerization of alkylperoxy radical, chain branching reactions of keto-hydroperoxide, and H-atom abstraction of n-heptane is predominant for both RCCI and SCCI combustion. In addition, explosion index and participation index analyses together with conditional means on temperature verify that low-temperature heat release (LTHR) from local mixtures with relatively-high n-heptane concentration occurs more intensively in RCCI combustion than in SCCI combustion, which ultimately advances the overall RCCI combustion and distributes its heat release rate over time. It is also found that at the onset of the main combustion, high-temperature heat release (HTHR) occurs primarily in thin deflagrations where temperature, CO, and OH are found to be the most important species for the combustion. The conversion reaction of CO to CO and hydrogen chemistry are identified as important reactions for HTHR. The overall RCCI/SCCI combustion can be understood by mapping the variation of 2-D RCCI/SCCI combustion in temperature space onto the temporal evolution of 0-D ignition.

  7. Using Mode of Action to Assess Health Risks from Mixtures of Chemical/Physical Agents

    Energy Technology Data Exchange (ETDEWEB)

    Bull, Richard J.; Lei, Xingye C.; Sasser, Lyle B.

    2003-01-20

    Interactions between tumor promoters with differing mechanisms of action were examined in male B6C3F1 mice treated with mixtures of dichloroacetate (DCA), trichloroacetate (TCA), and tetrachloride (CT), each of which acts by a different mode of action. Mice were initiated by vinyl carbamate (VC), and then promoted by DCA, TCA, CT, or the pair-wised combinations of the three compounds. The effect of each treatment or treatment combination on tumor number/animal and tumor size was individually assessed at 18, 24, 30 or 36 weeks of treatment. Dose-related increases in tumor size were observed with 20 & 50 mg/kg CT, but each produced equal number of tumors at 36 weeks with the main distinction being a decrease in tumor latency at the higher dose. Overall TCA treatment produced dose-related increases in tumor number at 36 weeks of treatment. Thus, the lower doses of CT and TCA treatments apparently affected tumor size rather than number. Results with DCA were not as clear as a true maximum tumor number was not clearly observed within the experimental period. Treatment of mice receiving a high dose of TCA (2 g/L of drinking water) combined with varying doses of DCA (0.1, 0.5 and 2 g/L) produced increased numbers of tumors at 24 weeks and 36 weeks. However, at 36 weeks of treatment DCA produced a dose-related decrease in the size of tumors promoted by TCA. The low dose of TCA (0.1 g/L) decreased the number of tumors produced by a high dose of DCA, however, higher doses of TCA produced the same number as observed with DCA alone. Since these two chemicals produce lesions with differing phenotypes, the combination would have been expected to be additive with respect to number, but this was obviously not the case. These data suggest that the induction of liver cancer from mixtures of solvents may have predictable outcomes. The major conclusion is that these interactions are generally no more than additive. It was most interesting to note that additivity was only observed when

  8. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  9. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    Science.gov (United States)

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-01

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  10. A simple procedure for estimating pseudo risk ratios from exposure to non-carcinogenic chemical mixtures.

    Science.gov (United States)

    Scinicariello, Franco; Portier, Christopher

    2016-03-01

    Non-cancer risk assessment traditionally assumes a threshold of effect, below which there is a negligible risk of an adverse effect. The Agency for Toxic Substances and Disease Registry derives health-based guidance values known as Minimal Risk Levels (MRLs) as estimates of the toxicity threshold for non-carcinogens. Although the definition of an MRL, as well as EPA reference dose values (RfD and RfC), is a level that corresponds to "negligible risk," they represent daily exposure doses or concentrations, not risks. We present a new approach to calculate the risk at exposure to specific doses for chemical mixtures, the assumption in this approach is to assign de minimis risk at the MRL. The assigned risk enables the estimation of parameters in an exponential model, providing a complete dose-response curve for each compound from the chosen point of departure to zero. We estimated parameters for 27 chemicals. The value of k, which determines the shape of the dose-response curve, was moderately insensitive to the choice of the risk at the MRL. The approach presented here allows for the calculation of a risk from a single substance or the combined risk from multiple chemical exposures in a community. The methodology is applicable from point of departure data derived from quantal data, such as data from benchmark dose analyses or from data that can be transformed into probabilities, such as lowest-observed-adverse-effect level. The individual risks are used to calculate risk ratios that can facilitate comparison and cost-benefit analyses of environmental contamination control strategies.

  11. Biological and chemical reactivity and phosphorus forms of buffalo manure compost, vermicompost and their mixture with biochar.

    Science.gov (United States)

    Ngo, Phuong-Thi; Rumpel, Cornelia; Ngo, Quoc-Anh; Alexis, Marie; Velásquez Vargas, Gabriela; Mora Gil, Maria de la Luz; Dang, Dinh-Kim; Jouquet, Pascal

    2013-11-01

    This study characterized the carbon and phosphorus composition of buffalo manure, its compost and vermicompost and investigated if presence of bamboo biochar has an effect on their chemical and biological reactivity. The four substrates were characterized for chemical and biochemical composition and P forms. The biological stability of the four substrates and their mixtures were determined during an incubation experiment. Their chemical reactivity was analyzed after acid dichromate oxidation. Biological reactivity of these substrates was related to their soluble organic matter content, which decreased in the order buffalo manure>compost>vermicompost. Phosphorus was labile in all organic substrates and composting transformed organic P into plant available P. The presence of biochar led to a protection of organic matter against chemical oxidation and changed their susceptibility to biological degradation, suggesting that biochar could increase the carbon sequestration potential of compost, vermicompost and manure, when applied in mixture.

  12. Analysis of Environmental Chemical Mixtures and Non-Hodgkin Lymphoma Risk in the NCI-SEER NHL Study

    Science.gov (United States)

    Czarnota, Jenna; Gennings, Chris; Colt, Joanne S.; De Roos, Anneclaire J.; Cerhan, James R.; Severson, Richard K.; Hartge, Patricia; Ward, Mary H.

    2015-01-01

    Background There are several suspected environmental risk factors for non-Hodgkin lymphoma (NHL). The associations between NHL and environmental chemical exposures have typically been evaluated for individual chemicals (i.e., one-by-one). Objectives We determined the association between a mixture of 27 correlated chemicals measured in house dust and NHL risk. Methods We conducted a population-based case–control study of NHL in four National Cancer Institute–Surveillance, Epidemiology, and End Results centers—Detroit, Michigan; Iowa; Los Angeles County, California; and Seattle, Washington—from 1998 to 2000. We used weighted quantile sum (WQS) regression to model the association of a mixture of chemicals and risk of NHL. The WQS index was a sum of weighted quartiles for 5 polychlorinated biphenyls (PCBs), 7 polycyclic aromatic hydrocarbons (PAHs), and 15 pesticides. We estimated chemical mixture weights and effects for study sites combined and for each site individually, and also for histologic subtypes of NHL. Results The WQS index was statistically significantly associated with NHL overall [odds ratio (OR) = 1.30; 95% CI: 1.08, 1.56; p = 0.006; for one quartile increase] and in the study sites of Detroit (OR = 1.71; 95% CI: 1.02, 2.92; p = 0.045), Los Angeles (OR = 1.44; 95% CI: 1.00, 2.08; p = 0.049), and Iowa (OR = 1.76; 95% CI: 1.23, 2.53; p = 0.002). The index was marginally statistically significant in Seattle (OR = 1.39; 95% CI: 0.97, 1.99; p = 0.071). The most highly weighted chemicals for predicting risk overall were PCB congener 180 and propoxur. Highly weighted chemicals varied by study site; PCBs were more highly weighted in Detroit, and pesticides were more highly weighted in Iowa. Conclusions An index of chemical mixtures was significantly associated with NHL. Our results show the importance of evaluating chemical mixtures when studying cancer risk. Citation Czarnota J, Gennings C, Colt JS, De Roos AJ, Cerhan JR, Severson RK, Hartge P, Ward MH

  13. Juvenile Male Rats Exposed to a Low-Dose Mixture of Twenty-Seven Environmental Chemicals Display Adverse Health Effects

    DEFF Research Database (Denmark)

    Hadrup, Niels; Svingen, Terje; Egebjerg, Karen Mandrup;

    2016-01-01

    of 27 chemicals administered orally to juvenile male rats for three months could leave a pathophysiological footprint. The mixture contained metals, perfluorinated compounds, PCB, dioxins, pesticides, heterocyclic amines, phthalate, PAHs and others, with a combined dose of 0.16 (Low dose), 0.47 (Mid...

  14. Subtleties of human exposure and response to chemical mixtures from spills.

    Science.gov (United States)

    Phetxumphou, Katherine; Dietrich, Andrea M; Shanaiah, Narasimhamurthy; Smiley, Elizabeth; Gallagher, Daniel L

    2016-07-01

    Worldwide, chemical spills degrade drinking water quality and threaten human health through ingestion and inhalation. Spills are often mixtures of chemicals; thus, understanding the interaction of chemical and biological properties of the major and minor components is critical to assessing human exposure. The crude (4-methylcyclohexyl)methanol (MCHM) spill provides an opportunity to assess such subtleties. This research determined the relative amounts, volatilization, and biological odor properties of minor components cis- and trans-methyl-4-methylcyclohexanecarboxylate (MMCHC) isomers and major components cis- and trans-4-MCHM, then compared properties and human exposure differences among them. (1)H nuclear magnetic resonance and chromatography revealed that the minor MMCHC isomers were about 1% of the major MCHM isomers. At typical showering temperature of 40 °C, Henry's law constants were 1.50 × 10(-2) and 2.23 × 10(-2) for cis- and trans-MMCHC, respectively, which is 20-50 fold higher than for 4-MCHM isomers. The odor thresholds were 1.83 and 0.02 ppb-v air for cis- and trans-MMCHC, which were both described as predominantly sweet. These data are compared to the higher 120 ppb-v air and 0.06 ppb-v odor thresholds for cis- and trans-4-MCHM, for which the trans-isomer had a dominant licorice descriptor. Application of a shower model demonstrated that while MMCHC isomers are only about 1% of the MCHM isomers, during showering, the MMCHC isomers are 13.8% by volume (16.3% by mass) because of their higher volatility. Trans-4-MCHM contributed about 82% of the odor because of higher volatility and lower odor threshold, trans-MMCHC, which represents 0.3% of the mass, contributed 18% of the odor. This study, with its unique human sensory component to assess exposure, reaffirmed that hazard assessment must not be based solely on relative concentration, but also consider the chemical fate, transport, and biological properties to determine the actual levels of

  15. Probabilistic Health Risk Assessment of Chemical Mixtures: Importance of Travel Times and Connectivity

    Science.gov (United States)

    Henri, Christopher V.; Fernàndez-Garcia, Daniel; de Barros, Felipe P. J.

    2014-05-01

    Subsurface contamination cases giving rise to groundwater pollutions are extensively found in all industrialized countries. Under this pressure, risk assessment methods play an important role in population protection by (1) quantifying the potential impact on human health of an aquifer contamination and (2) helping and driving decisions of groundwater-resource managers. Many reactive components such as chlorinated solvents or nitrates potentially experience attenuation processes under common geochemical conditions. This represents an attractive and extensively used remediation solution but leads often to the production of by-products before to reach a harmless chemical form. This renders mixtures of contaminants a common issue for groundwater resources managers. In this case, the threat posed by these contaminants to human health at a given sensitive location greatly depends on the competition between reactive and advective-dispersive characteristic times. However, hydraulic properties of the aquifer are known to be spatially variable, which can lead to the formation of preferential flow channels and fast contamination pathways. Therefore, the uncertainty on the spatial distribution of the aquifer properties controlling the plume travel time may then play a particular role in the human health risk assessment of chemical mixtures. We investigate here the risk related to a multispecies system in response to different degrees of heterogeneity of the hydraulic conductivity (K or Y =ln(K)). This work focuses on a Perchloroethylene (PCE) contamination problem followed by the sequential first-order production/biodegradation of its daughter species Trichloroethylene (TCE), Dichloroethylene (DCE) and Vinyl Chlorine (VC). For this specific case, VC is known to be a highly toxic contaminant. By performing numerical experiments, we evaluate transport through three-dimensional mildly (σY 2=1.0) and highly (σY 2=4.0) heterogeneous aquifers. Uncertainty on the hydraulic

  16. Stabilization of heavy oil-water emulsions using a bio/chemical emulsifier mixture

    Energy Technology Data Exchange (ETDEWEB)

    Farahbakhsh, A.; Taghizadeh, M.; Movagharnejad, K. [Chemical Engineering Department, Babol University of Technology, Babol (Iran, Islamic Republic of); Yakhchali, B. [National Institute of Genetic Engineering and Biotechnology, Tehran (Iran, Islamic Republic of)

    2011-11-15

    In this study, the viscosity reduction of heavy oil has been investigated through the formation of oil-water emulsion using a bio/chemical emulsifier mixture. Four bioemulsifiers from indigenous Rhodococcus ergthropolis and Bacillus licheniformis strains were used to stabilize a highly-viscous oil-in-water emulsion. The Taguchi method with an L{sub 9} orthogonal array design was used to investigate the effect of various control factors on the formation of the oil/water emulsions. An emulsion with lowest viscosity was formed using ACO4 strain. The substantial stability of the oil-in-water emulsion allows the heavy oil to be transported practically over long distances or remain stationary for a considerable period of time prior to utilization. As the result of Taguchi analysis, the temperature and concentration of the emulsifier had a significant influence on viscosity reduction of the emulsion. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysis

    KAUST Repository

    Hourani, Nadim

    2013-10-01

    Rationale Polycyclic aromatic sulfur heterocycles (PASHs) are detrimental species for refining processes in petroleum industry. Current mass spectrometric Methods that determine their composition are often preceded by derivatization and dopant addition approaches. Different ionization Methods have different impact on the molecular assignment of complex PASHs. The analysis of such species under atmospheric pressure chemical ionization (APCI) is still considered limited due to uncontrolled ion generation with low- and high-mass PASHs. Methods The ionization behavior of a model mixture of five selected PASH standards was investigated using an APCI source with nitrogen as the reagent gas. A complex thiophenic fraction was separated from a vacuum gas oil (VGO) and injected using the same method. The samples were analyzed using Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). RESULTS PASH model analytes were successfully ionized and mainly [M + H]+ ions were produced. The same ionization pattern was observed for the real thiophenic sample. It was found that S1 class species were the major sulfur-containing species found in the VGO sample. These species indicated the presence of alkylated benzothiophenic (BT), dibenzothiophenic (DBT) and benzonaphthothiophenic (BNT) series that were detected by APCI-FTICR MS. CONCLUSIONS This study provides an established APCI-FTICR MS method for the analysis of complex PASHs. PASHs were detected without using any derivatization and without fragmentation. The method can be used for the analysis of S-containing crude oil samples. © 2013 John Wiley & Sons, Ltd.

  18. Physico-chemical properties of chars obtained in the co-pyrolysis of waste mixtures.

    Science.gov (United States)

    Bernardo, M; Lapa, N; Gonçalves, M; Mendes, B; Pinto, F; Fonseca, I; Lopes, H

    2012-06-15

    The present work aims to perform a multistep upgrading of chars obtained in the co-pyrolysis of PE, PP and PS plastic wastes, pine biomass and used tires. The quality of the upgraded chars was evaluated by measuring some of their physico-chemical properties in order to assess their valorisation as adsorbents' precursors. The crude chars were submitted to a sequential solvent extraction with organic solvents of increasing polarity (hexane, mixture 1:1 v/v hexane:acetone and acetone) followed by an acidic demineralization procedure with 1M HCl solution. The results obtained showed that the upgrading treatment allow the recovery of 63-81% of the pyrolysis oils trapped in the crude chars and a reduction in the char's ash content in the range of 64-86%. The textural and adsorption properties of the upgraded chars were evaluated and the results indicate that the chars are mainly mesoporous and macroporous materials, with adsorption capacities in the range of 3.59-22.2 mg/g for the methylene blue dye. The upgrading treatment allowed to obtain carbonaceous materials with quality to be reused as adsorbents or as precursors for activated carbon.

  19. Model-based experimental design for assessing effects of mixtures of chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Baas, Jan, E-mail: jan.baas@falw.vu.n [Vrije Universiteit of Amsterdam, Dept of Theoretical Biology, De Boelelaan 1085, 1081 HV Amsterdam (Netherlands); Stefanowicz, Anna M., E-mail: anna.stefanowicz@uj.edu.p [Institute of Environmental Sciences, Jagiellonian University, Gronostajowa 7, 30-387 Krakow (Poland); Klimek, Beata, E-mail: beata.klimek@uj.edu.p [Institute of Environmental Sciences, Jagiellonian University, Gronostajowa 7, 30-387 Krakow (Poland); Laskowski, Ryszard, E-mail: ryszard.laskowski@uj.edu.p [Institute of Environmental Sciences, Jagiellonian University, Gronostajowa 7, 30-387 Krakow (Poland); Kooijman, Sebastiaan A.L.M., E-mail: bas@bio.vu.n [Vrije Universiteit of Amsterdam, Dept of Theoretical Biology, De Boelelaan 1085, 1081 HV Amsterdam (Netherlands)

    2010-01-15

    We exposed flour beetles (Tribolium castaneum) to a mixture of four poly aromatic hydrocarbons (PAHs). The experimental setup was chosen such that the emphasis was on assessing partial effects. We interpreted the effects of the mixture by a process-based model, with a threshold concentration for effects on survival. The behavior of the threshold concentration was one of the key features of this research. We showed that the threshold concentration is shared by toxicants with the same mode of action, which gives a mechanistic explanation for the observation that toxic effects in mixtures may occur in concentration ranges where the individual components do not show effects. Our approach gives reliable predictions of partial effects on survival and allows for a reduction of experimental effort in assessing effects of mixtures, extrapolations to other mixtures, other points in time, or in a wider perspective to other organisms. - We show a mechanistic approach to assess effects of mixtures in low concentrations.

  20. Physical-chemical characteristics of an eco-friendly binder using ternary mixture of industrial wastes

    Directory of Open Access Journals (Sweden)

    Nguyen, Hoang-Anh

    2015-09-01

    Full Text Available This study explores the physical-chemical characteristics of paste and mortar with an eco-friendly binder named as SFC cement, produced by a ternary mixture of industrial waste materials of ground granulated blast furnace slag (S, Class F fly ash (FFA, and circulating fluidized bed combustion fly ash (CFA. To trigger the hydration, the CFA, which acted as an alkaline-sulfate activator, was added to the blended mixture of slag and FFA. The water to binder ratio (W/B, curing regime, and FFA addition significantly affected the engineering performances and shrinkage/expansion of the SFC pastes and mortars. The SFC mortars had higher workability than that of ordinary Portland cement (OPC. With similar workability, the SFC mortars had compressive strengths and expansions comparable to OPC mortars. The main hydration products of the hardened SFC cement were ettringite (AFt and C-S-H/C-A-S-H. The transformation of the AFt to the monosulfates was observed as the hydration time increased.Este trabajo estudia las características fisicoquímicas de pastas y morteros con un ligante eco-amigable llamado cemento SFC, producido por una mezcla ternaria de materiales a partir de residuos industriales tales como escorias granuladas de alto horno (S, ceniza volante clase F (FFA, y cenizas volantes de combustión en lecho fluidizado circulante (CFA. Para desencadenar la hidratación, el CFA que actuó como un activador alcalino-sulfato se añadió a la mezcla combinada de escoria y FFA. La relación de agua/ligante (W/B, el tipo de curado, y la adición de FFA afectaron significativamente a las prestaciones mecánicas así como a la retracción/expansión de pastas y morteros de SFC. Los morteros SFC presentaron una trabajabilidad mayor que los correspondientes de cemento de Portland (OPC. Con una trabajabilidad similar, los morteros SFC presentaron resistencias mecánicas y expansión comparables a los morteros de OPC. Los principales productos de hidratación del

  1. Genotoxic and hematological effects in children exposed to a chemical mixture in a petrochemical area in Mexico.

    Science.gov (United States)

    Pelallo-Martínez, Nadia Azenet; Batres-Esquivel, Lilia; Carrizales-Yáñez, Leticia; Díaz-Barriga, Fernando Martínez

    2014-07-01

    Children living in Coatzacoalcos, Veracruz, and in nearby surrounding areas are exposed to a mixture of pollutants from different sources. Previous studies in the area have reported genotoxic and haematotoxic compounds, such as lead (Pb), benzene, toluene, and polycyclic aromatic hydrocarbons (PAHs), in environmental and biological samples. The final toxic effects of these compounds are unknown because the toxic behaviour of each compound is modified when in a complex mixture. This is the first study on the exposure and effect of chemical mixtures on children who live near a petrochemical area. The aim of this study was to evaluate genotoxicity and haematological effects in children environmentally exposed to such mixtures and to determine whether the final effect was modified by the composition of the mixture composition. Biomarkers of exposure to Pb, benzene, toluene, and PAHs were quantified in urine and blood samples of 102 children. DNA damage was evaluated using comet assay, and haematological parameters were determined. Our results show that Pb and toluene did not surpass the exposure guidelines; the exposure was similar in all three localities (Allenede, Mundo Nuevo, and López Mateos). In contrast, exposure to PAHs was observed at three levels of exposure: low, medium, and high. The most severe effects of these mixtures were strictly related to coexposure to high levels of PAHs.

  2. Transport of heavy metals and chemical compatibility of hydraulic conductivity of a compacted sand-bentonite mixture

    Directory of Open Access Journals (Sweden)

    Nanthanit Charoenthaisong

    2008-03-01

    Full Text Available Clayey soils are usually used as barrier material in landfill liners because of its low hydraulic conductivity and high sorption capacity. Bentonite, which consists mainly of montmorillonite, has a high cation exchange capacity resulting in a high retention capacity of heavy metals. Sand is a permeable material but its hydraulic conductivity decreases significantly when mixed with bentonite. However, using a sand-bentonite mixture as landfill liners is questionable, because the hydraulic conductivity of the sand-bentonite mixture may increase when permeated with heavy metal solutions, which are normally found in landfill leachates. In this paper, transport of heavy metals through a compacted sand-bentonite mixture and its chemical compatibility were studied through the batch adsorption test, the column test, and the hydraulic conductivity test.Experimental results indicate that the sorption capacity of the bentonite, ranked in descending order, was Cr3+, Pb2+, Cd2+, Zn2+, and Ni2+, respectively. The diffusion coefficients of the sand-bentonite mixture were in the order of 10-5 cm2/s and the retardation factors were 130, 115, 111, and 90 for Pb2+, Ni2+, Zn2+, and Cd2+, respectively. The hydraulic conductivity of thesand-bentonite mixture was only compatible with a chromium solution having a concentration not greater than 0.001 M.

  3. Determinants of Exposure to Fragranced Product Chemical Mixtures in a Sample of Twins

    Directory of Open Access Journals (Sweden)

    Matthew O. Gribble

    2015-01-01

    Full Text Available Fragranced product chemical mixtures may be relevant for environmental health, but little is known about exposure. We analyzed results from an olfactory challenge with the synthetic musk fragrance 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-cyclopento-γ-2-benzopyran (HHCB, and a questionnaire about attitudes toward chemical safety and use of fragranced products, in a sample of 140 white and 17 black twin pairs attending a festival in Ohio. Data for each product were analyzed using robust ordered logistic regressions with random intercepts for “twin pair” and “sharing address with twin”, and fixed effects for sex, age, education, and “ever being bothered by fragrances”. Due to the small number of black participants, models were restricted to white participants except when examining racial differences. Overall patterns of association were summarized across product-types through random-effects meta-analysis. Principal components analysis was used to summarize clustering of product use. The dominant axis of variability in fragranced product use was “more vs. less”, followed by a distinction between household cleaning products and personal care products. Overall, males used fragranced products less frequently than females (adjusted proportionate odds ratio 0.55, 95% confidence interval 0.33, 0.93. This disparity was driven by personal care products (0.42, 95% CI: 0.19, 0.96, rather than household cleaning products (0.79, 95% CI: 0.49, 1.25 and was particularly evident for body lotion (0.12, 95% CI: 0.05, 0.27. Overall usage differed by age (0.64, 95% CI: 0.43, 0.95 but only hand soap and shampoo products differed significantly. “Ever being bothered by fragrance” had no overall association (0.92, 95% CI: 0.65, 1.30 but was associated with laundry detergent use (0.46, 95% CI: 0.23, 0.93. Similarly, black vs. white differences on average were not significant (1.34, 95% CI: 0.55, 3.28 but there were apparent differences in use of

  4. Assessing the carcinogenic potential of low-dose exposures to chemical mixtures in the environment: the challenge ahead

    Science.gov (United States)

    Goodson, William H.; Lowe, Leroy; Carpenter, David O.; Gilbertson, Michael; Manaf Ali, Abdul; Lopez de Cerain Salsamendi, Adela; Lasfar, Ahmed; Carnero, Amancio; Azqueta, Amaya; Amedei, Amedeo; Charles, Amelia K.; Collins, Andrew R.; Ward, Andrew; Salzberg, Anna C.; Colacci, Anna Maria; Olsen, Ann-Karin; Berg, Arthur; Barclay, Barry J.; Zhou, Binhua P.; Blanco-Aparicio, Carmen; Baglole, Carolyn J.; Dong, Chenfang; Mondello, Chiara; Hsu, Chia-Wen; Naus, Christian C.; Yedjou, Clement; Curran, Colleen S.; Laird, Dale W.; Koch, Daniel C.; Carlin, Danielle J.; Felsher, Dean W.; Roy, Debasish; Brown, Dustin G.; Ratovitski, Edward; Ryan, Elizabeth P.; Corsini, Emanuela; Rojas, Emilio; Moon, Eun-Yi; Laconi, Ezio; Marongiu, Fabio; Al-Mulla, Fahd; Chiaradonna, Ferdinando; Darroudi, Firouz; Martin, Francis L.; Van Schooten, Frederik J.; Goldberg, Gary S.; Wagemaker, Gerard; Nangami, Gladys N.; Calaf, Gloria M.; Williams, Graeme P.; Wolf, Gregory T.; Koppen, Gudrun; Brunborg, Gunnar; Lyerly, H. Kim; Krishnan, Harini; Ab Hamid, Hasiah; Yasaei, Hemad; Sone, Hideko; Kondoh, Hiroshi; Salem, Hosni K.; Hsu, Hsue-Yin; Park, Hyun Ho; Koturbash, Igor; Miousse, Isabelle R.; Scovassi, A.Ivana; Klaunig, James E.; Vondráček, Jan; Raju, Jayadev; Roman, Jesse; Wise, John Pierce; Whitfield, Jonathan R.; Woodrick, Jordan; Christopher, Joseph A.; Ochieng, Josiah; Martinez-Leal, Juan Fernando; Weisz, Judith; Kravchenko, Julia; Sun, Jun; Prudhomme, Kalan R.; Narayanan, Kannan Badri; Cohen-Solal, Karine A.; Moorwood, Kim; Gonzalez, Laetitia; Soucek, Laura; Jian, Le; D’Abronzo, Leandro S.; Lin, Liang-Tzung; Li, Lin; Gulliver, Linda; McCawley, Lisa J.; Memeo, Lorenzo; Vermeulen, Louis; Leyns, Luc; Zhang, Luoping; Valverde, Mahara; Khatami, Mahin; Romano, Maria Fiammetta; Chapellier, Marion; Williams, Marc A.; Wade, Mark; Manjili, Masoud H.; Lleonart, Matilde E.; Xia, Menghang; Gonzalez Guzman, Michael J.; Karamouzis, Michalis V.; Kirsch-Volders, Micheline; Vaccari, Monica; Kuemmerle, Nancy B.; Singh, Neetu; Cruickshanks, Nichola; Kleinstreuer, Nicole; van Larebeke, Nik; Ahmed, Nuzhat; Ogunkua, Olugbemiga; Krishnakumar, P.K.; Vadgama, Pankaj; Marignani, Paola A.; Ghosh, Paramita M.; Ostrosky-Wegman, Patricia; Thompson, Patricia A.; Dent, Paul; Heneberg, Petr; Darbre, Philippa; Leung, Po Sing; Nangia-Makker, Pratima; Cheng, Qiang (Shawn); Robey, R.Brooks; Al-Temaimi, Rabeah; Roy, Rabindra; Andrade-Vieira, Rafaela; Sinha, Ranjeet K.; Mehta, Rekha; Vento, Renza; Di Fiore, Riccardo; Ponce-Cusi, Richard; Dornetshuber-Fleiss, Rita; Nahta, Rita; Castellino, Robert C.; Palorini, Roberta; Hamid, Roslida A.; Langie, Sabine A.S.; Eltom, Sakina E.; Brooks, Samira A.; Ryeom, Sandra; Wise, Sandra S.; Bay, Sarah N.; Harris, Shelley A.; Papagerakis, Silvana; Romano, Simona; Pavanello, Sofia; Eriksson, Staffan; Forte, Stefano; Casey, Stephanie C.; Luanpitpong, Sudjit; Lee, Tae-Jin; Otsuki, Takemi; Chen, Tao; Massfelder, Thierry; Sanderson, Thomas; Guarnieri, Tiziana; Hultman, Tove; Dormoy, Valérian; Odero-Marah, Valerie; Sabbisetti, Venkata; Maguer-Satta, Veronique; Rathmell, W.Kimryn; Engström, Wilhelm; Decker, William K.; Bisson, William H.; Rojanasakul, Yon; Luqmani, Yunus; Chen, Zhenbang; Hu, Zhiwei

    2015-01-01

    Lifestyle factors are responsible for a considerable portion of cancer incidence worldwide, but credible estimates from the World Health Organization and the International Agency for Research on Cancer (IARC) suggest that the fraction of cancers attributable to toxic environmental exposures is between 7% and 19%. To explore the hypothesis that low-dose exposures to mixtures of chemicals in the environment may be combining to contribute to environmental carcinogenesis, we reviewed 11 hallmark phenotypes of cancer, multiple priority target sites for disruption in each area and prototypical chemical disruptors for all targets, this included dose-response characterizations, evidence of low-dose effects and cross-hallmark effects for all targets and chemicals. In total, 85 examples of chemicals were reviewed for actions on key pathways/mechanisms related to carcinogenesis. Only 15% (13/85) were found to have evidence of a dose-response threshold, whereas 59% (50/85) exerted low-dose effects. No dose-response information was found for the remaining 26% (22/85). Our analysis suggests that the cumulative effects of individual (non-carcinogenic) chemicals acting on different pathways, and a variety of related systems, organs, tissues and cells could plausibly conspire to produce carcinogenic synergies. Additional basic research on carcinogenesis and research focused on low-dose effects of chemical mixtures needs to be rigorously pursued before the merits of this hypothesis can be further advanced. However, the structure of the World Health Organization International Programme on Chemical Safety ‘Mode of Action’ framework should be revisited as it has inherent weaknesses that are not fully aligned with our current understanding of cancer biology. PMID:26106142

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  6. Chemical and thermal stability of refrigerant-lubricant mixtures with metals

    Energy Technology Data Exchange (ETDEWEB)

    Huttenlocher, D.F.

    1992-10-09

    This report presents the results of a sealed tube stability study on twenty-one refrigerant-lubricant mixtures selected from the following groupings: HFCs R-32, R-125, R-134, R-134a, R-143a, and R-152a with one or more lubricants selected from among three pentaerythritol esters and three polyalkylene glycols. All lubricants were carefully predried to 25 ppm or less moisture content. HCFCs R-22, R-123, R-124, and R-142b, as well as CFC R-11, with one or more lubricants selected from among two mineral oils and one alkylbenzene fluid. Bach test mixture was aged at three temperature levels.

  7. Chemical and thermal stability of refrigerant-lubricant mixtures with metals. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Huttenlocher, D.F.

    1992-10-09

    This report presents the results of a sealed tube stability study on twenty-one refrigerant-lubricant mixtures selected from the following groupings: HFCs R-32, R-125, R-134, R-134a, R-143a, and R-152a with one or more lubricants selected from among three pentaerythritol esters and three polyalkylene glycols. All lubricants were carefully predried to 25 ppm or less moisture content. HCFCs R-22, R-123, R-124, and R-142b, as well as CFC R-11, with one or more lubricants selected from among two mineral oils and one alkylbenzene fluid. Bach test mixture was aged at three temperature levels.

  8. Richard Rufus's theory of mixture: a medieval explanation of chemical combination.

    Science.gov (United States)

    Weisberg, Michael; Wood, Rega

    2003-05-01

    Richard Rufus of Cornwall offered a novel solution to the problem of mixture raised by Aristotle. The puzzle is that mixts or mixed bodies (blood, flesh, wood, etc.) seem to be unexplainable through logic, even though the world is full of them. Rufus's contribution to this long-standing theoretical debate is the development of a modal interpretation of certain Averroistic doctrines. Rufus's account, which posits that the elemental forms in a mixt are in accidental potential, avoids many of the problems that plagued non-atomistic medieval theories of mixture. This paper is an initial examination of Rufus' account.

  9. Proceedings of the DOE chemical energy storage and hydrogen energy systems contracts review

    Energy Technology Data Exchange (ETDEWEB)

    1980-02-01

    Sessions were held on electrolysis-based hydrogen storage systems, hydrogen production, hydrogen storage systems, hydrogen storage materials, end-use applications and system studies, chemical heat pump/chemical energy storage systems, systems studies and assessment, thermochemical hydrogen production cycles, advanced production concepts, and containment materials. (LHK)

  10. Demonstration of a rapidly-swept external cavity quantum cascade laser for rapid and sensitive quantification of chemical mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Brumfield, Brian E.; Taubman, Matthew S.; Phillips, Mark C.

    2016-02-13

    A rapidly-swept external cavity quantum cascade laser (ECQCL) system for fast open-path quantification of multiple chemicals and mixtures is presented. The ECQCL system is swept over its entire tuning range (>100 cm-1) at frequencies up to 200 Hz. At 200 Hz the wavelength tuning rate and spectral resolution are 2x104 cm-1/sec and < 0.2 cm-1, respectively. The capability of the current system to quantify changes in chemical concentrations on millesecond timescales is demonstrated at atmospheric pressure using an open-path multi-pass cell. The detection limits for chemicals ranged from ppb to ppm levels depending on the absorption cross-section.

  11. Passive dosing of polycyclic aromatic hydrocarbon (PAH) mixtures to terrestrial springtails: Linking mixture toxicity to chemical activities, equilibrium lipid concentrations, and toxic units

    DEFF Research Database (Denmark)

    Schmidt, Stine Nørgaard; Holmstrup, Martin; Smith, Kilian E. C.

    2013-01-01

    In the present study, a 7-day mixture toxicity experiment with the terrestrial springtail Folsomia candida was conducted, and the effects linked to three different mixture exposure parameters. Passive dosing from silicone was applied to tightly control exposure levels and compositions of 12 mixture...... exposure in terms of both level and composition, while ∑a, ∑Clipid eq., and ∑TU allowed baseline toxicity to be linked to mixture exposure....

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

    Science.gov (United States)

    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...

  13. Identifying changes in chemical, interfacial and foam properties of ß-lactoglobulin–sodium dodecyl sulphate mixtures

    NARCIS (Netherlands)

    Lech, F.J.; Steltenpool, P.; Meinders, M.B.J.; Sforza, S.; Gruppen, H.; Wierenga, P.A.

    2014-01-01

    Techno-functional properties of proteins, such as foam stability, can be affected by the presence of low-molecular-weight surfactants. In order to understand and control the foam properties of such protein–surfactant mixtures, a thorough characterization of foam and interfacial properties needs to b

  14. Conversion of the chemical concentration of odorous mixtures into odour concentration and odour intensity: a comparison of methods

    CERN Document Server

    Wu, C; Zhao, P; Piringer, M; Schauberger, G

    2015-01-01

    Continuous odour measurements both of emissions as well as ambient concentrations are seldom realised, mainly because of their high costs. They are therefore often substituted by concentration measurements of odorous substances. Then a conversion of the chemical concentrations C (mg m-3) into odour concentrations COD (ouE m-3) and odour intensities OI is necessary. Four methods to convert the concentrations of single substances to the odour concentrations and odour intensities of an odorous mixture are investigated: (1) direct use of measured concentrations, (2) the sum of the odour activity value SOAV, (3) the sum of the odour intensities SOI, and (4) the equivalent odour concentration EOC, as a new method. The methods are evaluated with olfactometric measurements of seven substances as well as their mixtures. The results indicate that the SOI and EOC conversion methods deliver reliable values. These methods use not only the odour threshold concentration but also the slope of the Weber-Fechner law to include...

  15. An Assessment of the Model of Concentration Addition for Predicting the Estrogenic Activity of Chemical Mixtures in Wastewater Treatment Works Effluents

    OpenAIRE

    Thorpe, Karen L.; Gross-Sorokin, Melanie; Johnson, Ian; Brighty, Geoff; Tyler, Charles R.

    2005-01-01

    The effects of simple mixtures of chemicals, with similar mechanisms of action, can be predicted using the concentration addition model (CA). The ability of this model to predict the estrogenic effects of more complex mixtures such as effluent discharges, however, has yet to be established. Effluents from 43 U.K. wastewater treatment works were analyzed for the presence of the principal estrogenic chemical contaminants, estradiol, estrone, ethinylestradiol, and nonylphenol. The measured conce...

  16. Chemical Equilibrium Mixture Computations for Energetic Material Combustion in Closed Vessels

    Science.gov (United States)

    2004-12-01

    are used with well-known equations of state stemming from Redlich , Kwong and Soave (RKS); Benedict, Webb, Rubin, Starling and Han (BWRSH); Becker...mixture of numerous imperfect gases and compressible liquid and solid species with phase transitions for closed-vessel applications . This code minimizes...solid species. The benefits of the computational methods in providing accurate pre- dictions for the applications mentioned previously de- pend

  17. Finding a needle in a chemical haystack: tip-enhanced Raman scattering for studying carbon nanotubes mixtures

    Science.gov (United States)

    Chan, K. L. Andrew; Kazarian, Sergei G.

    2010-11-01

    Tip-enhanced Raman scattering (TERS) has emerged as a powerful analytical tool for measuring chemical images with nanometre spatial resolution. In this paper, the application of TERS to study differentiation of single-walled carbon nanotubes (SWCNTs) with 14 nm spatial resolution is demonstrated by the measurement of a mixture of two different types of SWCNTs as the model sample. The results demonstrate that TERS is a viable tool for the detection and localization of different SWCNTs and amorphous carbon in mixed SWCNTs based on the spectral differences in the radial breathing mode and the D bands.

  18. Finding a needle in a chemical haystack: tip-enhanced Raman scattering for studying carbon nanotubes mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Chan, K L Andrew; Kazarian, Sergei G, E-mail: s.kazarian@imperial.ac.uk [Department of Chemical Engineering, Imperial College London, SW7 2AZ (United Kingdom)

    2010-11-05

    Tip-enhanced Raman scattering (TERS) has emerged as a powerful analytical tool for measuring chemical images with nanometre spatial resolution. In this paper, the application of TERS to study differentiation of single-walled carbon nanotubes (SWCNTs) with 14 nm spatial resolution is demonstrated by the measurement of a mixture of two different types of SWCNTs as the model sample. The results demonstrate that TERS is a viable tool for the detection and localization of different SWCNTs and amorphous carbon in mixed SWCNTs based on the spectral differences in the radial breathing mode and the D bands.

  19. Immunomodulation of Mytilus hemocytes by individual estrogenic chemicals and environmentally relevant mixtures of estrogens: in vitro and in vivo studies.

    Science.gov (United States)

    Canesi, Laura; Lorusso, Lucia Cecilia; Ciacci, Caterina; Betti, Michele; Rocchi, Marco; Pojana, Giulio; Marcomini, Antonio

    2007-02-15

    Endocrine disrupting compounds (EDCs) are almost ubiquitous in the aquatic environment. In the marine bivalve Mytilus the natural estrogen 17beta-estradiol (E2) and different EDCs have been recently demonstrated to affect the function of the immune cells, the hemocytes. The effects were Tamoxifen-sensitive and were mediated by rapid modulation of kinase-mediated transduction pathways. In this work we compared the in vitro effects of individual estrogenic chemicals (E2, EE: 17alpha-ethynyl estradiol; MES: mestranol; NP: nonylphenol; NP1EC: nonylphenol monoethoxylate carboxylate; BPA: bisphenol A; BP: benzophenone) on hemocyte parameters: lysosomal membrane stability (LMS), phagocytosis, lysozyme release. LMS was the most sensitive effect parameter, showing a decreasing trend at increasing concentrations of estrogens. EC50 values obtained from LMS data were utilized to calculate the estradiol equivalency factor (EEF) for each compound; these EEFs allowed for an estimation of the estrogenic potential of a synthetic mixture with a composition very similar to that previously found in waters of the Venice lagoon. Concentrated mixtures significantly affected hemocyte parameters in vitro and the effects were prevented by Tamoxifen. Significant effects of the mixture were also observed in vivo, at longer exposure times and at concentrations comparable with environmental exposure levels. The results indicate that Mytilus immune parameters can be suitably utilized to evaluate the estrogenic potential of environmental samples.

  20. THYROID DISRUPTING CHEMICALS: CHALLENGES IN ASSESSING NEUROTOXIC RISK FROM ENVIRONMENTAL MIXTURES.

    Science.gov (United States)

    Environmental contaminants are known to act as thyroid disrupting chemicals (TDCs). Broadly defined, TDCs are xenobiotics that alter the structure or function of the thyroid gland, alter regulatory enzymes associated with thyroid hormone (TH) homeostasis, or change circulating o...

  1. Using biological and physico-chemical test methods to assess the role of concrete mixture design in resistance to microbially induced corrosion

    Science.gov (United States)

    House, Mitchell Wayne

    Concrete is the most widely used material for construction of wastewater collection, storage, and treatment infrastructure. The chemical and physical characteristics of hydrated portland cement make it susceptible to degradation under highly acidic conditions. As a result, some concrete wastewater infrastructure may be susceptible to a multi-stage degradation process known as microbially induced corrosion, or MIC. MIC begins with the production of aqueous hydrogen sulfide (H2S(aq)) by anaerobic sulfate reducing bacteria present below the waterline. H2S(aq) partitions to the gas phase where it is oxidized to sulfuric acid by the aerobic sulfur oxidizing bacteria Thiobacillus that resides on concrete surfaces above the waterline. Sulfuric acid then attacks the cement paste portion of the concrete matrix through decalcification of calcium hydroxide and calcium silica hydrate coupled with the formation of expansive corrosion products. The attack proceeds inward resulting in reduced service life and potential failure of the concrete structure. There are several challenges associated with assessing a concrete's susceptibility to MIC. First, no standard laboratory tests exist to assess concrete resistance to MIC. Straightforward reproduction of MIC in the laboratory is complicated by the use of microorganisms and hydrogen sulfide gas. Physico-chemical tests simulating MIC by immersing concrete specimens in sulfuric acid offer a convenient alternative, but do not accurately capture the damage mechanisms associated with biological corrosion. Comparison of results between research studies is difficult due to discrepancies that can arise in experimental methods even if current ASTM standards are followed. This thesis presents two experimental methods to evaluate concrete resistance to MIC: one biological and one physico-chemical. Efforts are made to address the critical aspects of each testing method currently absent in the literature. The first method presented is a new test

  2. Chemical and physical effects induced by heavy cosmic ray analogues on frozen methanol and water ice mixtures

    Science.gov (United States)

    de Barros, A. L. F.; da Silveira, E. F.; Rothard, H.; Langlinay, T.; Boduch, P.

    2014-09-01

    The chemical and physical effects induced by fast heavy-ion irradiation on a frozen mixture of methanol (CH3OH) and water (H2O) at 15 K are analysed. The laboratory experiment described here simulates the energy transfer processes that occur when cosmic rays bombard this particular ice mixture and helps to elucidate the understanding of the radiolysis of ices occurring in interstellar medium grains, at the surfaces of comets, and on icy Solar system bodies. Infrared spectroscopy (FTIR) was used before and during irradiation with a 40 MeV 58Ni11+ ion beam to determine the variation of the main absorption bands of methanol, water and products. In particular, the radiolysis of CH3OH:H2O (1:1) mixture leads to the formation of H2CO, CH4, CO, CO2, HCO and HCOOCH3. Their formation and dissociation cross-sections are determined. H2CO, CH4 and HCOOCH3 molecules have relatively high destruction cross-sections of around 9 × 10-13 cm2. Furthermore, atomic carbon, oxygen and hydrogen budgets are determined and used to verify the stoichiometry of the most abundant molecular species formed. Temperature effects are compared with irradiation effects, and the spectra of samples warmed-up to different temperatures are compared with those of the irradiated CH3OH:H2O mixtures. As an astrophysical application, the CH3OH:H2O dissociation cross-sections due to other ion beam projectiles and energies are predicted assuming validity of the Se3/2 power law; calculation of the integrated dissociation rates confirms the importance of nickel and some other heavy-ion constituents of cosmic rays in astrochemistry.

  3. Introduction and session summaries for the proceedings of the twelfth symposium on biotechnology fuels and chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Greenbaum, E. (Oak Ridge National Lab., TN (USA)); Wyman, C.E. (Solar Energy Research Inst., Golden, CO (USA))

    1990-01-01

    This Twelfth Symposium on Biotechnology for Fuels and Chemicals continues to provide an annual forum for researchers from industry, universities, and government laboratories to exchange information on recent developments in emerging bioprocessing technologies. As in the past, innovative processing concepts are stressed that are in the early stages of development. The meeting began with a session on Thermal, Chemical, and Biological Processing, followed by two sessions on Applied Biological Research. Next, topics in Bioengineering Research were presented, and a special session on Biotechnology, Bioengineering, and the Solution of Environmental Problems concluded the Twelfth Symposium. Both presentations and posters provided information exchange among meeting participants, and several discussion groups were organized to consider special topics of interest to the meeting participants. This paper presents a brief description of the discussions.

  4. Access and use of information resources in assessing health risks from chemical exposure: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    1990-12-31

    Health risk assessment is based on access to comprehensive information about potentially hazardous agents in question. Relevant information is scattered throughout the literature, and often is not readily accessible. To be useful in assessment efforts, emerging scientific findings, risk assess parameters, and associated data must be compiled and evaluated systemically. The US Environmental Protection Agency (EPA) and Oak Ridge National Laboratory (ORNL) are among the federal agencies heavily involved in this effort. This symposium was a direct response by EPA and ORNL to the expressed needs of individuals involved in assessing risks from chemical exposure. In an effort to examine the state of the risk assessment process, the availability of toxicological information, and the future development and transfer of this information, the symposium provided an excellent cadre of speakers and participants from state and federal agencies, academia and research laboratories to address these topics. This stimulating and productive gathering discussed concerns associated with (1) environmental contamination by chemicals; (2) laws regulating chemicals; (3) information needs and resources; (4) applications; (5) challenges and priorities; and (6)future issues. Individual reports are processed separately for the data bases.

  5. Comparison of diamond growth with different gas mixtures in microwave plasma asssited chemical vapor deposition (MWCVD

    Directory of Open Access Journals (Sweden)

    Corat Evaldo J.

    2003-01-01

    Full Text Available In this work we study the influence of oxygen addition to several halocarbon-hydrogen gas systems. Diamond growth have been performed in a high power density MWCVD reactor built in our laboratory. The growth experiments are monitored by argon actinometry as a reference to plasma temperature and atomic hydrogen production, and by mass spectrometry to compare the exhaust gas composition. Atomic hydrogen actinometry revealed that the halogen presence in the gas phase is responsible for a considerable increase of atomic hydrogen concentration in the gas phase. Mass spectrometry shows similar results for all gas mixtures tested. Growth studies with oxygen addition to CF4/H2, CCl4/H2, CCl2F2/H2 and CH3Cl/H2 reveals that oxygen increases the carbon solubility in the gas phase but no better diamond growth conditions were found. Halogens are not, per se, eligible for diamond growth. All the possible advantages, as the higher production of atomic hydrogen, have been suppressed by the low carbon solubility in the gas phase, even when oxygen is added. The diamond growth with small amount of CF4 added to CH4/H2 mixture is not aggressive to the apparatus but brings several advantages to the process.

  6. Endocrine-disrupting chemicals and oil and natural gas operations: Potential environmental contamination and recommendations to assess complex environmental mixtures

    Science.gov (United States)

    Kassotis, Christopher D.; Tillitt, Donald E.; Lin, Chung-Ho; McElroy, Jane A.; Nagel, Susan C.

    2015-01-01

    Background: Hydraulic fracturing technologies, developed over the last 65 years, have only recently been combined with horizontal drilling to unlock oil and gas reserves previously deemed inaccessible. While these technologies have dramatically increased domestic oil and natural gas production, they have also raised concerns for the potential contamination of local water supplies with the approximately 1,000 chemicals used throughout the process, including many known or suspected endocrine-disrupting chemicals.Objectives: We discuss the need for an endocrine component to health assessments for drilling-dense regions in the context of hormonal and anti-hormonal activities for chemicals used.Methods: We discuss the literature on 1) surface and ground water contamination by oil and gas extraction operations, and 2) potential human exposure, particularly in context of the total hormonal and anti-hormonal activities present in surface and ground water from natural and anthropogenic sources, with initial analytical results and critical knowledge gaps discussed.Discussion: In light of the potential for environmental release of oil and gas chemicals that can disrupt hormone receptor systems, we recommend methods for assessing complex hormonally active environmental mixtures.Conclusions: We describe a need for an endocrine-centric component for overall health assessments and provide supporting information that using this may help explain reported adverse health trends as well as help develop recommendations for environmental impact assessments and monitoring programs.

  7. Investigation of shock-induced and shock-assisted chemical reactions in molybdenum-silicon powder mixtures

    Science.gov (United States)

    Vandersall, Kevin Stewart

    1999-10-01

    In this research, chemical reactions occurring in molybdenum and silicon powder mixtures under "shock-induced" (those occurring during the high-pressure shock state) and "shock-assisted" (those occurring subsequent to the shock event, but due to bulk temperature increases) conditions were investigated. Differences in the densities and yield strengths of the two constituents, in addition to the large heat of reaction associated with molybdenum disilicide (MoSi2) formation can lead to shock-induced as well as shock-assisted reactions, which make this an ideal system to delineate the kinetics and mechanisms of reactions occurring in shock-compressed powder mixtures. Shock recovery experiments performed on Mo + 2 Si powder mixtures employing cylindrical implosion geometry showed thermally initiated reactions. A mixed phase eutectic type microstructure of MoSi2 and Mo 5Si3, resulting from reaction occurring due to melting of both reactants, was observed in axial regions of the cylindrical compacts. In regions surrounding the mach stem, melting of only silicon and reaction occurring via dissolution and re-precipitation forming MoSi2 spherules surrounding molybdenum particles in a melted and solidified silicon matrix was observed. The planar pressure shock recovery geometry showed a single phase MoSi2, microstructure formed due to a solid-state pressure-induced reaction process. The time-resolved instrumented experiments were performed using a single stage gas gun in the velocity range of 500 m/s to 1 km/s, and employed poly-vinyl di-flouride (PVDF) stress gauges placed at the front and rear surfaces of the powder to determine the crush strength, densification history, and reaction initiation threshold conditions. Time-resolved experiments performed on ˜58% dense Mo + 2 Si powder mixtures at input stresses less than 4 GPa, showed characteristics of powder densification and dispersed propagated wave stress profiles with rise time >˜40 nanoseconds. At input stress between

  8. Risk managment of complex aquifers contaminated by chemical mixtures : numerical tools and human health risk assessment

    OpenAIRE

    Henri, Christopher

    2015-01-01

    Human impact on groundwater resources has led to a rapid growth of social concerns worldwide owing to an increasing presence of toxic chemicals released in the subsurface. Risk assessment provides the scientific tool needed to quantify the actual thread that these potential hazards pose to human health. Specifically, risk analysis enables decision makers to answer: What can happen? How likely is it to happen? What can be the consequences? Risk assessment is in this context essential. However,...

  9. The Toxicology of Chemical Mixtures Risk Assessment for Human and Ecological Receptors

    Science.gov (United States)

    2005-10-01

    AGENCY NAME(S) AND ADDRESS(ES) 10. SPONSOR/MONITOR’S ACRONYM(S) kir Force Materiel Command*** HEPB kir Force Research Laboratory iuman Effectiveness... cancer slope factor) as are used for individual chemicals, so the calculations are relatively simple and familiar (U.S. EPA, 2000). Of course, the same...skin painting assays served as the short term assay; human lung cancer epidemiological data were available for roofing tar and coke oven emissions

  10. Long-term presence of tree species but not chemical diversity affect litter mixture effects on decomposition in a neotropical rainforest.

    Science.gov (United States)

    Barantal, Sandra; Roy, Jacques; Fromin, Nathalie; Schimann, Heidy; Hättenschwiler, Stephan

    2011-09-01

    Plant litter diversity effects on decomposition rates are frequently reported, but with a strong bias towards temperate ecosystems. Altered decomposition and nutrient recycling with changing litter diversity may be particularly important in tree species-rich tropical rainforests on nutrient-poor soils. Using 28 different mixtures of leaf litter from 16 Amazonian rainforest tree species, we tested the hypothesis that litter mixture effects on decomposition increase with increasing functional litter diversity. Litter mixtures and all single litter species were exposed in the field for 9 months using custom-made microcosms with soil fauna access. In order to test the hypothesis that the long-term presence of tree species contributing to the litter mixtures increases mixture effects on decomposition, microcosms were installed in a plantation at sites including the respective tree species composition and in a nearby natural forest where these tree species are absent. We found that mixture decomposition deviated from predictions based on single species, with predominantly synergistic effects. Functional litter diversity, defined as either richness, evenness, or divergence based on a wide range of chemical traits, did not explain the observed litter mixture effects. However, synergistic effects in litter mixtures increased with the long-term presence of tree species contributing to these mixtures as the home field advantage hypothesis assumes. Our data suggest that complementarity effects on mixed litter decomposition may emerge through long-term interactions between aboveground and belowground biota.

  11. BEHAVIOR OF SURFACTANT MIXTURES AT SOLID/LIQUID AND OIL/LIQUID INTERFACES IN CHEMICAL FLOODING SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Prof. P. Somasundaran

    2003-03-31

    The aim of the project is to develop a knowledge base to help with the design of enhanced process for mobilizing and extracting untrapped oil. We emphasize on evaluating novel surfactant mixtures and on obtaining optimum combinations of the surfactants in chemical flooding EOR process. An understanding of the micellar shape and size is crucial since these physical properties directly determine the crude oil removal efficiency. Analytical ultracentrifugation experiments were used to test the multi-micelle model proposed earlier and formulate the relationships between mixed micelle formation and the surfactant structure. Information on partial specific volume of surfactants and their mixtures is required to treat analytical ultracentrifuge data. In the last report, it was noted that the partial specific volumes of the sugar-based surfactants obtained experimentally did not agree with those from theoretical calculations. A scrutiny of partial specific volumes of the four sugar-based surfactants revealed that conformational changes upon micelle formation are responsible for the large deviation. From sedimentation equilibrium experiments, two types of micelles were identified for the nonionic polyethylene surfactant and its mixtures with the sugar-based surfactant, dodecyl maltoside. The average aggregation numbers of n-dodecyl-{beta}-D-maltoside and nonyl phenol ethoxylated decyl ether agreed with those reported in literature using other techniques. Our study displayed, for the first time, that small micelles might coexist with large micelles at high concentrations due to unique structures of the surfactant although classical thermodynamic theory supports only one type of micelle. Initial dynamic light scattering results support the results for the same mixed surfactant system from analytical ultracentrifuge equilibrium technique. The implication of this finding lies in the fact that efficiency of oil recovery will be improved due to the large micellar size, its

  12. Numerical simulation of CO2 separation from gas mixtures in membrane modules: Effect of chemical absorbent

    Directory of Open Access Journals (Sweden)

    Seyed Mohammad Reza Razavi

    2016-01-01

    Full Text Available In this study, a mathematical model is proposed for prediction of CO2 absorption from N2/CO2 mixture by potassium threonate in a hollow-fiber membrane contactor (HFMC. CFD technique using numerical method of finite element was applied to solve the governing equations of model. Effect of different factors on CO2 absorption was analyzed and for investigation of absorbent type effect, functioning of potassium threonate was compared with diethanolamine (DEA. Axial and radial diffusion can be described with the two dimensional model established in this work. The obtained simulation results were compared with the reported experimental data to ensure accuracy of the model predictions. Comparison of model results with experimental data revealed that the developed model can well predict CO2 capture by potassium threonate in HFMCs. Increment of absorbent flow rate and concentration eventuate in enhancement of CO2 absorption. On the other hand, capture of CO2 will be reduced with increment of gas flow rate. According to the model results, potassium threonate can be considered as a more efficient absorbent as compared with DEA.

  13. Adsorption of polyelectrolytes and polyelectrolytes-surfactant mixtures at surfaces: a physico-chemical approach to a cosmetic challenge.

    Science.gov (United States)

    Llamas, Sara; Guzmán, Eduardo; Ortega, Francisco; Baghdadli, Nawel; Cazeneuve, Colette; Rubio, Ramón G; Luengo, Gustavo S

    2015-08-01

    The use of polymer and polymer - surfactant mixtures for designing and developing textile and personal care cosmetic formulations is associated with various physico-chemical aspects, e.g. detergency and conditioning in the case of hair or wool, that determine their correct performances in preserving and improving the appearance and properties of the surface where they are applied. In this work, special attention is paid to the systems combining polycations and negatively charged surfactants. The paper introduces the hair surface and presents a comprehensive review of the adsorption properties of these systems at solid-water interfaces mimicking the negative charge and surface energy of hair. These model surfaces include mixtures of thiols that confer various charge densities to the surface. The kinetics and factors that govern the adsorption are discussed from the angle of those used in shampoos and conditioners developed by the cosmetic industry. Finally, systems able to adsorb onto negatively charged surfaces regardless of the anionic character are presented, opening new ways of depositing conditioning polymers onto keratin substrates such as hair.

  14. The capric and lauric acid mixture with chemical additives as latent heat storage materials for cooling application

    Energy Technology Data Exchange (ETDEWEB)

    Roxas-Dimaano, M.N. [University of Santo Tomas, Manila (Philippines). Research Center for the Natural Sciences; Watanabe, T. [Tokyo Institute of Technology (Japan). Research Laboratory for Nuclear Reactors

    2002-09-01

    The mixture of capric acid and lauric acid (C-L acid), with the respective mole composition of 65% and 35%, is a potential phase change material (PCM). Its melting point of 18.0{sup o}C, however, is considered high for cooling application of thermal energy storage. The thermophysical and heat transfer characteristics of the C-L acid with some organic additives are investigated. Compatibility of C-L acid combinations with additives in different proportions and their melting characteristics are analyzed using the differential scanning calorimeter (DSC). Among the chemical additives, methyl salicylate, eugenol, and cineole presented the relevant melting characteristics. The individual heat transfer behavior and thermal storage performance of 0.1 mole fraction of these additives in the C-L acid mixture are evaluated. The radial and axial temperature distribution during charging and discharging at different concentrations of selected PCM combinations are experimentally determined employing a vertical cylindrical shell and tube heat exchanger. The methyl salicylate in the C-L acid provided the most effective additive in the C-L acid. It demonstrated the least melting band width aimed at lowering the melting point of the C-L acid with the highest heat of fusion value with relatively comparable rate of heat transfer. Furthermore, the thermal performance based on the total amount of transferred energy and their rates, established the PCM's latent heat storage capability. (author)

  15. A DFT based equilibrium study of a chemical mixture Tachyhydrite and their lower hydrates for long term heat storage

    Science.gov (United States)

    Pathak, A. D.; Nedea, S. V.; Zondag, H. A.; Rindt, C. C. M.; Smeulders, D. M. J.

    2016-09-01

    Chloride based salt hydrates are promising materials for seasonal heat storage. However, hydrolysis, a side reaction, deteriorates, their cycle stability. To improve the kinetics and durability, we have investigated the optimum operating conditions of a chemical mixture of CaCl2 and MgCl2 hydrates. In this study, we apply a GGA-DFT to gain insight into the various hydrates of CaMg2Cl6. We have obtained the structural properties, atomic charges and vibrational frequencies of CaMg2Cl6 hydrates. The entropic contribution and the enthalpy change are quantified from ground state energy and harmonic frequencies. Subsequently, the change in the Gibbs free energy of thermolysis was obtained under a wide range of temperature and pressure. The equilibrium product concentration of thermolysis can be used to design the seasonal heat storage system under different operating conditions.

  16. The response of the polarized Fermi mixture to an artificial vector potential: The interaction strength and imbalance chemical potential effects

    Science.gov (United States)

    Ebrahimian, N.; Safiee, Z.

    2017-03-01

    We consider a polarized Fermi mixture (with normal-superfluid phase separation), subjected to artificial vector potential. We concentrate on the BCS regime with various interaction strengths and numerically obtain the polarisability of the system. We obtain the functional dependence of the polarisability of the system on frequency and the relevant physical parameters, namely the interaction strength, the mass ratio, the average and imbalance chemical potentials. Also, we find the special frequency (ωs), for which the rate of the response of system to the potential is changed and the cut-off frequency (ωcutoff), for which the response starts to become infinity. We investigate the behavior of the curves of polarisability versus proper physical parameters for ω physical parameters. Finally, the system's response can be controlled by relevant physical parameters, such as interaction strength.

  17. A probe on the intermolecular forces in diisopropyl ether-n-butyric acid mixture by dielectric, FTIR studies and quantum chemical calculations.

    Science.gov (United States)

    Arivazhagan, G; Shanmugam, R; Elangovan, A

    2013-03-15

    The results of FTIR spectral measurement on equimolar diisopropyl ether-butyric acid binary mixture and quantum chemical calculations on the complex molecule have been presented. Dielectric studies have been carried out on the binary mixture over the entire composition range and at four different temperatures 303 K, 308 K, 313 K and 318 K. n-Butyric acid seems to prefer less polar ether to interact with it. It appears that the usual interpretation of variation of static dielectric constant and positive deviation of excess permittivity from ideal mixture behavior needs to be relooked.

  18. General baseline toxicity QSAR for nonpolar, polar and ionisable chemicals and their mixtures in the bioluminescence inhibition assay with Aliivibrio fischeri.

    Science.gov (United States)

    Escher, Beate I; Baumer, Andreas; Bittermann, Kai; Henneberger, Luise; König, Maria; Kühnert, Christin; Klüver, Nils

    2017-02-15

    The Microtox assay, a bioluminescence inhibition assay with the marine bacterium Aliivibrio fischeri, is one of the most popular bioassays for assessing the cytotoxicity of organic chemicals, mixtures and environmental samples. Most environmental chemicals act as baseline toxicants in this short-term screening assay, which is typically run with only 30 min of exposure duration. Numerous Quantitative Structure-Activity Relationships (QSARs) exist for the Microtox assay for nonpolar and polar narcosis. However, typical water pollutants, which have highly diverse structures covering a wide range of hydrophobicity and speciation from neutral to anionic and cationic, are often outside the applicability domain of these QSARs. To include all types of environmentally relevant organic pollutants we developed a general baseline toxicity QSAR using liposome-water distribution ratios as descriptors. Previous limitations in availability of experimental liposome-water partition constants were overcome by reliable prediction models based on polyparameter linear free energy relationships for neutral chemicals and the COSMOmic model for charged chemicals. With this QSAR and targeted mixture experiments we could demonstrate that ionisable chemicals fall in the applicability domain. Most investigated water pollutants acted as baseline toxicants in this bioassay, with the few outliers identified as uncouplers or reactive toxicants. The main limitation of the Microtox assay is that chemicals with a high melting point and/or high hydrophobicity were outside of the applicability domain because of their low water solubility. We quantitatively derived a solubility cut-off but also demonstrated with mixture experiments that chemicals inactive on their own can contribute to mixture toxicity, which is highly relevant for complex environmental mixtures, where these chemicals may be present at concentrations below the solubility cut-off.

  19. Proceedings of the 8th workshop on plant mutation breeding. Effective use of physical/chemical mutagens

    Energy Technology Data Exchange (ETDEWEB)

    Kume, Tamikazu; Watanabe, Kazuo; Tano, Shigemitsu (eds.) [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

    2001-03-01

    The Workshop on Plant Mutation Breeding of FNCA (Forum for Nuclear Cooperation in Asia), was held on 9-13 October 2000 in Hanoi, Vietnam. The Workshop was co-sponsored by the Science and Technology Agency (STA), the Ministry of Science, Technology and Environment (MOSTE of Vietnam) and the Ministry of Agriculture and Rural Development (MARD of Vietnam) in cooperation with the Ministry of Agriculture, Forestry and Fisheries (MAFF), National Institute of Agrobiological Resources (NIAR of Vietnam), the Japan Atomic Industrial Forum (JAIF) and Japan Atomic Energy Research Institute (JAERI). Two Scientists, a Project Leader and an expert on methodology for plant/crop mutation breeding, participated from each of the member countries, i.e. China, Indonesia, Malaysia, the Philippines, Thailand, Vietnam and Japan. Also attending the Workshop were, one participant from Korea, seven participants from both Japan and Vietnam. The number of the participants in the Workshop totalled about sixty people including guests and observers. Sixteen papers including eight invited papers on the current status of methodology for plant/crop mutation breeding in the participating countries were presented. Discussions were focused on the subject concerning 'Effective Use of Physical/Chemical Mutagens', as well as a detailed report on the current status of research in each participating country. In addition, the topics of developing a mutant breeding database, an information exchange for plant/crop mutation breeding, and more tightly bound international co-operative research in the near future were also high on the agenda. This proceeding compiles the invited and contributed papers that were submitted from the speakers. (author)

  20. Kinetics of physico-chemical processes during intensive mechanical processing of ZnO-MnO{sub 2} powder mixture

    Energy Technology Data Exchange (ETDEWEB)

    Kakazey, M.; Vlasova, M.; Dominguez-Patino, M. [CIICAp-Universidad Autonoma del Estado de Morelos, Cuernavaca (Mexico); Juarez-Arellano, E.A., E-mail: eajuarez@unpa.edu.mx [Universidad del Papaloapan, Tuxtepec, Oaxaca (Mexico); Bykov, A. [Institute for Problems of Materials Science of NASU, Kyiv (Ukraine); Leon, I. [CIQ-Universidad Autonoma del Estado de Morelos, Cuernavaca (Mexico); Siqueiros-Diaz, A. [FCQI-Universidad Autonoma del Estado de Morelos, Cuernavaca (Mexico)

    2011-10-15

    Experimental results of electron paramagnetic resonance spectra, X-ray diffraction, scanning electron microscopy and infrared spectroscopy demonstrate that the kinetic of the physical and chemical processes that takes place during prolonged intensive mechanical processing (MP, 03120min) of powder mixtures of 50%wt ZnO+50%wt MnO{sub 2} can be described as a three stage process. (1) 030min, particles destruction, formation of superficial defects, fast increment of sample average temperature (from 290 to {approx}600K) and annealing of defects with the lowest energy of activation E{sub ac}. (2) 30390min, further particle destruction, slow increment of sample average temperature (from {approx}600 to {approx}700K), formation and growth of a very disordered layer of {beta}-MnO{sub 2} around ZnO particles, dehydration of MnO{sub 2}, formation of solid solution of Mn{sup 2+} ions in ZnO, formation of nano-quasiamorphous states in the ZnO-MnO{sub 2} mixture and onset of the formation of the ZnMnO{sub 3} phase. (3) 3903120min, the sample average temperature remains constant ({approx}700K), the reaction is completed and the spinel ZnMnO{sub 3} phase with a unit cell a=8.431(1) A and space group Fd3-barm is the only phase present in the sample. No ferromagnetism at room temperature was detected in this study. - Highlights: > The kinetics during mechanical processing of ZnO-MnO{sub 2} samples is a three stage process. > First stage, reduction of crystallites size and accumulation of defects. > Second stage, nano-quasiamorphous states formation and onset of the ZnMnO{sub 3} phase. > Third stage, complete reaction to the spinel ZnMnO{sub 3} phase.

  1. BEHAVIOR OF SURFACTANT MIXTURES AT SOLID/LIQUID AND OIL/LIQUID INTERFACES IN CHEMICAL FLOODING SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    P. Somasundaran

    2004-11-20

    The aim of the project is to develop a knowledge base to help the design of enhanced processes for mobilizing and extracting untrapped oil. We emphasize evaluation of novel surfactant mixtures and obtaining optimum combinations of the surfactants for efficient chemical flooding EOR processes. In this regard, an understanding of the aggregate shape, size and structure is crucial since these properties govern the crude oil removal efficiency. During the three-year period, the adsorption and aggregation behavior of sugar-based surfactants and their mixtures with other types of surfactants have been studied. Sugar-based surfactants are made from renewable resources, nontoxic and biodegradable. They are miscible with water and oil. These environmentally benign surfactants feature high surface activity, good salinity, calcium and temperature tolerance, and unique adsorption behavior. They possess the characteristics required for oil flooding surfactants and have the potential for replacing currently used surfactants in oil recovery. A novel analytical ultracentrifugation technique has been successfully employed for the first time, to characterize the aggregate species present in mixed micellar solution due to its powerful ability to separate particles based on their size and shape and monitor them simultaneously. Analytical ultracentrifugation offers an unprecedented opportunity to obtain important information on mixed micelles, structure-performance relationship for different surfactant aggregates in solution and their role in interfacial processes. Initial sedimentation velocity investigations were conducted using nonyl phenol ethoxylated decyl ether (NP-10) to choose the best analytical protocol, calculate the partial specific volume and obtain information on sedimentation coefficient, aggregation mass of micelles. Four softwares: OptimaTM XL-A/XL-I data analysis software, DCDT+, Svedberg and SEDFIT, were compared for the analysis of sedimentation velocity

  2. BEHAVIOR OF SURFACTANT MIXTURE AT SOLID/LIQUID AND OIL/LIQUID INTERFACE IN CHEMICAL FLOODING SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Prof. P. Somasundaran

    2002-03-01

    The aim of the project is to develop and evaluate efficient novel surfactant mixtures for enhanced oil recovery. Preliminary ultra-filtration tests suggest that two kinds of micelles may exist in binary surfactant mixtures at different concentrations. Due to the important role played in interfacial processes by micelles as determined by their structures, focus of the current work is on the delineation of the relationship between such aggregate structures and chemical compositions of the surfactants. A novel analytical centrifuge application is explored to generate information on structures of different surfactants aggregates. In this report, optical systems, typical output of the analytical ultracentrifuge results and four basic experiments are discussed. Initial sedimentation velocity investigations were conducted using nonyl phenol ethoxylated decyl ether (NP-10) to choose the best analytical protocol, calculate the partial specific volume and obtain information on sedimentation coefficient, aggregation mass of micelles. The partial specific volume was calculated to be 0.920. Four softwares: Optima{trademark} XL-A/XL-I data analysis software, DCDT+, Svedberg and SEDFIT, were compared for the analysis of sedimentation velocity experimental data. The sedimentation coefficient and aggregation number of NP-10 micelles obtained using the first three softwares at 25 C are 209, 127, and 111, respectively. The last one is closest to the result from Light Scattering. The reason for the differences in numbers obtained using the three softwares is discussed. Based on these tests, Svedberg and SEDFIT analysis are chosen for further studies. This approach using the analytical ultracentrifugation offers an unprecedented opportunity now to obtain important information on mixed micelles and their role in interfacial processes.

  3. Design Concepts for Co-Production of Power, Fuels & Chemicals Via Coal/Biomass Mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Rao, A. D.; Chen, Q.; Samuelsen, G. S.

    2012-09-30

    The overall goal of the program is to develop design concepts, incorporating advanced technologies in areas such as oxygen production, feed systems, gas cleanup, component separations and gas turbines, for integrated and economically viable coal and biomass fed gasification facilities equipped with carbon capture and storage for the following scenarios: (i) coproduction of power along with hydrogen, (ii) coproduction of power along with fuels, (iii) coproduction of power along with petrochemicals, and (iv) coproduction of power along with agricultural chemicals. To achieve this goal, specifically the following objectives are met in this proposed project: (i) identify advanced technology options and innovative preliminary design concepts that synergistically integrate plant subsections, (ii) develop steady state system simulations to predict plant efficiency and environmental signature, (iii) develop plant cost estimates by capacity factoring major subsystems or by major equipment items where required, and then capital, operating and maintenance cost estimates, and (iv) perform techno- economic analyses for the above described coproduction facilities. Thermal efficiencies for the electricity only cases with 90% carbon capture are 38.26% and 36.76% (HHV basis) with the bituminous and the lignite feedstocks respectively. For the coproduction cases (where 50% of the energy exported is in the form of electricity), the electrical efficiency, as expected, is highest for the hydrogen coproduction cases while lowest for the higher alcohols (ethanol) coproduction cases. The electrical efficiencies for Fischer-Tropsch coproduction cases are slightly higher than those for the methanol coproduction cases but it should be noted that the methanol (as well as the higher alcohol) coproduction cases produce the finished coproduct while the Fischer-Tropsch coproduction cases produce a coproduct that requires further processing in a refinery. The cross comparison of the thermal

  4. Mixture effects at very low doses with combinations of anti-androgenic pesticides, antioxidants, industrial pollutant and chemicals used in personal care products

    Energy Technology Data Exchange (ETDEWEB)

    Orton, Frances; Ermler, Sibylle; Kugathas, Subramaniam [Institute for the Environment, Brunel University, Kingston Lane, Uxbridge UB8 3PH (United Kingdom); Rosivatz, Erika [Institute of Chemical Biology, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Scholze, Martin [Institute for the Environment, Brunel University, Kingston Lane, Uxbridge UB8 3PH (United Kingdom); Kortenkamp, Andreas, E-mail: andreas.kortenkamp@brunel.ac.uk [Institute for the Environment, Brunel University, Kingston Lane, Uxbridge UB8 3PH (United Kingdom)

    2014-08-01

    Many xenobiotics have been identified as in vitro androgen receptor (AR) antagonists, but information about their ability to produce combined effects at low concentrations is missing. Such data can reveal whether joint effects at the receptor are induced at low levels and may support the prioritisation of in vivo evaluations and provide orientations for the grouping of anti-androgens in cumulative risk assessment. Combinations of 30 AR antagonists from a wide range of sources and exposure routes (pesticides, antioxidants, parabens, UV-filters, synthetic musks, bisphenol-A, benzo(a)pyrene, perfluorooctane sulfonate and pentabromodiphenyl ether) were tested using a reporter gene assay (MDA-kb2). Chemicals were combined at three mixture ratios, equivalent to single components' effect concentrations that inhibit the action of dihydrotesterone by 1%, 10% or 20%. Concentration addition (CA) and independent action were used to calculate additivity expectations. We observed complete suppression of dihydrotestosterone effects when chemicals were combined at individual concentrations eliciting 1%, 10% or 20% AR antagonistic effect. Due to the large number of mixture components, the combined AR antagonistic effects occurred at very low concentrations of individual mixture components. CA slightly underestimated the combined effects at all mixture ratios. In conclusion, large numbers of AR antagonists from a wide variety of sources and exposure routes have the ability of acting together at the receptor to produce joint effects at very low concentrations. Significant mixture effects are observed when chemicals are combined at concentrations that individually do not induce observable AR antagonistic effects. Cumulative risk assessment for AR antagonists should apply grouping criteria based on effects where data are available, rather than on criteria of chemical similarity. - Highlights: • Mixtures of AR antagonists at low individual concentrations cause complete inhibition

  5. PACKAGE (Plasma Analysis, Chemical Kinetics and Generator Efficiency): a computer program for the calculation of partial chemical equilibrium/partial chemical rate controlled composition of multiphased mixtures under one dimensional steady flow

    Energy Technology Data Exchange (ETDEWEB)

    Yousefian, V.; Weinberg, M.H.; Haimes, R.

    1980-02-01

    The NASA CEC Code was the starting point for PACKAGE, whose function is to evaluate the composition of a multiphase combustion product mixture under the following chemical conditions: (1) total equilibrium with pure condensed species; (2) total equilibrium with ideal liquid solution; (3) partial equilibrium/partial finite rate chemistry; and (4) fully finite rate chemistry. The last three conditions were developed to treat the evolution of complex mixtures such as coal combustion products. The thermodynamic variable pairs considered are either pressure (P) and enthalpy, P and entropy, at P and temperature. Minimization of Gibbs free energy is used. This report gives detailed discussions of formulation and input/output information used in the code. Sample problems are given. The code development, description, and current programming constraints are discussed. (DLC)

  6. Chemical and structural analysis of enhanced biochars: thermally treated mixtures of biochar, chicken litter, clay and minerals.

    Science.gov (United States)

    Lin, Y; Munroe, P; Joseph, S; Ziolkowski, A; van Zwieten, L; Kimber, S; Rust, J

    2013-03-01

    In this study biochar mixtures comprising a Jarrah-based biochar, chicken litter (CL), clay and other minerals were thermally treated, via torrefaction, at moderate temperatures (180 and 220 °C). The objectives of this treatment were to reduce N losses from CL during processing and to determine the effect of both the type of added clay and the torrefaction temperature on the structural and chemical properties of the final product, termed as an enhanced biochar (EB). Detailed characterisation indicated that the EBs contained high concentrations of plant available nutrients. Both the nutrient content and plant availability were affected by torrefaction temperature. The higher temperature (220 °C) promoted the greater decomposition of organic matter in the CL and dissociated labile carbon from the Jarrah-based biochar, which produced a higher concentration of dissolved organic carbon (DOC). This DOC may assist to solubilise mineral P, and may also react with both clay and minerals to block active sites for P adsorption. This subsequently resulted in higher concentrations of plant available P. Nitrogen loss was minimised, with up to 73% of the initial total N contained in the feedstock remaining in the final EB. However, N availability was affected by both torrefaction temperature and the nature of the clay minerals added.

  7. Screening estrogenic activities of chemicals or mixtures in vivo using transgenic (cyp19a1b-GFP zebrafish embryos.

    Directory of Open Access Journals (Sweden)

    François Brion

    Full Text Available The tg(cyp19a1b-GFP transgenic zebrafish expresses GFP (green fluorescent protein under the control of the cyp19a1b gene, encoding brain aromatase. This gene has two major characteristics: (i it is only expressed in radial glial progenitors in the brain of fish and (ii it is exquisitely sensitive to estrogens. Based on these properties, we demonstrate that natural or synthetic hormones (alone or in binary mixture, including androgens or progestagens, and industrial chemicals induce a concentration-dependent GFP expression in radial glial progenitors. As GFP expression can be quantified by in vivo imaging, this model presents a very powerful tool to screen and characterize compounds potentially acting as estrogen mimics either directly or after metabolization by the zebrafish embryo. This study also shows that radial glial cells that act as stem cells are direct targets for a large panel of endocrine disruptors, calling for more attention regarding the impact of environmental estrogens and/or certain pharmaceuticals on brain development. Altogether these data identify this in vivo bioassay as an interesting alternative to detect estrogen mimics in hazard and risk assessment perspective.

  8. Screening estrogenic activities of chemicals or mixtures in vivo using transgenic (cyp19a1b-GFP) zebrafish embryos.

    Science.gov (United States)

    Brion, François; Le Page, Yann; Piccini, Benjamin; Cardoso, Olivier; Tong, Sok-Keng; Chung, Bon-chu; Kah, Olivier

    2012-01-01

    The tg(cyp19a1b-GFP) transgenic zebrafish expresses GFP (green fluorescent protein) under the control of the cyp19a1b gene, encoding brain aromatase. This gene has two major characteristics: (i) it is only expressed in radial glial progenitors in the brain of fish and (ii) it is exquisitely sensitive to estrogens. Based on these properties, we demonstrate that natural or synthetic hormones (alone or in binary mixture), including androgens or progestagens, and industrial chemicals induce a concentration-dependent GFP expression in radial glial progenitors. As GFP expression can be quantified by in vivo imaging, this model presents a very powerful tool to screen and characterize compounds potentially acting as estrogen mimics either directly or after metabolization by the zebrafish embryo. This study also shows that radial glial cells that act as stem cells are direct targets for a large panel of endocrine disruptors, calling for more attention regarding the impact of environmental estrogens and/or certain pharmaceuticals on brain development. Altogether these data identify this in vivo bioassay as an interesting alternative to detect estrogen mimics in hazard and risk assessment perspective.

  9. Prediction of mixture toxicity from the hormesis of a single chemical: A case study of combinations of antibiotics and quorum-sensing inhibitors with gram-negative bacteria.

    Science.gov (United States)

    Wang, Ting; Wang, Dali; Lin, Zhifen; An, Qingqing; Yin, Chunsheng; Huang, Qinghui

    2016-05-01

    The 50% effect level of a single chemical in the real environment is almost impossible to determine at the low exposure concentration, and the prediction of the concentration of a mixture at the 50% effect level from the concentration of a single chemical at the low effect level is even more difficult. The current literature does not address this problem. Thus, to determine solutions for this question, single/mixture chronic toxicities of sulfonamides (SAs) and quorum-sensing inhibitors (QSIs) were determined using Gram-negative bacteria (Vibrio fischeri and E. coli.) and Gram-positive bacteria (B. subtilis) as the target organisms. The results showed that the joint effects of SAs and QSIs were primarily antagonistic responses. In addition, the toxicity mechanisms of mixtures of SAs and QSIs were investigated further, and the results revealed that the chronic joint effects were primarily an antagonistic response due to the QSI competing against acyl-homoserine lactones (AHL) for luxR in V. fischeri and SdiA in E. coli generated by the SAs, leading to negative effects exerted by the QSI-luxR or QSI-SdiA complexes on luxI in V. fischeri or FtsZ in E. coli. This phenomenon eventually weakened the stimulatory effect caused by the SAs. Based on the mixture toxicity mechanism, the relationship between the mixture toxicity and the simulation effect was formulated.

  10. Using molecular docking between organic chemicals and lipid membrane to revise the well known octanol-water partition coefficient of the mixture.

    Science.gov (United States)

    Wang, Ting; Zhou, Xianghong; Wang, Dali; Yin, Daqiang; Lin, Zhifen

    2012-07-01

    The octanol-water partition coefficient of a mixture has been widely used to predict the baseline toxicity of non-polar narcotic chemical mixtures, since toxic effects are usually generated by multiple mixtures. However, it remains unclear whether the validity of log Kowmix can be demonstrated, because experimental methods cannot be used to determine this parameter. The invalidity and the further revision of log Kowmix were therefore studied by using molecular docking between non-polar narcotic chemicals and lipid membrane (E(binding)). The results show E(binding) is a feasible substitute parameter for log Kow because their relationship is linear. Based on a molecular docking and QSAR model, a new calculated method of log Kowmix was proposed as follows: log(Kowmix)=∑x(i)log Kowi. Comparison of this new method with the established methods demonstrates the invalidity of the latter, and therefore the former is suggested to be used to calculate the log Kowmix of organic chemical mixtures.

  11. Toxicity of proton-metal mixtures in the field: Linking stream macroinvertebrate species diversity to chemical speciation and bioavailability

    Energy Technology Data Exchange (ETDEWEB)

    Stockdale, Anthony [Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom); Tipping, Edward, E-mail: et@ceh.ac.uk [Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom); Lofts, Stephen [Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom); Ormerod, Stephen J. [Catchment Research Group, Cardiff School of Biosciences, Cardiff University, Cardiff CF10 3US (United Kingdom); Clements, William H. [Department of Fish, Wildlife, and Conservation Biology, Colorado State University, Fort Collins, CO 80523 (United States); Blust, Ronny [Ecophysiology, Biochemistry and Toxicology Group, Department of Biology, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium)

    2010-10-01

    Understanding metal and proton toxicity under field conditions requires consideration of the complex nature of chemicals in mixtures. Here, we demonstrate a novel method that relates streamwater concentrations of cationic metallic species and protons to a field ecological index of biodiversity. The model WHAM-F{sub TOX} postulates that cation binding sites of aquatic macroinvertebrates can be represented by the functional groups of natural organic matter (humic acid), as described by the Windermere Humic Aqueous Model (WHAM6), and supporting field evidence is presented. We define a toxicity function (F{sub TOX}) by summing the products: (amount of invertebrate-bound cation) x (cation-specific toxicity coefficient, {alpha}{sub i}). Species richness data for Ephemeroptera, Plecoptera and Trichoptera (EPT), are then described with a lower threshold of F{sub TOX}, below which all organisms are present and toxic effects are absent, and an upper threshold above which organisms are absent. Between the thresholds the number of species declines linearly with F{sub TOX}. We parameterised the model with chemistry and EPT data for low-order streamwaters affected by acid deposition and/or abandoned mines, representing a total of 412 sites across three continents. The fitting made use of quantile regression, to take into account reduced species richness caused by (unknown) factors other than cation toxicity. Parameters were derived for the four most common or abundant cations, with values of {alpha}{sub i} following the sequence (increasing toxicity) H{sup +} < Al < Zn < Cu. For waters affected mainly by H{sup +} and Al, F{sub TOX} shows a steady decline with increasing pH, crossing the lower threshold near to pH 7. Competition effects among cations mean that toxicity due to Cu and Zn is rare at lower pH values, and occurs mostly between pH 6 and 8.

  12. The influence of the "cage" effect on the mechanism of reversible bimolecular multistage chemical reactions proceeding from different sites in solutions.

    Science.gov (United States)

    Doktorov, Alexander B

    2016-08-28

    Manifestations of the "cage" effect at the encounters of reactants have been theoretically treated on the example of multistage reactions (including bimolecular exchange reactions as elementary stages) proceeding from different active sites in liquid solutions. It is shown that for reactions occurring near the contact of reactants, consistent consideration of quasi-stationary kinetics of such multistage reactions (possible in the framework of the encounter theory only) can be made on the basis of chemical concepts of the "cage complex," just as in the case of one-site model described in the literature. Exactly as in the one-site model, the presence of the "cage" effect gives rise to new channels of reactant transformation that cannot result from elementary event of chemical conversion for the given reaction mechanism. Besides, the multisite model demonstrates new (as compared to one-site model) features of multistage reaction course.

  13. Steady detonation waves via the Boltzmann equation for a reacting mixture

    CERN Document Server

    Conforto, F; Schürrer, F; Ziegler, I

    2003-01-01

    Based on the Boltzmann equation, the detonation problem is dealt with on a mesoscopic level. The model is based on the assumption that ahead of a shock an explosive gas mixture is in meta stable equilibrium. Starting from the Von Neumann point the chemical reaction, initiated by the pressure jump, proceeds until the chemical equilibrium is reached. Numerical solutions of the derived macroscopic equations as well as the corresponding Hugoniot diagrams which reveal the physical relevance of the mathematical model are provided.

  14. Adverse Reproductive and Developmental Health Outcomes Following Prenatal Exposure to a Hydraulic Fracturing Chemical Mixture in Female C57Bl/6 Mice.

    Science.gov (United States)

    Kassotis, Christopher D; Bromfield, John J; Klemp, Kara C; Meng, Chun-Xia; Wolfe, Andrew; Zoeller, R Thomas; Balise, Victoria D; Isiguzo, Chiamaka J; Tillitt, Donald E; Nagel, Susan C

    2016-09-01

    Unconventional oil and gas operations using hydraulic fracturing can contaminate surface and groundwater with endocrine-disrupting chemicals. We have previously shown that 23 of 24 commonly used hydraulic fracturing chemicals can activate or inhibit the estrogen, androgen, glucocorticoid, progesterone, and/or thyroid receptors in a human endometrial cancer cell reporter gene assay and that mixtures can behave synergistically, additively, or antagonistically on these receptors. In the current study, pregnant female C57Bl/6 dams were exposed to a mixture of 23 commonly used unconventional oil and gas chemicals at approximately 3, 30, 300, and 3000 μg/kg·d, flutamide at 50 mg/kg·d, or a 0.2% ethanol control vehicle via their drinking water from gestational day 11 through birth. This prenatal exposure to oil and gas operation chemicals suppressed pituitary hormone concentrations across experimental groups (prolactin, LH, FSH, and others), increased body weights, altered uterine and ovary weights, increased heart weights and collagen deposition, disrupted folliculogenesis, and other adverse health effects. This work suggests potential adverse developmental and reproductive health outcomes in humans and animals exposed to these oil and gas operation chemicals, with adverse outcomes observed even in the lowest dose group tested, equivalent to concentrations reported in drinking water sources. These endpoints suggest potential impacts on fertility, as previously observed in the male siblings, which require careful assessment in future studies.

  15. Use of pruned computational neural networks for processing the response of oscillating chemical reactions with a view to analyzing nonlinear multicomponent mixtures.

    Science.gov (United States)

    Hervás, C; Toledo, R; Silva, M

    2001-01-01

    The suitability of pruned computational neural networks (CNNs) for resolving nonlinear multicomponent systems involving synergistic effects by use of oscillating chemical reaction-based methods implemented using the analyte pulse perturbation technique is demonstrated. The CNN input data used for this purpose are estimates provided by the Levenberg-Marquardt method in the form of a three-parameter Gaussian curve associated with the singular profile obtained when the oscillating system is perturbed by an analyte mixture. The performance of the proposed method was assessed by applying it to the resolution of mixtures of pyrogallol and gallic acid based on their perturbating effect on a classical oscillating chemical system, viz. the Belousov-Zhabotinskyi reaction. A straightforward network topology (3:3:2, with 18 connections after pruning) allowed the resolution of mixtures of the two analytes in concentration ratios from 1:7 to 6:2 with a standard error of prediction for the testing set of 4.01 and 8.98% for pyrogallol and gallic acid, respectively. The reduced dimensions of the selected CNN architecture allowed a mathematical transformation of the input vector into the output one that can be easily implemented via software. Finally, the suitability of response surface analysis as an alternative to CNNs was also tested. The results were poor (relative errors were high), which confirms that properly selected pruned CNNs are effective tools for solving the analytical problem addressed in this work.

  16. BEHAVIOR OF SURFACTANT MIXTURES AT SOLID/LIQUID AND OIL/LIQUID INTERFACES IN CHEMICAL FLOODING SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Prof. P. Somasundaran

    2002-09-30

    The aim of the project is to develop and evaluate efficient novel surfactant mixtures for enhanced oil recovery. Surfactant loss by adsorption or precipitation depends to a great extent on the type of surfactant complexes and aggregates formed. Such information as well as techniques to generate the information is lacking currently particularly for surfactant mixtures and surfactant/polymer systems. A novel analytical centrifuge application is explored during the last period to generate information on structures-performance relationship for different surfactant aggregates in solution and, in turn, at interfaces. To use analytical untracentrifuge for surfactant mixtures, information on partial specific volumes of single surfactants and their mixtures is required. Towards this purpose, surface tension and density measurements were performed to determine critical micellar concentrations (cmc), partial specific volumes of n-dodecyl-{beta}-Dmaltoside (DM), nonyl phenol ethoxylated decyl ether (NP-10) and their 1:1 mixtures at 25 C. Durchschlag's theoretical calculation method was adopted to calculate the partial specific volumes. Effects of temperature and mixing, as well as methods used for estimation on micellization and partial specific volumes were studied during the current period. Surface tension results revealed no interaction between the two surfactants in mixed micelles. Partial specific volume measurements also indicated no interaction in mixed micelles. Maximum adsorption density, area per molecule and free energy of micellization were also calculated. Partial specific volumes were estimated by two experimental methods: d{sub {rho}}/dc and V{sub {sigma}}. The difference between the results of using the two methods is within 0.5% deviation. It was found that the partial specific volume is concentration dependent and sensitive to changes in temperature. The information generated in this study will be used for the study of surfactant aggregate mass

  17. An in vivo animal study assessing long-term changes in hypothalamic cytokines following perinatal exposure to a chemical mixture based on Arctic maternal body burden

    Directory of Open Access Journals (Sweden)

    Li Nanqin

    2011-07-01

    Full Text Available Abstract Background The geographic distribution of environmental toxins is generally not uniform, with certain northern regions showing a particularly high concentration of pesticides, heavy metals and persistent organic pollutants. For instance, Northern Canadians are exposed to high levels of persistent organic pollutants like polychlorinated biphenyls (PCB, organochlorine pesticides (OCs and methylmercury (MeHg, primarily through country foods. Previous studies have reported associations between neuronal pathology and exposure to such toxins. The present investigation assessed whether perinatal exposure (gestation and lactation of rats to a chemical mixture (27 constituents comprised of PCBs, OCs and MeHg based on Arctic maternal exposure profiles at concentrations near human exposure levels, would affect brain levels of several inflammatory cytokines Methods Rats were dosed during gestation and lactation and cytokine levels were measured in the brains of offspring at five months of age. Hypothalamic cytokine protein levels were measured with a suspension-based array system and differences were determined using ANOVA and post hoc statistical tests. Results The early life PCB treatment alone significantly elevated hypothalamic interleukin-6 (IL-6 levels in rats at five months of age to a degree comparable to that of the entire chemical mixture. Similarly, the full mixture (and to a lesser degree PCBs alone elevated levels of the pro-inflammatory cytokine, IL-1b, as well as the anti-inflammatory cytokine, IL-10. The full mixture of chemicals also moderately increased (in an additive fashion hypothalamic levels of the pro-inflammatory cytokines, IL-12 and tumor necrosis factor (TNF-α. Challenge with bacterial endotoxin at adulthood generally increased hypothalamic levels to such a degree that differences between the perinatally treated chemical groups were no longer detectable. Conclusions These data suggest that exposure at critical

  18. The Effect of Molecular Conformation on the Accuracy of Theoretical (1)H and (13)C Chemical Shifts Calculated by Ab Initio Methods for Metabolic Mixture Analysis.

    Science.gov (United States)

    Chikayama, Eisuke; Shimbo, Yudai; Komatsu, Keiko; Kikuchi, Jun

    2016-04-14

    NMR spectroscopy is a powerful method for analyzing metabolic mixtures. The information obtained from an NMR spectrum is in the form of physical parameters, such as chemical shifts, and construction of databases for many metabolites will be useful for data interpretation. To increase the accuracy of theoretical chemical shifts for development of a database for a variety of metabolites, the effects of sets of conformations (structural ensembles) and the levels of theory on computations of theoretical chemical shifts were systematically investigated for a set of 29 small molecules in the present study. For each of the 29 compounds, 101 structures were generated by classical molecular dynamics at 298.15 K, and then theoretical chemical shifts for 164 (1)H and 123 (13)C atoms were calculated by ab initio quantum chemical methods. Six levels of theory were used by pairing Hartree-Fock, B3LYP (density functional theory), or second order Møller-Plesset perturbation with 6-31G or aug-cc-pVDZ basis set. The six average fluctuations in the (1)H chemical shift were ±0.63, ± 0.59, ± 0.70, ± 0.62, ± 0.75, and ±0.66 ppm for the structural ensembles, and the six average errors were ±0.34, ± 0.27, ± 0.32, ± 0.25, ± 0.32, and ±0.25 ppm. The results showed that chemical shift fluctuations with changes in the conformation because of molecular motion were larger than the differences between computed and experimental chemical shifts for all six levels of theory. In conclusion, selection of an appropriate structural ensemble should be performed before theoretical chemical shift calculations for development of an accurate database for a variety of metabolites.

  19. Differentiation of Chemical Components in a Binary Solvent Vapor Mixture Using Carbon/Polymer Composite-Based Chemiresistors

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Sanjay V.; Jenkins, Mark W.; Hughes, Robert C.; Yelton, W. Graham; Ricco, Antonio J.

    1999-07-19

    We demonstrate a ''universal solvent sensor'' constructed from a small array of carbon/polymer composite chemiresistors that respond to solvents spanning a wide range of Hildebrand volubility parameters. Conductive carbon particles provide electrical continuity in these composite films. When the polymer matrix absorbs solvent vapors, the composite film swells, the average separation between carbon particles increases, and an increase in film resistance results, as some of the conduction pathways are broken. The adverse effects of contact resistance at high solvent concentrations are reported. Solvent vapors including isooctane, ethanol, dlisopropyhnethylphosphonate (DIMP), and water are correctly identified (''classified'') using three chemiresistors, their composite coatings chosen to span the full range of volubility parameters. With the same three sensors, binary mixtures of solvent vapor and water vapor are correctly classified, following classification, two sensors suffice to determine the concentrations of both vapor components. Polyethylene vinylacetate and polyvinyl alcohol (PVA) are two such polymers that are used to classify binary mixtures of DIMP with water vapor; the PVA/carbon-particle-composite films are sensitive to less than 0.25{degree}A relative humidity. The Sandia-developed VERI (Visual-Empirical Region of Influence) technique is used as a method of pattern recognition to classify the solvents and mixtures and to distinguish them from water vapor. In many cases, the response of a given composite sensing film to a binary mixture deviates significantly from the sum of the responses to the isolated vapor components at the same concentrations. While these nonlinearities pose significant difficulty for (primarily) linear methods such as principal components analysis, VERI handles both linear and nonlinear data with equal ease. In the present study the maximum speciation accuracy is achieved by an array

  20. Screening Estrogenic Activities of Chemicals or Mixtures In Vivo Using Transgenic (cyp19a1b-GFP) Zebrafish Embryos

    OpenAIRE

    François Brion; Yann Le Page; Benjamin Piccini; Olivier Cardoso; Sok-Keng Tong; Bon-chu Chung; Olivier Kah

    2012-01-01

    International audience; The tg(cyp19a1b-GFP) transgenic zebrafish expresses GFP (green fluorescent protein) under the control of the cyp19a1b gene, encoding brain aromatase. This gene has two major characteristics: (i) it is only expressed in radial glial progenitors in the brain of fish and (ii) it is exquisitely sensitive to estrogens. Based on these properties, we demonstrate that natural or synthetic hormones (alone or in binary mixture), including androgens or progestagens, and industria...

  1. Assessing the carcinogenic potential of low-dose exposures to chemical mixtures in the environment: focus on the cancer hallmark of tumor angiogenesis.

    Science.gov (United States)

    Hu, Zhiwei; Brooks, Samira A; Dormoy, Valérian; Hsu, Chia-Wen; Hsu, Hsue-Yin; Lin, Liang-Tzung; Massfelder, Thierry; Rathmell, W Kimryn; Xia, Menghang; Al-Mulla, Fahd; Al-Temaimi, Rabeah; Amedei, Amedeo; Brown, Dustin G; Prudhomme, Kalan R; Colacci, Annamaria; Hamid, Roslida A; Mondello, Chiara; Raju, Jayadev; Ryan, Elizabeth P; Woodrick, Jordan; Scovassi, A Ivana; Singh, Neetu; Vaccari, Monica; Roy, Rabindra; Forte, Stefano; Memeo, Lorenzo; Salem, Hosni K; Lowe, Leroy; Jensen, Lasse; Bisson, William H; Kleinstreuer, Nicole

    2015-06-01

    One of the important 'hallmarks' of cancer is angiogenesis, which is the process of formation of new blood vessels that are necessary for tumor expansion, invasion and metastasis. Under normal physiological conditions, angiogenesis is well balanced and controlled by endogenous proangiogenic factors and antiangiogenic factors. However, factors produced by cancer cells, cancer stem cells and other cell types in the tumor stroma can disrupt the balance so that the tumor microenvironment favors tumor angiogenesis. These factors include vascular endothelial growth factor, endothelial tissue factor and other membrane bound receptors that mediate multiple intracellular signaling pathways that contribute to tumor angiogenesis. Though environmental exposures to certain chemicals have been found to initiate and promote tumor development, the role of these exposures (particularly to low doses of multiple substances), is largely unknown in relation to tumor angiogenesis. This review summarizes the evidence of the role of environmental chemical bioactivity and exposure in tumor angiogenesis and carcinogenesis. We identify a number of ubiquitous (prototypical) chemicals with disruptive potential that may warrant further investigation given their selectivity for high-throughput screening assay targets associated with proangiogenic pathways. We also consider the cross-hallmark relationships of a number of important angiogenic pathway targets with other cancer hallmarks and we make recommendations for future research. Understanding of the role of low-dose exposure of chemicals with disruptive potential could help us refine our approach to cancer risk assessment, and may ultimately aid in preventing cancer by reducing or eliminating exposures to synergistic mixtures of chemicals with carcinogenic potential.

  2. Chemical imaging techniques for the analysis of complex mixtures: New application to the characterization of ritual matters on African wooden statuettes

    Energy Technology Data Exchange (ETDEWEB)

    Mazel, Vincent [Centre de Recherche et de Restauration des musees de France (C2RMF), CNRS UMR 171, Palais du Louvre, Porte des Lions 14, quai Francois Mitterrand, 75001 Paris (France); Richardin, Pascale [Centre de Recherche et de Restauration des musees de France (C2RMF), CNRS UMR 171, Palais du Louvre, Porte des Lions 14, quai Francois Mitterrand, 75001 Paris (France)]. E-mail: pascale.richardin@culture.gouv.fr; Touboul, David [Laboratoire de Spectrometrie de Masse, Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Avenue de la Terrasse, 91198 Gif-sur-Yvette (France); Brunelle, Alain [Laboratoire de Spectrometrie de Masse, Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Avenue de la Terrasse, 91198 Gif-sur-Yvette (France); Walter, Philippe [Centre de Recherche et de Restauration des musees de France (C2RMF), CNRS UMR 171, Palais du Louvre, Porte des Lions 14, quai Francois Mitterrand, 75001 Paris (France); Laprevote, Olivier [Laboratoire de Spectrometrie de Masse, Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Avenue de la Terrasse, 91198 Gif-sur-Yvette (France)

    2006-06-07

    Chemical imaging techniques, based on the combination of microscopy and spectroscopy, are well suited to study both the composition and the spatial organization of heterogeneous complex mixtures of organic and mineral matter. Time-of-flight secondary ion mass spectrometry (ToF-SIMS), followed by scanning electron microscopy with energy dispersive X-ray analysis (SEM-EDX) and Fourier transform infrared microscopy (FTIR microscopy) have been applied to non-destructive analysis of micro-samplings of ritual matters deposited on the surface of African wooden statuettes. With a very careful preparation, using ultramicrotomy on embedded samples, it was possible to perform successively all the measurements on a single fragment. Comparison and superposition of the different chemical images, obtained on a sample from a significant actual artefact, have allowed us to identify minerals (clays, quartz and calcium carbonate), proteins, starch, urate salts and lipids and to map their spatial distribution.

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

    Science.gov (United States)

    Saskatchewan Consumer and Commercial Affairs, Regina.

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

  4. Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

    Science.gov (United States)

    Kustova, Elena V.; Kremer, Gilberto M.

    2014-12-01

    Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman-Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N2 flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.

  5. Quantitative analysis of liver GST-P foci promoted by a chemical mixture of hexachlorobenzene and PCB 126: implication of size-dependent cellular growth kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Yasong [Colorado State University, Quantitative and Computational Toxicology Group, Department of Environmental and Radiological Health Sciences, Fort Collins, CO (United States); Translational Pharmacology Group, PDM, Pfizer Inc, Groton, CT (United States); Lohitnavy, Manupat; Lohitnavy, Ornrat; Eickman, Elizabeth; Gerjevic, Lisa; Yang, Raymond S.H. [Colorado State University, Quantitative and Computational Toxicology Group, Department of Environmental and Radiological Health Sciences, Fort Collins, CO (United States); Reddy, Micaela [DMPK Group, Preclinical Sciences, Roche Palo Alto LLC, CA (United States); Ashley, Amanda [Colorado State University, Department of Cell and Molecular Biology, Fort Collins, CO (United States); Xu, Yihua [University of Wisconsin, McArdle Laboratory for Cancer Research, Madison, WI (United States); Conolly, Rory B. [USEPA, National Center for Computational Toxicology, Research Triangle Park, NC (United States)

    2008-02-15

    The objectives of this study were twofold: (1) evaluating the carcinogenic potential of the mixture of two persistent environmental pollutants, hexachlorobenzene (HCB) and 3,3',4,4',5-pentachlorobiphenyl (PCB 126), in an initiation-promotion bioassay involving the development of {pi} glutathione S-transferase (GST-P) liver foci, and (2) analyzing the GST-P foci data using a biologically-based computer model (i.e., clonal growth model) with an emphasis on the effect of focal size on the growth kinetics of initiated cells. The 8-week bioassay involved a series of treatments of initiator, two-thirds partial hepatectomy, and daily oral gavage of the mixture of two doses in male F344 rats. The mixture treatment significantly increased liver GST-P foci development, indicating carcinogenic potential of this mixture. Our clonal growth model was developed to simulate the appearance and development of initiated GST-P cells in the liver over time. In the model, the initiated cells were partitioned into two subpopulations with the same division rate but different death rates. Each subpopulation was further categorized into single cells, mini- (2-11 cells), medium- (12-399 cells), and large-foci (>399 cells) with different growth kinetics. Our modeling suggested that the growth of GST-P foci is size-dependent; in general, the larger the foci, the higher the rate constants of division and death. In addition, the modeling implied that the two doses promoted foci development in different manners even though the experimental foci data appeared to be similar between the two doses. This study further illustrated how clonal growth modeling may facilitate our understanding in chemical carcinogenic process. (orig.)

  6. An assessment of the model of concentration addition for predicting the estrogenic activity of chemical mixtures in wastewater treatment works effluents.

    Science.gov (United States)

    Thorpe, Karen L; Gross-Sorokin, Melanie; Johnson, Ian; Brighty, Geoff; Tyler, Charles R

    2006-04-01

    The effects of simple mixtures of chemicals, with similar mechanisms of action, can be predicted using the concentration addition model (CA). The ability of this model to predict the estrogenic effects of more complex mixtures such as effluent discharges, however, has yet to be established. Effluents from 43 U.K. wastewater treatment works were analyzed for the presence of the principal estrogenic chemical contaminants, estradiol, estrone, ethinylestradiol, and nonylphenol. The measured concentrations were used to predict the estrogenic activity of each effluent, employing the model of CA, based on the relative potencies of the individual chemicals in an in vitro recombinant yeast estrogen screen (rYES) and a short-term (14-day) in vivo rainbow trout vitellogenin induction assay. Based on the measured concentrations of the four chemicals in the effluents and their relative potencies in each assay, the calculated in vitro and in vivo responses compared well and ranged between 3.5 and 87 ng/L of estradiol equivalents (E2 EQ) for the different effluents. In the rYES, however, the measured E2 EQ concentrations in the effluents ranged between 0.65 and 43 ng E2 EQ/L, and they varied against those predicted by the CA model. Deviations in the estimation of the estrogenic potency of the effluents by the CA model, compared with the measured responses in the rYES, are likely to have resulted from inaccuracies associated with the measurement of the chemicals in the extracts derived from the complex effluents. Such deviations could also result as a consequence of interactions between chemicals present in the extracts that disrupted the activation of the estrogen response elements in the rYES. E2 EQ concentrations derived from the vitellogenic response in fathead minnows exposed to a series of effluent dilutions were highly comparable with the E2 EQ concentrations derived from assessments of the estrogenic potency of these dilutions in the rYES. Together these data support the

  7. Supersymmetry: proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Brennan, E.C. (ed.)

    1985-07-01

    Some lectures in these proceedings examine the theoretical basis for supersymmetry, recent developments in theories with compact dimensions, and experimental searches for supersymmetric signatures. Technologies are explored for obtaining very high energy electron-positron colliding beams. Separate abstracts were prepared for 35 papers in these conference proceedings. (LEW)

  8. Proceedings of the 3. International conference on waste management in the chemical and petrochemical industries. Volume 1 and 2.

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Francisco F.; Pereira Filho, Francisco A.; Almeida, Sergio A.S. [eds.

    1993-12-31

    To produce without pollution is today a mandate for the preservation of our society. To produce cleaner means to conserve energy and natural resources, to reduce the use of toxic substances, to invest in the evolution of products and production processes towards a minimum of residues. The Third International Conference on Waste Minimization in the Chemical and Petrochemical Industries addresses these challenging questions regarding waste minimization

  9. Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

    Energy Technology Data Exchange (ETDEWEB)

    Kustova, Elena V., E-mail: e.kustova@spbu.ru [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr. 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M., E-mail: kremer@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)

    2014-12-05

    Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N{sub 2} flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.

  10. High sensitivity stand-off detection and quantification of chemical mixtures using an active coherent laser spectrometer (ACLaS)

    Science.gov (United States)

    MacLeod, Neil A.; Weidmann, Damien

    2016-05-01

    High sensitivity detection, identification and quantification of chemicals in a stand-off configuration is a highly sought after capability across the security and defense sector. Specific applications include assessing the presence of explosive related materials, poisonous or toxic chemical agents, and narcotics. Real world field deployment of an operational stand-off system is challenging due to stringent requirements: high detection sensitivity, stand-off ranges from centimeters to hundreds of meters, eye-safe invisible light, near real-time response and a wide chemical versatility encompassing both vapor and condensed phase chemicals. Additionally, field deployment requires a compact, rugged, power efficient, and cost-effective design. To address these demanding requirements, we have developed the concept of Active Coherent Laser Spectrometer (ACLaS), which can be also described as a middle infrared hyperspectral coherent lidar. Combined with robust spectral unmixing algorithms, inherited from retrievals of information from high-resolution spectral data generated by satellitebased spectrometers, ACLaS has been demonstrated to fulfil the above-mentioned needs. ACLaS prototypes have been so far developed using quantum cascade lasers (QCL) and interband cascade lasers (ICL) to exploit the fast frequency tuning capability of these solid state sources. Using distributed feedback (DFB) QCL, demonstration and performance analysis were carried out on narrow-band absorbing chemicals (N2O, H2O, H2O2, CH4, C2H2 and C2H6) at stand-off distances up to 50 m using realistic non cooperative targets such as wood, painted metal, and bricks. Using more widely tunable external cavity QCL, ACLaS has also been demonstrated on broadband absorbing chemicals (dichloroethane, HFC134a, ethylene glycol dinitrate and 4-nitroacetanilide solid) and on complex samples mixing narrow-band and broadband absorbers together in a realistic atmospheric background.

  11. Chemical Composition of Aerosol Particles Emitted by a Passenger Car Engine Fueled by Ethanol/Gasoline Mixtures

    Science.gov (United States)

    Medrano, J. M.; Gross, D. S.; Dutcher, D. D.; Drayton, M.; Kittelson, D.; McMurry, P.

    2007-12-01

    With concerns of national security, climate change, and human health, many people have called for oil independence for the United States and for the creation of alternative fuels. Ethanol has been widely praised as a viable alternative to petroleum-based fuels, due to the fact that it can be produced locally. A great deal of work has been done to characterize the energy balance of ethanol production versus consumption, but there have been fewer studies of the environmental and health impacts of emissions from combustion of ethanol/gasoline mixtures such as those burned in the modern vehicle fleet. To study the particulate emissions from such fuels, different ethanol/gasoline fuel mixtures with 0, 20, 40, and 85% ethanol were burned in a dynamometer-mounted automobile engine. The engine exhaust was diluted and sampled with two aerosol Time-of-Flight Mass Spectrometers (TSI 3800 ATOFMS), sampling different particle size ranges (50-500 nm and 150-3000 nm, respectively), to measure size and composition of the emitted aerosol particles. A variety of other aerosol characterization techniques were also employed to determine the size distribution of the aerosol particles, the mass emission rate from the engine, and the concentration of polycyclic aromatic hydrocarbons (PAHs) and elemental carbon (EC) in the particle emissions. Here we will focus on results from the ATOFMS, which provides us with a particle size and mass spectra - for both negative and positive ions - for each particle that is sampled. Particles being emitted were found to contain primarily PAHs, elemental carbon (EC), nitrates, and sulfates. Particles were analyzed to investigate trends in particle composition as a function of fuel ethanol content, particle size, and for the types of particles emitted. A trend in particle type as a function of fuel ethanol content was evident in smaller particles, and trends in composition as a function of particle size were visible across the entire size range sampled.

  12. The use of superoxide mixtures as air-revitalization chemicals in hyperbaric, self-contained, closed-circuit breathing apparatus

    Science.gov (United States)

    Wood, P. C.; Wydeven, T.

    1985-01-01

    In portable breathing apparatus applications at 1 atm, potassium superoxide (KO2) has exhibited low-utilization efficiency of the available oxygen (O2) and diminished carbon dioxide-(CO2) scrubbing capacity caused by the formation of a fused, hydrated-hydroxide/carbonate product coating on the superoxide granules. In earlier work, it was discovered that granules fabricated from an intimate mixture of KO2 and calcium superoxide, Ca(O2)2, did not exhibit formation of a fused product coating and the utilization efficiency with respect to both O2 release and CO2 absorption was superior to KO2 granules when both types of granules were reacted with humidified CO2 under identified conditions. In the work described here, single pellets of KO2, KO2/Ca(O2), mixtures and commercially available KO2 tables and granules were reacted with a flow of humidified CO2 in helium at 1- and 10-atm total pressure and at an initial temperature of 40 C. In the 1-atm flow tests, the reaction rates and utilization efficiency of the KO2/Ca(O2)2 pellets were markedly superior to the KO2 pellets, tablets, and granules when the samples were reacted under identical conditions. However, at 10 atm, the rates of O2 release and CO2 absorption, as well as the utilization efficiencies of all the superoxide samples, were one-third to one-eighth of the values observed at 1 atm. The decrease in reaction performance at 10 atm compared to that at 1 atm has been attributed principally to the lower bulk diffusivity of the CO2 and H2O reactants in helium at the higher pressure and secondarily to the moderation of the reaction temperature caused by the higher heat capacity of the 10-atm helium.

  13. Spectral properties of mixtures of montmorillonite and dark grains - Implications for remote sensing minerals containing chemically and physically adsorbed water

    Science.gov (United States)

    Clark, R. N.

    1983-01-01

    The spectral properties from 0.4 to 3 microns of montmorillonite plus dark carbon grains (called opaques) of various sizes are studied as a function of the weight fraction of opaques present. The reflectance level and band depths of the 1.4-, 1.9-, 2.2-, and 2.8-micron water and/or OH absorption features are analyzed using derived empirical relationships and scattering theory. It is found that the absorption band depths and reflectance level are a very nonlinear function of the weight fraction of opaques present but can be predicted in many cases by simple scattering theory. The 2.8-micron bound water fundamental band is the most difficult absorption feature to suppress. The overtone absorptions are suppressed a greater amount than the fundamental but are still apparent even when 10-20 wt pct opaques are present. The relationships observed and the simple scattering theory presented show that quantitative compositional remote sensing studies are feasible for surfaces containing complex mineral mixtures.

  14. Quantitative NMR spectroscopy of complex technical mixtures using a virtual reference: chemical equilibria and reaction kinetics of formaldehyde-water-1,3,5-trioxane.

    Science.gov (United States)

    Maiwald, Michael; Grützner, Thomas; Ströfer, Eckhard; Hasse, Hans

    2006-07-01

    Quantitative 1H NMR spectroscopy was used to study chemical equilibria and reaction kinetics of both the formation and decomposition of 1,3,5-trioxane in aqueous formaldehyde solutions. The reaction was homogeneously catalyzed with up to 0.10 g g(-1) sulfuric acid at temperatures between 360 and 383 K so that most of the experiments had to be carried out pressurized. The studied mixtures were complex due to the formation of methylene glycol and poly(oxymethylene) glycols in aqueous formaldehyde and the presence of considerable amounts of ionized species. Most common internal standards are decomposed by the hot sulfuric acid and external standards were not applicable using the flow NMR probe or pressurizable NMR sample tubes. Therefore, for the quantification of the small trioxane signals, a novel procedure was applied, in which electronically generated NMR signals were used as highly stable Virtual References (VR). The NMR decoupler channel with wave-form generator was used as the source of the reference signal, which was irradiated into the probe using the lock coil. Details on the experimental procedure are presented. It is shown that the presented method yields reliable quantitative reaction data for the complex studied mixtures.

  15. Modelling the influence of inulin as a fat substitute in comminuted meat products on their physico-chemical characteristics and eating quality using a mixture design approach.

    Science.gov (United States)

    Keenan, Derek F; Resconi, Virginia C; Kerry, Joseph P; Hamill, Ruth M

    2014-03-01

    The effects of fat substitution using two commercial inulin products on the physico-chemical properties and eating quality of a comminuted meat product (breakfast sausage) were modelled using a specialised response surface experiment specially developed for mixtures. 17 treatments were assigned representing a different substitution level for fat with inulin. Sausages were formulated to contain pork shoulder, back fat/inulin, water, rusk and seasoning (44.3, 18.7, 27.5, 7 and 2.5% w/w). Composition, sensory, instrumental texture and colour characteristics were assessed. Fructan analysis showed that inulin was unaffected by heat or processing treatments. Models showed increasing inulin inclusions decreased cook loss (pinulin concentration, with panellists also scoring products containing inulin as less tender (pinulin to deliver a prebiotic health effect.

  16. The role of NH3 and hydrocarbon mixtures in GaN pseudo-halide CVD: a quantum chemical study.

    Science.gov (United States)

    Gadzhiev, Oleg B; Sennikov, Peter G; Petrov, Alexander I; Kachel, Krzysztof; Golka, Sebastian; Gogova, Daniela; Siche, Dietmar

    2014-11-01

    The prospects of a control for a novel gallium nitride pseudo-halide vapor phase epitaxy (PHVPE) with HCN were thoroughly analyzed for hydrocarbons-NH3-Ga gas phase on the basis of quantum chemical investigation with DFT (B3LYP, B3LYP with D3 empirical correction on dispersion interaction) and ab-initio (CASSCF, coupled clusters, and multireference configuration interaction including MRCI+Q) methods. The computational screening of reactions for different hydrocarbons (CH4, C2H6, C3H8, C2H4, and C2H2) as readily available carbon precursors for HCN formation, potential chemical transport agents, and for controlled carbon doping of deposited GaN was carried out with the B3LYP method in conjunction with basis sets up to aug-cc-pVTZ. The gas phase intermediates for the reactions in the Ga-hydrocarbon systems were predicted at different theory levels. The located π-complexes Ga…C2H2 and Ga…C2H4 were studied to determine a probable catalytic activity in reactions with NH3. A limited influence of the carbon-containing atmosphere was exhibited for the carbon doping of GaN crystal in the conventional GaN chemical vapor deposition (CVD) process with hydrocarbons injected in the gas phase. Our results provide a basis for experimental studies of GaN crystal growth with C2H4 and C2H2 as auxiliary carbon reagents for the Ga-NH3 and Ga-C-NH3 CVD systems and prerequisites for reactor design to enhance and control the PHVPE process through the HCN synthesis.

  17. Mixtures and interactions

    NARCIS (Netherlands)

    Groten, J.P.

    2000-01-01

    Drinking water can be considered as a complex mixture that consists of tens, hundreds or thousands of chemicals of which the composition is qualitatively and quantitatively not fully known. From a public health point of view it is most relevant to answer the question of whether chemicals in drinking

  18. Influence of pressure and temperature on the physico-chemical properties of mobile phase mixtures commonly used in high-performance liquid chromatography.

    Science.gov (United States)

    Billen, Jeroen; Broeckhoven, Ken; Liekens, Anuschka; Choikhet, Konstantin; Rozing, Gerard; Desmet, Gert

    2008-11-07

    To fulfil the increasing demand for faster and more complex separations, modern HPLC separations are performed at ever higher pressures and temperatures. Under these operating conditions, it is no longer possible to safely assume the mobile phase fluid properties to be invariable of the governing pressures and temperatures, without this resulting in significantly deficient results. A detailed insight in the influence of pressure and temperature on the physico-chemical properties of the most commonly used liquid mobile phases: water-methanol and water-acetonitrile mixtures, therefore becomes very timely. Viscosity, isothermal compressibility and density were measured for pressures up to 1000 bar and temperatures up to 100 degrees C for the entire range of water-methanol and water-acetonitrile mixtures. The paper reports on two different viscosity values: apparent and real viscosities. The apparent viscosities represent the apparent flow resistance under high pressure referred to by the flow rates measured at atmospheric pressure. They are of great practical use, because the flow rates at atmospheric pressure are commonly stable and more easily measurable in a chromatographic setup. The real viscosities are those complying with the physical definition of viscosity and they are important from a fundamental point of view. By measuring the isothermal compressibility, the actual volumetric flow rates at elevated pressures and temperatures can be calculated. The viscosities corresponding to these flow rates are the real viscosities of the solvent under the given elevated pressure and temperature. The measurements agree very well with existing literature data, which mainly focus on pure water, methanol and acetonitrile and are only available for a limited range of temperatures and pressures. As a consequence, the physico-chemical properties reported on in this paper provide a significant extension to the range of data available, hereby providing useful data to practical as

  19. Shock-induced chemical reactions in titanium-silicon powder mixtures of different morphologies: Time-resolved pressure measurements and materials analysis

    Science.gov (United States)

    Thadhani, N. N.; Graham, R. A.; Royal, T.; Dunbar, E.; Anderson, M. U.; Holman, G. T.

    1997-08-01

    The response of porous titanium (Ti) and silicon (Si) powder mixtures with small, medium, and coarse particle morphologies is studied under high-pressure shock loading, employing postshock materials analysis as well as nanosecond, time-resolved pressure measurements. The objective of the work was to provide an experimental basis for development of models describing shock-induced solid-state chemistry. The time-resolved measurements of stress pulses obtained with piezoelectric polymer (poly-vinyl-di-flouride) pressure gauges provided extraordinary sensitivity for determination of rate-dependent shock processes. Both techniques showed clear evidence for shock-induced chemical reactions in medium-morphology powders, while fine and coarse powders showed no evidence for reaction. It was observed that the medium-morphology mixtures experience simultaneous plastic deformation of both Ti and Si particles. Fine morphology powders show particle agglomeration, while coarse Si powders undergo extensive fracture and entrapment within the plastically deformed Ti; such processes decrease the propensity for initiation of shock-induced reactions. The change of deformation mode between fracture and plastic deformation in Si powders of different morphologies is a particularly critical observation. Such a behavior reveals the overriding influence of the shock-induced, viscoplastic deformation and fracture response, which controls the mechanochemical nature of shock-induced solid-state chemistry. The present work in conjunction with our prior studies, demonstrates that the initiation of chemical reactions in shock compression of powders is controlled by solid-state mechanochemical processes, and cannot be qualitatively or quantitatively described by thermochemical models.

  20. Mixture Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Piepel, Gregory F.

    2007-12-01

    A mixture experiment involves combining two or more components in various proportions or amounts and then measuring one or more responses for the resulting end products. Other factors that affect the response(s), such as process variables and/or the total amount of the mixture, may also be studied in the experiment. A mixture experiment design specifies the combinations of mixture components and other experimental factors (if any) to be studied and the response variable(s) to be measured. Mixture experiment data analyses are then used to achieve the desired goals, which may include (i) understanding the effects of components and other factors on the response(s), (ii) identifying components and other factors with significant and nonsignificant effects on the response(s), (iii) developing models for predicting the response(s) as functions of the mixture components and any other factors, and (iv) developing end-products with desired values and uncertainties of the response(s). Given a mixture experiment problem, a practitioner must consider the possible approaches for designing the experiment and analyzing the data, and then select the approach best suited to the problem. Eight possible approaches include 1) component proportions, 2) mathematically independent variables, 3) slack variable, 4) mixture amount, 5) component amounts, 6) mixture process variable, 7) mixture of mixtures, and 8) multi-factor mixture. The article provides an overview of the mixture experiment designs, models, and data analyses for these approaches.

  1. Comparison of NIR chemical imaging with conventional NIR, Raman and ATR-IR spectroscopy for quantification of furosemide crystal polymorphs in ternary powder mixtures.

    Science.gov (United States)

    Schönbichler, S A; Bittner, L K H; Weiss, A K H; Griesser, U J; Pallua, J D; Huck, C W

    2013-08-01

    The aim of this study was to evaluate the ability of near-infrared chemical imaging (NIR-CI), near-infrared (NIR), Raman and attenuated-total-reflectance infrared (ATR-IR) spectroscopy to quantify three polymorphic forms (I, II, III) of furosemide in ternary powder mixtures. For this purpose, partial least-squares (PLS) regression models were developed, and different data preprocessing algorithms such as normalization, standard normal variate (SNV), multiplicative scatter correction (MSC) and 1st to 3rd derivatives were applied to reduce the influence of systematic disturbances. The performance of the methods was evaluated by comparison of the standard error of cross-validation (SECV), R(2), and the ratio performance deviation (RPD). Limits of detection (LOD) and limits of quantification (LOQ) of all methods were determined. For NIR-CI, a SECVcorr-spec and a SECVsingle-pixel corrected were calculated to assess the loss of accuracy by taking advantage of the spatial information. NIR-CI showed a SECVcorr-spec (SECVsingle-pixel corrected) of 2.82% (3.71%), 3.49% (4.65%), and 4.10% (5.06%) for form I, II, III. NIR had a SECV of 2.98%, 3.62%, and 2.75%, and Raman reached 3.25%, 3.08%, and 3.18%. The SECV of the ATR-IR models were 7.46%, 7.18%, and 12.08%. This study proves that NIR-CI, NIR, and Raman are well suited to quantify forms I-III of furosemide in ternary mixtures. Because of the pressure-dependent conversion of form II to form I, ATR-IR was found to be less appropriate for an accurate quantification of the mixtures. In this study, the capability of NIR-CI for the quantification of polymorphic ternary mixtures was compared with conventional spectroscopic techniques for the first time. For this purpose, a new way of spectra selection was chosen, and two kinds of SECVs were calculated to achieve a better comparability of NIR-CI to NIR, Raman, and ATR-IR.

  2. On Modeling the Response of Synovial Fluid: Unsteady Flow of a Shear-Thinning, Chemically-Reacting Fluid Mixture

    CERN Document Server

    Bridges, Craig; Rajagopal, K R

    2010-01-01

    We study the flow of a shear-thinning, chemically-reacting fluid that could be used to model the flow of the synovial fluid. The actual geometry where the flow of the synovial fluid takes place is very complicated, and therefore the governing equations are not amenable to simple mathematical analysis. In order to understand the response of the model, we choose to study the flow in a simple geometry. While the flow domain is not a geometry relevant to the flow of the synovial fluid in the human body it yet provides a flow which can be used to assess the efficacy of different models that have been proposed to describe synovial fluids. We study the flow in the annular region between two cylinders, one of which is undergoing unsteady oscillations about their common axis, in order to understand the quintessential behavioral characteristics of the synovial fluid. We use the three models suggested by Hron et al. [ J. Hron, J. M\\'{a}lek, P. Pust\\v{e}jovsk\\'{a}, K. R. Rajagopal, On concentration dependent shear-thinni...

  3. Chemical kinetic study of the oxidation of a biodiesel-bioethanol surrogate fuel: methyl octanoate-ethanol mixtures.

    Science.gov (United States)

    Togbé, C; May-Carle, J-B; Dayma, G; Dagaut, P

    2010-03-25

    There is a growing interest for using bioethanol-biodiesel fuel blends in diesel engines but no kinetic data and model for their combustion were available. Therefore, the kinetics of oxidation of a biodiesel-bioethanol surrogate fuel (methyl octanoate-ethanol) was studied experimentally in a jet-stirred reactor at 10 atm and constant residence time, over the temperature range 560-1160 K, and for several equivalence ratios (0.5-2). Concentration profiles of reactants, stable intermediates, and final products were obtained by probe sampling followed by online FTIR, and off-line gas chromatography analyses. The oxidation of this fuel in these conditions was modeled using a detailed chemical kinetic reaction mechanism consisting of 4592 reversible reactions and 1087 species. The proposed kinetic reaction mechanism yielded a good representation of the kinetics of oxidation of this biodiesel-bioethanol surrogate under the JSR conditions. The modeling was used to delineate the reactions triggering the low-temperature oxidation of ethanol important for diesel engine applications.

  4. Symposium on Short-Term Genetic Bioassays in the Evaluation of Complex Environmental Mixtures

    CERN Document Server

    Sandhu, Shahbeg; Lewtas, Joellen; Claxton, Larry; Strauss, Gary; Nesnow, Stephen

    1985-01-01

    With this proceedings of the fourth symposium on complex mixtures, we continue to revise and extend our knowledge of genetic methods for the evaluation of chemical mixtures in the environment. The early chapters of this volume are devoted to new bioassay techniques that are directly applicable to the monitoring of environments contaminated with genotoxic chemicals. Microbiological methods have been further refined to meet the special needs of atmospheric monitoring so that very small samples may now be efficiently tested. New in situ methods utilizing green plants actually avoid many of the usual difficulties of sample collection and preparation and offer special advantages in monitoring wastewater, sludges, and hazardous wastes. Insects also are being employed very effectively in the evaluation of gaseous air pollutants in controlled laboratory investigations. Increased emphasis has been placed on a comprehensive assessment of the potential of complex mixtures t9 cause various kinds of genetic damage. New as...

  5. Solubilidade de micronutrientes contidos em formulações de fertilizantes, em extratores químicos Micronutrient solubility in fertilizer mixtures by chemical extractors

    Directory of Open Access Journals (Sweden)

    J. C. Alcarde

    2003-04-01

    Full Text Available A legislação brasileira adota o teor total para a garantia dos micronutrientes em fertilizantes. Isso permite a utilização de subprodutos de várias origens, baratos, mas que nem sempre apresentam os micronutrientes em formas disponíveis às plantas. Estudou-se a solubilidade dos micronutrientes em formulações de fertilizantes, utilizando os extratores água e soluções de ácido cítrico 20 g L-1 e citrato neutro de amônio (1 + 9, já usados na avaliação de matérias-primas. Os resultados foram semelhantes, tanto na avaliação das formulações como de matérias-primas, isto é, a solução de ácido cítrico a 20 g L-1 possibilita avaliar, com mais segurança, o conteúdo de micronutrientes em formulações de fertilizantes, representando uma alternativa para o teor total, que não é um critério adequado, do ponto de vista agronômico, para avaliar os micronutrientes contidos em fertilizantes.In Brazilian legislation, the control for micronutrient concentrations in mineral fertilizers considers the total content. As a consequence, low-cost by-products and even industrial residues are generally used as a source for micronutrients, despite their low availability to plants. To evaluate fertilizer solubilities, water, citric acid 20 g L-1, and neutral ammonium citrate (1 + 9 extracting solutions were applied to mixtures containing micronutrients. The same study was realized for micronutrient sources. Results were similar for both sources and mixtures. Citric acid solution 20 g L-1 was the most promising option to evaluate micronutrient contents in fertilizer mixtures. From the agronomic point of view, the total content is an inadequate criterion for the determination of micronutrient contents in chemical fertilizers.

  6. Atmospheric pressure laser-induced acoustic desorption chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for the analysis of complex mixtures.

    Science.gov (United States)

    Nyadong, Leonard; McKenna, Amy M; Hendrickson, Christopher L; Rodgers, Ryan P; Marshall, Alan G

    2011-03-01

    We present a novel nonresonant laser-based matrix-free atmospheric pressure ionization technique, atmospheric pressure laser-induced acoustic desorption chemical ionization (AP/LIAD-CI). The technique decouples analyte desorption from subsequent ionization by reagent ions generated from a corona discharge initiated in ambient air or in the presence of vaporized toluene as a CI dopant at room temperature. Analyte desorption is initiated by a shock wave induced in a titanium foil coated with electrosprayed sample, irradiated from the rear side by high-energy laser pulses. The technique enables facile and independent optimization of the analyte desorption, ionization, and sampling events, for coupling to any mass analyzer with an AP interface. Moreover, the generated analyte ions are efficiently thermalized by collisions with atmospheric gases, thereby reducing fragmentation. We have coupled AP/LIAD-CI to ultrahigh-resolution FT-ICR MS to generate predominantly [M + H](+) or M(+•) ions to resolve and identify thousands of elemental compositions from organic mixtures as complex as petroleum crude oil distillates. Finally, we have optimized the AP/LIAD CI process and investigated ionization mechanisms by systematic variation of placement of the sample, placement of the corona discharge needle, discharge current, gas flow rate, and inclusion of toluene as a dopant.

  7. Thermal Modification of a-SiC:H Films Deposited by Plasma Enhanced Chemical Vapour Deposition from CH4+SiH4 Mixtures

    Institute of Scientific and Technical Information of China (English)

    刘玉学; 王宁会; 刘益春; 申德振; 范希武; 李灵燮

    2001-01-01

    The effects of thermal annealing on photoluminescence (PL) and structural properties of a-Si1-xCx :H films deposited by plasma enhanced chemical vapour deposition from CH4+SiH4 mixtures are studied by using infrared, PL and transmittance-reflectance spectra. In a-SiC:H network, high-temperature annealing gives rise to the effusion of hydrogen from strongly bonded hydrogen in SiH, SiH2, (SiH2)n, SiCHn and CHn configurations and the break of weak C-C, Si-Si and C-Si bonds. A structural rearrangement will occur, which causes a significant correlation of the position and intensity of the PL signal with the annealing temperature. The redshift of the PL peak is related to the destruction of the confining power of barriers. However, the PL intensity does not have a significant correlation with the annealing temperature for a C-rich a-SiC:H network, which refers to the formation of π-bond cluster as increasing carbon content. It is indicated that the thermal stability of C-rich a-Si1-xCx:H films is better than that of Si-like a-Si1-xCx :H films.

  8. A Methodological Approach to Assessing the Health Impact of Environmental Chemical Mixtures: PCBs and Hypertension in the National Health and Nutrition Examination Survey

    Directory of Open Access Journals (Sweden)

    Paul White

    2011-11-01

    Full Text Available We describe an approach to examine the association between exposure to chemical mixtures and a health outcome, using as our case study polychlorinated biphenyls (PCBs and hypertension. The association between serum PCB and hypertension among participants in the 1999–2004 National Health and Nutrition Examination Survey was examined. First, unconditional multivariate logistic regression was used to estimate odds ratios and associated 95% confidence intervals. Next, correlation and multicollinearity among PCB congeners was evaluated, and clustering analyses performed to determine groups of related congeners. Finally, a weighted sum was constructed to represent the relative importance of each congener in relation to hypertension risk. PCB serum concentrations varied by demographic characteristics, and were on average higher among those with hypertension. Logistic regression results showed mixed findings by congener and class. Further analyses identified groupings of correlated PCBs. Using a weighted sum approach to equalize different ranges and potencies, PCBs 66, 101, 118, 128 and 187 were significantly associated with increased risk of hypertension. Epidemiologic data were used to demonstrate an approach to evaluating the association between a complex environmental exposure and health outcome. The complexity of analyzing a large number of related exposures, where each may have different potency and range, are addressed in the context of the association between hypertension risk and exposure to PCBs.

  9. A methodological approach to assessing the health impact of environmental chemical mixtures: PCBs and hypertension in the National Health and Nutrition Examination Survey.

    Science.gov (United States)

    Yorita Christensen, Krista L; White, Paul

    2011-11-01

    We describe an approach to examine the association between exposure to chemical mixtures and a health outcome, using as our case study polychlorinated biphenyls (PCBs) and hypertension. The association between serum PCB and hypertension among participants in the 1999-2004 National Health and Nutrition Examination Survey was examined. First, unconditional multivariate logistic regression was used to estimate odds ratios and associated 95% confidence intervals. Next, correlation and multicollinearity among PCB congeners was evaluated, and clustering analyses performed to determine groups of related congeners. Finally, a weighted sum was constructed to represent the relative importance of each congener in relation to hypertension risk. PCB serum concentrations varied by demographic characteristics, and were on average higher among those with hypertension. Logistic regression results showed mixed findings by congener and class. Further analyses identified groupings of correlated PCBs. Using a weighted sum approach to equalize different ranges and potencies, PCBs 66, 101, 118, 128 and 187 were significantly associated with increased risk of hypertension. Epidemiologic data were used to demonstrate an approach to evaluating the association between a complex environmental exposure and health outcome. The complexity of analyzing a large number of related exposures, where each may have different potency and range, are addressed in the context of the association between hypertension risk and exposure to PCBs.

  10. Chemical and Physical Characteristics of Cocopeat-Based Media Mixtures and Their Effects on the Growth and Development of Celosia cristata

    Directory of Open Access Journals (Sweden)

    Yahya Awang

    2009-01-01

    Full Text Available Problem statement: Cocopeat is considered as a good growing media component with acceptable pH, electrical conductivity and other chemical attributes but it has been recognized to have high water holding capacity which causes poor air-water relationship, leading to low aeration within the medium, thus affecting the oxygen diffusion to the roots. Incorporation of coarser materials into cocopeat could improve the aeration status of the media. Approach: Selected chemical and physical characteristics of five types of growing media comprising of (v/v 100% cocopeat, 70% cocopeat: 30% burnt rice hull, 70% cocopeat: 30% perlite, 70% cocopeat: 30% kenaf core fiber and 40% cocopeat: 60% kenaf core fiber were determined and their suitability as growing media was tested using Celosia cristata. Data on pH, Electrical Conductivity (EC and various aspects of air-water relationships of the media, as well on growth and flowering of test plant and leaf nutrient contents were collected. Results: Initial pH for 100% cocopeat and 70% cocopeat: 30% kenaf core fiber was higher than the other media but the values were eventually similar by the end of the study. The bulk density and EC of media containing burnt rice hull was markedly higher than the other media (0.12 g cm3 and 0.48 mS cm-1, respectively. Media comprising of 70% cocopeat: 30% burnt rice hull and 70% cocopeat: 30% perlite contained higher air content. The former held the highest volume of available water. Incorporation of burnt rice hull and perlite into cocopeat increased water absorption ability of the media which reached saturation earlier than the other media. Addition of burnt rice hull (30%, perlite (30% and kenaf core fiber (30% to cocopeat elevated the Air-Filled Porosity (AFP of the media. The growth and flowering of Celosia cristata were the greatest when grown in a mixture of 70% cocopeat: 30% burnt rice hull and perhaps linked with a good balance

  11. Perception of trigeminal mixtures.

    Science.gov (United States)

    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.

  12. The selective conversion of glutamic acid in amino acid mixtures using glutamate decarboxylase--a means of separating amino acids for synthesizing biobased chemicals.

    Science.gov (United States)

    Teng, Yinglai; Scott, Elinor L; Sanders, Johan P M

    2014-01-01

    Amino acids (AAs) derived from hydrolysis of protein rest streams are interesting feedstocks for the chemical industry due to their functionality. However, separation of AAs is required before they can be used for further applications. Electrodialysis may be applied to separate AAs, but its efficiency is limited when separating AAs with similar isoelectric points. To aid the separation, specific conversion of an AA to a useful product with different charge behavior to the remaining compounds is desired. Here the separation of L-aspartic acid (Asp) and L-glutamic acid (Glu) was studied. L-Glutamate α-decarboxylase (GAD, Type I, EC 4.1.1.15) was applied to specifically convert Glu into γ-aminobutyric acid (GABA). GABA has a different charge behavior from Asp therefore allowing a potential separation by electrodialysis. Competitive inhibition and reduced operational stability caused by Asp could be eliminated by maintaining a sufficiently high concentration of Glu. Immobilization of GAD does not reduce the enzyme's initial activity. However, the operational stability was slightly reduced. An initial study on the reaction operating in a continuous mode was performed using a column reactor packed with immobilized GAD. As the reaction mixture was only passed once through the reactor, the conversion of Glu was lower than expected. To complete the conversion of Glu, the stream containing Asp and unreacted Glu might be recirculated back to the reactor after GABA has been removed. Overall, the reaction by GAD is specific to Glu and can be applied to aid the electrodialysis separation of Asp and Glu.

  13. A Demonstration of the Uncertainty in Predicting the Estrogenic Activity of Individual Chemicals and Mixtures From an In Vitro Estrogen Receptor Transcriptional Activation Assay (T47D-KBluc) to the In Vivo Uterotrophic Assay Using Oral Exposure.

    Science.gov (United States)

    Conley, Justin M; Hannas, Bethany R; Furr, Johnathan R; Wilson, Vickie S; Gray, L Earl

    2016-10-01

    In vitro estrogen receptor assays are valuable tools for identifying environmental samples and chemicals that display estrogenic activity. However, in vitro potency cannot necessarily be extrapolated to estimates of in vivo potency because in vitro assays are currently unable to fully account for absorption, distribution, metabolism, and excretion. To explore this issue, we calculated relative potency factors (RPF), using 17α-ethinyl estradiol (EE2) as the reference compound, for several chemicals and mixtures in the T47D-KBluc estrogen receptor transactivation assay. In vitro RPFs were used to predict rat oral uterotrophic assay responses for these chemicals and mixtures. EE2, 17β-estradiol (E2), benzyl-butyl phthalate (BBP), bisphenol-A (BPA), bisphenol-AF (BPAF), bisphenol-C (BPC), bisphenol-S (BPS), and methoxychlor (MET) were tested individually, while BPS + MET, BPAF + MET, and BPAF + BPC + BPS + EE2 + MET were tested as equipotent mixtures. In vivo ED50 values for BPA, BPAF, and BPC were accurately predicted using in vitro data; however, E2 was less potent than predicted, BBP was a false positive, and BPS and MET were 76.6 and 368.3-fold more active in vivo than predicted from the in vitro potency, respectively. Further, mixture ED50 values were more accurately predicted by the dose addition model using individual chemical in vivo uterotrophic data (0.7-1.5-fold difference from observed) than in vitro data (1.4-86.8-fold). Overall, these data illustrate the potential for both underestimating and overestimating in vivo potency from predictions made with in vitro data for compounds that undergo substantial disposition following oral administration. Accounting for aspects of toxicokinetics, notably metabolism, in in vitro models will be necessary for accurate in vitro-to-in vivo extrapolations.

  14. Numerical investigation of biogas diffusion flames characteristics under several operation conditions in counter-flow configuration with an emphasis on thermal and chemical effects of CO2 in the fuel mixture

    Science.gov (United States)

    Mameri, A.; Tabet, F.; Hadef, A.

    2017-03-01

    This study addresses the influence of several operating conditions (composition and ambient pressure) on biogas diffusion flame structure and NO emissions with particular attention on thermal and chemical effect of CO2. The biogas flame is modeled by a counter flow diffusion flame and analyzed in mixture fraction space using flamelet approach. The GRI Mech-3.0 mechanism that involves 53 species and 325 reactions is adopted for the oxidation chemistry. It has been observed that flame properties are very sensitive to biogas composition and pressure. CO2 addition decreases flame temperature by both thermal and chemical effects. Added CO2 may participate in chemical reaction due to thermal dissociation (chemical effect). Excessively supplied CO2 plays the role of pure diluent (thermal effect). The ambient pressure rise increases temperature and reduces flame thickness, radiation losses and dissociation amount. At high pressure, recombination reactions coupled with chain carrier radicals reduction, diminishes NO mass fraction.

  15. Laboratory measurements of selected optical, physical, chemical, and remote-sensing properties of five water mixtures containing Calvert clay and a nonfluorescing dye

    Science.gov (United States)

    Usry, J. W.; Whitlock, C. H.; Poole, L. R.; Witte, W. G., Jr.

    1981-01-01

    Total suspended solids concentrations ranged from 6.1 ppm to 24.3 ppm and sizes ranged between 1.5 micrometers and 10 micrometers with the most frequently occurring size less than 2 micrometers. Iron concentration was less than 1 percent of the total suspended solids. Nonfluorescing dye concentrations of the two mixtures were 20 ppm and 40 ppm. Attenuation coefficient for the five mixtures ranged from 4.8/m to 21.3/m. Variations in volume scattering function with phase angle were typical. Variations in attenuation and absorption coefficient with wavelength were similar for the mixtures without the dye. Attenuation coefficient of the mixtures with the dye increased for wavelengths less than 600 nm due to the dye's strong absorption peak near 500 nm. Reflectance increased as the concentration of Calvert clay increased and peaked near 600 nm. The nonfluorescent dye decreased the magnitude of the peak, but had practically no effect on the variation for wavelengths greater than 640 nm. At wavelengths less than 600 nm, the spectral variations of the mixtures with the dye were significantly different from those mixtures without the dye.

  16. The properties of the mixture of beef tallow and rapeseed oil with a high content of tallow after chemical and enzymatic interesterification

    Directory of Open Access Journals (Sweden)

    Gruczynska, Eliza

    2005-12-01

    Full Text Available A mixture of beef tallow with rapeseed oil (3:1 wt/wt was interesterified using sodium metoxide or immobilized lipases from Rhizomucor miehei (Lipozyme IM and Candida antarctica (Novozym 435 as catalysts. Chemical interesterifications were carried out at 60 and 90 ºC for 0.5 and 1.5 h using 0.4, 0.6 and 1.0 wt-% CH3ONa. Depending on the catalyst used enzymatic interesterifications were carried out at 60 ºC for 8 h (Lipozyme IM or at 80 ºC for 4 h (Novozym 435. The catalysts doses were kept constant (8 % but the water content in catalysts varied from 2 to 10 %. The starting mixture and the interesterified products were separated by column chromatography into a pure triacylglycerol fraction and a non-triacylglycerol fraction, which contained free fatty acids, mono- and diacylglycerols. It was found that the concentrations of free fatty acids and partial acylglycerols increased after interesterification. The slip melting points and solid fat contents of the triacylglycerol fractions isolated from interesterified fats were lower when compared with nonesterified blends. The sn-2 and sn-1,3 distributions of fatty acids in the triacylglycerol fractions before and after interesterification were determined.These distributions were random after chemical interesterification and near random when Novozym 435 was used. When Lipozyme IM was used, the fatty acid composition at the sn-2 position remained practically unchanged compared with the starting blend. The interesterified fats and isolated triacylglycerols had reduced oxidative stability, as assessed by Rancimat induction times. The addition of 0.02 % of BHA or BHT to the interesterified fats improved their stabilitie.Una mezcla de sebo con aceite de colza (3:1 p/p fue interesterificada usando metóxido de sodio y lipasas inmovilizadas de Rhizomucor miehei (Lipozyme IM and Candida antarctica (Novozym 435 como catalizadores. La interesterificación química se llevó a cabo a 60 ºC y 90

  17. Evidence from pharmacology and pathophysiology suggests that chemicals with dissimilar mechanisms of action could be of bigger concern in the toxicological risk assessment of chemical mixtures than chemicals with a similar mechanism of action

    DEFF Research Database (Denmark)

    Hadrup, Niels

    2014-01-01

    mechanisms of action, similar modes of action or with common target organs. In the European Union, efforts are currently being made to subgroup chemicals according to this need. However, it remains to be determined whether this is the best strategy to obtain data for risk assessment. In conditions...... such as cancer or HIV, it is generally recognised that pharmacological combination therapy targeting different mechanisms of action is more effective than a strategy where only one mechanism is targeted. Moreover, in diseases such as acute myocardial infarction and congestive heart failure, several organ systems...

  18. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  19. Conference Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Colman, B. [ed.

    1998-06-01

    Invited reviews and contributed papers comprise the Proceedings of the 3. International Symposium on Inorganic Carbon Acquisition by Aquatic Photosynthetic Organisms, held on the campus of the University of British Columbia from 28. July to 1. August 1998. The symposium was attended by 70 participants from Australia, Canada, Israel, Japan, the United States, and several western European countries, to discuss the unique problems of microorganisms in aquatic environments, particularly in the acquisition of inorganic carbon to support photosynthesis. It is known that aquatic microorganisms must obtain inorganic carbon from a medium where dissolved carbon dioxide is often present in limiting concentrations. Despite these limitations, evidence is widely available to show that aquatic plants can build up high intracellular concentrations of inorganic carbon under carbon-limited conditions that enable these plants to reduce or suppress photorespiration, a major source of carbon dioxide in C{sub 3} plants growing under carbon-limiting conditions. This active accumulation of carbon has been described as a carbon dioxide concentration mechanism (CCM). Papers at this symposium document advances in the physiology of inorganic carbon transport systems and their regulation in green algae, especially cyanobacteria, mechanisms of carbon acquisition, and ecological implications of CCMs and their role in the global carbon cycle.

  20. Two-microphone Separation of Speech Mixtures

    DEFF Research Database (Denmark)

    2006-01-01

    of Speech Mixtures," 2006, submited for journal publication. See also, [2] Michael Syskind Pedersen, DeLiang Wang, Jan Larsen and Ulrik Kjems: "Overcomplete Blind Source Separation by Combining ICA and Binary Time-Frequency Masking," in proceedings of IEEE International workshop on Machine Learning...

  1. Simulation study of water and sugar dynamics in supercooled mixtures

    Science.gov (United States)

    Molinero, Valeria; Cagin, Tahir; Goddard, William A.

    2003-03-01

    Water dynamics in concentrated carbohydrate solutions is of utmost importance in food and pharmaceutical technology, where low water mobility is desirable to slow down chemical degradation and preserve biomolecules. We have studied the microscopic mechanism of water diffusion in binary and polydisperse malto-oligosaccharides and water mixtures by means of molecular dynamics simulations. The computations were performed with a coarse grain model (M3B), derived from atomistic simulations of water and malto-oligosaccharides. The use of the M3B model permits simulations of the order of 0.1 microsecond, thus allowing us to explore water dynamics from the liquid to the deep supercooled regime. The dynamics of water confined in the sugar matrix is slowed down with respect to bulk water. We found that at low moisture content and low temperature, ranslational diffusion of water and glucose rotation proceed through a hopping-diffusion mechanism. Moreover, we found water mobility to be heterogeneous: there is a broad distribution of time scales for different water molecules in the mixtures. We discuss whether there is a relationship between the heterogeneous structure of these mixtures in the sub-nanometer scale and the heterogeneous dynamics of water molecules.

  2. Proceedings of the USAF/NATO Conference on Maintenance of Air Base Operations in a Chemical Warfare Environment Held in Williamsburg, Virginia on August - September 1987

    Science.gov (United States)

    1987-09-01

    meter area around the system in which no pipes , phone lines, or power lines are present. No communication devices or fixed hard disks are allowed on...Pressure in Suit. Discomfort to the wearer’s eardrums when straightening up from deep knee bends occurred in the prototype suit. The Salty Demo suit...Technical Manager U.S. Army U.S. Navy U.S. Air Force Chemical Division Chemical, Biological Special Projects Grp . CRDEC, Research Dir. Radiological Def

  3. Application of laser induced electron impact ionization to the deposition chemistry in the hot-wire chemical vapor deposition process with SiH4-NH3 gas mixtures.

    Science.gov (United States)

    Eustergerling, Brett; Hèden, Martin; Shi, Yujun

    2007-11-01

    The application of a laser-induced electron impact (LIEI) ionization source in studying the gas-phase chemistry of the SiH(4)/NH(3) hot-wire chemical vapor deposition (HWCVD) system has been investigated. The LIEI source is achieved by directing an unfocused laser beam containing both 118 nm (10.5 eV) vacuum ultraviolet (VUV) and 355 nm UV radiations to the repeller plate in a time-of-flight mass spectrometer. Comparison of the LIEI source with the conventional 118 nm VUV single-photon ionization (SPI) method has demonstrated that the intensities of the chemical species with ionization potentials (IP) above 10.5 eV, e.g., H(2), N(2) and He, have been significantly enhanced with the incorporation of the LIEI source. It is found that the SPI source due to the 118 nm VUV light coexists in the LIEI source. This allows simultaneous observations of parent ions with enhanced intensity from VUV SPI and their "fingerprint" fragmentation ions from LIEI. It is, therefore, an effective tool to diagnose the gas-phase chemical species involved with both NH(3) and SiH(4) in the HWCVD reactor. In using the LIEI source to SiH(4), NH(3) and their mixtures, it has been shown that the NH(3) decomposition is suppressed with the addition of SiH(4) molecules. Examination of the NH(3) decomposition percentage and the time to reach the N(2) and H(2) steady-state intensities for various NH(3)/SiH(4) mixtures suggests that the extent of the suppression is enhanced with more SiH(4) content in the mixture. With increasing filament temperatures, the negative effect of SiH(4) becomes less important.

  4. On the predictive capabilities of CPA for applications in the chemical industry: Mulficomponent mixtures containing methyl-methacrylate, dimethyl-ether or acetic acid

    DEFF Research Database (Denmark)

    Tsivintzelis, Ioannis; Kontogeorgis, Georgios

    2014-01-01

    with acetic acid, esters, ethers and alcohols, and in this case for water-acetic acid the CPA-Huron Vidal (CPA-HV) version of the model is used. For the latter binary mixture, new CPA-HV binary parameter sets are estimated using, among others, data for activity coefficients at infinite dilutions. The modeling...... for the acetic acid-water system for which different parameter sets at different temperatures can be recommended. Even with the use of CPA-HV mixing rules, modeling of the acetic acid-water system with few interaction parameters remains a challenging task. Excellent simultaneous VLE and LLE correlation...... is obtained for complex systems such as aqueous mixtures with ethers and esters. The multicomponent results are, with a few exceptions, very satisfactory, especially for the vapor-liquid equilibrium cases. For the demanding aqueous acetic acid-water containing systems, one parameter set is recommended...

  5. Modeling of chemical processes in the low pressure capacitive RF discharges in a mixture of Ar/C2H2

    CERN Document Server

    Ariskin, D A; Alexandrov, A L; Bogaerts, A; Peeters, F M

    2008-01-01

    We study the properties of a capacitive 13.56 MHz discharge properties with a mixture of Ar/C2H2 taking into account the plasmochemistry and growth of heavy hydrocarbons. A hybrid model was developed to combine the kinetic description for electron motion and the fluid approach for negative and positive ions transport and plasmochemical processes. A significant change of plasma parameters related to injection of 5.8% portion of acetylene in argon was observed and analyzed. We found that the electronegativity of the mixture is about 30%. The densities of negatively and positively charged heavy hydrocarbons are sufficiently large to be precursors for the formation of nanoparticles in the discharge volume.

  6. 化学衍生-溶剂结晶法从植物甾醇混合组分中分离豆甾醇%Separation of stigmasterol from phytosterol mixture by chemical derivatization and solvent crystallization

    Institute of Scientific and Technical Information of China (English)

    杨建洪; 杨顺楷; 曾辉; 吴中柳

    2012-01-01

    To develop a process for the separation of stigmasterol from phytosterol mixture by chemical derivatization and solvent crystallization. Its performance procedure, including acetylation, bromization, debromination, and saponification of phytosterol mixture, and crystallization with solvent, was used at the gramme level on a test bench. The yield of stigmasterol is 6. 9% and the recovery rate is 45. 7%. The phytosterol mixture was separated by the method. This illustrate that the method was feasible and suitable for a pilot run.%采用化学衍生和溶剂结晶法,建立起一条从植物甾醇混合组分分离豆甾醇的技术途径.通过对植物甾醇的乙酰化,溴化-脱溴和皂化反应,并结合相应试样的重结晶操作以分离豆甾醇.利用此方法从植物甾醇混合组分分离豆甾醇,其产率为6.9%,回收率45.7%,具有生物工业应用潜力.

  7. Comets and the origin of life; Proceedings of the Fifth College Park Colloquium on Chemical Evolution, University of Maryland, College Park, MD, October 29-31, 1980

    Science.gov (United States)

    Ponnamperuma, C.

    1981-01-01

    Papers are presented concerning the characteristics of comets and their possible role in the origin of life. Specific topics include the characteristics, origin and structure of the cometary nucleus, cometary chemical abundances, the nature of interplanetary dust and its entry into terrestrial planet atmospheres, and the mechanism of ray closure in comet tails. Attention is also given to chemically evolved interstellar dust as a source of prebiotic material, the relation of comets to paleoatmospheric photochemistry, comets as a vehicle for panspermia, limits to life posed by extreme environments, and the status of cometary space missions as of 1980.

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

    Science.gov (United States)

    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...

  9. Chemical and microbiological assessments of the multi mixture treated by gamma radiation; Avaliacao quimica e microbiologica da multimistura tratada por irradiacao gama

    Energy Technology Data Exchange (ETDEWEB)

    Goncalves, Cinthia Graciele

    2008-07-01

    In Brazil, the multi mixture have being used since the eighties as an alternative against severe infantile malnutrition of the poorest population. However, its use is still reason of controversies mainly due to: the presence of anti nutritional factors, the microbiological quality and the nutritional value. Considering the routine use of multi mixture in the region, this work aimed to evaluate samples of multi mixture were collected in the metropolitan area of the City of Belo Horizonte/MG for determining the anti nutritional factors (phytic and oxalic acids), the microbiological quality, the centesimal and mineral composition, and still the induced effect in these factors of the gamma radiation. For the analyses, the samples passed by the process of gamma irradiation at doses of: 2, 4, 6, 8 and 10 kGy and then were evaluated anti nutritional factors (phytic acid and oxalic), the microbiological quality (yeasts and molds, Salmonella, Coagulase positive Staphylococcus, Bacillus cereus, coliform to 45 deg C) to full percentage (moisture, ash, proteins, carbohydrates and lipids) and the efficiency of the method of Paramagnetic Electronic Resonance (EPR) in the detection of irradiated samples. The mineral composition of the samples was carried out by the irradiation by Neutronic Activation. The methods used were searched in literature. The obtained results suggest that the concentration of the phytic and oxalic acids can not be appropriated for the children with severe nutritional deficit and that it would be necessary additional control in their daily ingestion due to the absorption of essential minerals. In general the samples had presented acceptable microbiological quality for consumption, except by one of it. The data of the centesimal and mineral composition, in the usually recommended portions, showed lower concentration than recommended for children. Any significant alteration in phytic and oxalic acids as well as in the centesimal composition were detected

  10. Proceedings with confidence

    NARCIS (Netherlands)

    Cutler, A.

    1992-01-01

    Nobody loves published conference proceedings. I certainly don't, as readers of this magazine may remember (Forum, 14 December 1991). Proceedings are too big and unwieldy, and waste authors' time by insisting that they write papers to a rigid format. Publications in proceedings are unrefereed, add l

  11. Catalyst mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Masel, Richard I.; Rosen, Brian A.

    2017-02-14

    Catalysts that include at least one catalytically active element and one helper catalyst can be used to increase the rate or lower the overpotential of chemical reactions. The helper catalyst can simultaneously act as a director molecule, suppressing undesired reactions and thus increasing selectivity toward the desired reaction. These catalysts can be useful for a variety of chemical reactions including, in particular, the electrochemical conversion of CO.sub.2 or formic acid. The catalysts can also suppress H.sub.2 evolution, permitting electrochemical cell operation at potentials below RHE. Chemical processes and devices using the catalysts are also disclosed, including processes to produce CO, OH.sup.-, HCO.sup.-, H.sub.2CO, (HCO.sub.2).sup.-, H.sub.2CO.sub.2, CH.sub.3OH, CH.sub.4, C.sub.2H.sub.4, CH.sub.3CH.sub.2OH, CH.sub.3COO.sup.-, CH.sub.3COOH, C.sub.2H.sub.6, O.sub.2, H.sub.2, (COOH).sub.2, or (COO.sup.-).sub.2, and a specific device, namely, a CO.sub.2 sensor.

  12. 40 CFR 721.5769 - Mixture of nitrated alkylated phenols.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Mixture of nitrated alkylated phenols... Substances § 721.5769 Mixture of nitrated alkylated phenols. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as a mixture of nitrated alkylated...

  13. EFFECTS OF SIMPLIFIED CHEMICAL KINETIC MODEL ON THE MICRO-FLAME STRUCTURE AND TEMPERATURE OF THE LEAN PREMIXED METHANE-AIR MIXTURES

    Directory of Open Access Journals (Sweden)

    JUNJIE CHEN

    2015-07-01

    Full Text Available The effect of simplified chemical kinetic model on the micro-flame structure, central axis and wall temperatures were investigated with different one-step global chemical kinetic mechanisms following Mantel, Duterque and Fernández-Tarrazo models. Numerical investigations of the premixed methane-air flame in the micro-channel and lean conditions were carried out to compare and analyze the effect of the comprehensive chemical kinetic mechanisms. The results indicate that one-step global chemical kinetic mechanism affects both the micro-flame shape and the combustion temperature. Among three simulation models, Mantel model allows a stable micro-flame with a bamboo shoot form, which anchor at the inlet. Duterque model gives a stable elongated micro-flame with a considerable ignition delay, and a dead zone with fluid accumulation is observed at the entrance, which may explain the very high combustion temperature and the fast reaction rate obtained, despite the micro-flame development presents a very hot spot and causes a broadening of the combustion zone. Fernández-Tarrazo model results in a rapid extinction and doesn't seem to take all the kinetic behavior into account for the appropriate micro-combustion simulations.

  14. Toxicity of environmental chemicals and their mixtures to selected aquatic organisms. Behaviour, development and biochemistry; Toxizitaet von Umweltchemikalien und deren Mischungen auf ausgewaehlte aquatische Organismen. Verhalten, Entwicklung und Biochemie

    Energy Technology Data Exchange (ETDEWEB)

    Kienle, Cornelia

    2009-04-28

    , relevant and sensitive parameters for the different research topics/questions in the present work, and can also be recommended to be used to analyse interspecific interactions. To judge on the effects of pollutants on aquatic organisms in the environment, abiotic parameters as well as mixtures of pollutants should be included. Additionally, biochemical measurements as well as behavioural tests are important, to adequately assess the toxicity of pollutants. Therefore, for an integrated understanding of the effects of chemicals on aquatic organisms, a battery of different methods as well as more realistic exposure scenarios should be taken into account. (orig.)

  15. Contaminant mixtures and repoductive health: Developmental toxicity effects in rats after mixed exposure to environmentally relevant endocrine disrupting chemicals, with focus on effects in females

    DEFF Research Database (Denmark)

    Jacobsen, Pernille Rosenskjold; Christiansen, Sofie; Hass, Ulla

    disorders or later onset adult diseases. However, experimental evidence on the effects of developmental exposure to environmentally relevant endocrine disrupting chemicals in females has been missing attention. Since chemical exposure can affect female reproductive development it is important to investigate......Background: In toxicological testing, effects of endocrine disrupters are in most cases more thoroughly investigated in males than in females. In males the hypothesis of testicu lar dysgenesis syndrome (TDS) proposes that there is a common origin in fetal life of the increase in frequency observed...... in later years of for example incidence of boys born with hypospadias and young men with low semen quality in the human male population. Furthermore, it has been observed in animal studies that exposure during fetal life to endocrine disrupters may lead to similar adverse reproductive effects. It has been...

  16. Adsorption and chemical reaction of gaseous mixtures of hydrogen chloride and water on aluminum oxide and application to solid-propellant rocket exhaust clouds

    Science.gov (United States)

    Cofer, W. R., III; Pellett, G. L.

    1978-01-01

    Hydrogen chloride (HCl) and aluminum oxide (Al2O3) are major exhaust products of solid rocket motors (SRM). Samples of calcination-produced alumina were exposed to continuously flowing mixtures of gaseous HCl/H2O in nitrogen. Transient sorption rates, as well as maximum sorptive capacities, were found to be largely controlled by specific surface area for samples of alpha, theta, and gamma alumina. Sorption rates for small samples were characterized linearly with an empirical relationship that accounted for specific area and logarithmic time. Chemisorption occurred on all aluminas studied and appeared to form from the sorption of about a 2/5 HCl-to-H2O mole ratio. The chemisorbed phase was predominantly water soluble, yielding chloride/aluminum III ion mole ratios of about 3.3/1 suggestive of dissolved surface chlorides and/or oxychlorides. Isopiestic experiments in hydrochloric acid indicated that dissolution of alumina led to an increase in water-vapor pressure. Dissolution in aqueous SRM acid aerosol droplets, therefore, might be expected to promote evaporation.

  17. Mixture Density Mercer Kernels

    Data.gov (United States)

    National Aeronautics and Space Administration — We present a method of generating Mercer Kernels from an ensemble of probabilistic mixture models, where each mixture model is generated from a Bayesian mixture...

  18. Determination of polycyclic aromatic hydrocarbons in fractions in asphalt mixtures using liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization.

    Science.gov (United States)

    Nascimento, Paulo Cicero; Gobo, Luciana Assis; Bohrer, Denise; Carvalho, Leandro Machado; Cravo, Margareth Coutinho; Leite, Leni Figueiredo Mathias

    2015-07-01

    An analytical method using liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization for the determination of polycyclic aromatic hydrocarbons in asphalt fractions has been developed. The 14 compounds determined, characterized by having two or more condensed aromatic rings, are expected to be present in asphalt and are considered carcinogenic and mutagenic. The parameters of the atmospheric pressure chemical ionization interface were optimized to obtain the highest possible sensitivity for all of the compounds. The limits of detection ranged from 0.5 to 346.5 μg/L and the limits of quantification ranged from 1.7 to 1550 μg/L. The method was validated against a diesel particulate extract standard reference material (NIST SRM 1975), and the obtained concentrations agreed with the certified values. The method was applied to asphalt samples after its fractionation according to ASTM D4124 and the method of Green. The concentrations of the seven polycyclic aromatic hydrocarbons quantified in the sample ranged from 0.86 mg/kg for benzo[ghi]perylene to 98.32 mg/kg for fluorene.

  19. Proceedings of the U.S. Army Chemical Research, Development and Engineering Center Scientific Conference on Chemical Defense Research Held in Aberdeen Proving Ground, Maryland on 14-17 November 1989

    Science.gov (United States)

    1990-08-01

    Thermochemistry of High Energy Reactions ................ .......... 339 Eugene S. Domalski and Thomas L. Jobe, Jr. V. DETECTIO...Sharon A. Reutter, Nida Q. Legaspi, Robert D. Armstrong, and Robert J. Mioduszewski The Evaluation of a Synthetic Opiate Aerosol in Inducing Narcotic...HIGH ENERGY REACTIONS Eugene S. Domalski and Thomas L. Jobe, Jr. Chemical Thermodynamics Division National Institute of Standards and Technology

  20. Ultrafiltration of a polymer-electrolyte mixture

    NARCIS (Netherlands)

    Vonk, P; Noordman, T.R; Schippers, D; Tilstra, B; Wesselingh, J.A

    1997-01-01

    We present a mathematical model to describe the ultrafiltration behaviour of polymer-electrolyte mixtures. The model combines the proper thermodynamic forces (pressure, chemical potential and electrical potential differences) with multicomponent diffusion theory. The model is verified with experimen

  1. Uranium hexafluoride handling. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    1991-12-31

    The United States Department of Energy, Oak Ridge Field Office, and Martin Marietta Energy Systems, Inc., are co-sponsoring this Second International Conference on Uranium Hexafluoride Handling. The conference is offered as a forum for the exchange of information and concepts regarding the technical and regulatory issues and the safety aspects which relate to the handling of uranium hexafluoride. Through the papers presented here, we attempt not only to share technological advances and lessons learned, but also to demonstrate that we are concerned about the health and safety of our workers and the public, and are good stewards of the environment in which we all work and live. These proceedings are a compilation of the work of many experts in that phase of world-wide industry which comprises the nuclear fuel cycle. Their experience spans the entire range over which uranium hexafluoride is involved in the fuel cycle, from the production of UF{sub 6} from the naturally-occurring oxide to its re-conversion to oxide for reactor fuels. The papers furnish insights into the chemical, physical, and nuclear properties of uranium hexafluoride as they influence its transport, storage, and the design and operation of plant-scale facilities for production, processing, and conversion to oxide. The papers demonstrate, in an industry often cited for its excellent safety record, continuing efforts to further improve safety in all areas of handling uranium hexafluoride. Selected papers were processed separately for inclusion in the Energy Science and Technology Database.

  2. Determination of oxygen and nitrogen derivatives of polycyclic aromatic hydrocarbons in fractions of asphalt mixtures using liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization.

    Science.gov (United States)

    Nascimento, Paulo Cicero; Gobo, Luciana Assis; Bohrer, Denise; Carvalho, Leandro Machado; Cravo, Margareth Coutinho; Leite, Leni Figueiredo Mathias

    2015-12-01

    Liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization was used for the determination of polycyclic aromatic hydrocarbon derivatives, the oxygenated polycyclic aromatic hydrocarbons and nitrated polycyclic aromatic hydrocarbons, formed in asphalt fractions. Two different methods have been developed for the determination of five oxygenated and seven nitrated polycyclic aromatic hydrocarbons that are characterized by having two or more condensed aromatic rings and present mutagenic and carcinogenic properties. The parameters of the atmospheric pressure chemical ionization interface were optimized to obtain the highest possible sensitivity for all compounds. The detection limits of the methods ranged from 0.1 to 57.3 μg/L for nitrated and from 0.1 to 6.6 μg/L for oxygenated derivatives. The limits of quantification were in the range of 4.6-191 μg/L for nitrated and 0.3-8.9 μg/L for oxygenated derivatives. The methods were validated against a diesel particulate extract standard reference material (National Institute of Standards and Technology SRM 1975), and the obtained concentrations (two nitrated derivatives) agreed with the certified values. The methods were applied in the analysis of asphalt samples after their fractionation into asphaltenes and maltenes, according to American Society for Testing and Material D4124, where the maltenic fraction was further separated into its basic, acidic, and neutral parts following the method of Green. Only two nitrated derivatives were found in the asphalt sample, quinoline and 2-nitrofluorene, with concentrations of 9.26 and 2146 mg/kg, respectively, whereas no oxygenated derivatives were detected.

  3. Clinical Observation on Chemical Damage of Nephron and the Preventive and Therapeutic Effects of Baoshen Mixture (保肾合剂)on It

    Institute of Scientific and Technical Information of China (English)

    SONG Ting-ting; JIANG Yu-hua; LAN Xiao-zhu

    2007-01-01

    Objective: To observe the change of nephron damaged by chemotherapy and to evaluate the effect of Baoshen Mixture (保肾合剂, BSM) in protecting and treating damaged nephrons.Methods: Four hundred tumor patients with normal renal function and ready to receive chemotherapy were randomly assigned to two groups. Both groups received one cycle of chemotherapy program of 28-30 days with conventional hydratization, alkalization and chloridization. To the 200 cases in the treated group BSM was given orally thrice a day, 150 mL every time for 15 successive days and the other 200 cases in the control group were treated by chemotherapy alone. The clinical efficacy was compared after treatment, and the changed condition of damaged nephrons were monitored dynamically and compared at different time points (the 3rd, 7th, 14th and 21st day after chemotherapy)by measuring the micro-globulin β2 (β2-MG), albumin (AIb) and immunoglobulin G (IgG) levels in urine with radioimmunoassay (RIA). Results: (1) The effective rates in the treated group at the 4 time points of observation were all higher than those in the control group respectively (P<0.05 or P<0.01); (2)Less occurrence of abnormal β2-M, AIb and IgG levels on the 14th and 21st day in the treated group took place compared to that in the control group (P<0.01); (3) Urinary levels of β2-MG, AIb and IgG reached the peak on the 7th day in both groups, and then, they came down gradually and returned to the normal level on the 21 st day. However, comparison between the two groups showed that all the three parameters in the treated group on day 3, 14 and 21 were lower than the respective one at the corresponding time points in the control group (P<0.05 or P<0.01). Conclusion: The chemotherapy damage on nephron is regular in time, and reversible when treated suitably. TCM shows a marked effect in protecting and treating the damage on nephron caused by chemotherapy.

  4. Foaming of mixtures of pure hydrocarbons

    Science.gov (United States)

    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.

  5. Human exposure to unconventional natural gas development: A public health demonstration of periodic high exposure to chemical mixtures in ambient air.

    Science.gov (United States)

    Brown, David R; Lewis, Celia; Weinberger, Beth I

    2015-01-01

    Directional drilling and hydraulic fracturing of shale gas and oil bring industrial activity into close proximity to residences, schools, daycare centers and places where people spend their time. Multiple gas production sources can be sited near residences. Health care providers evaluating patient health need to know the chemicals present, the emissions from different sites and the intensity and frequency of the exposures. This research describes a hypothetical case study designed to provide a basic model that demonstrates the direct effect of weather on exposure patterns of particulate matter smaller than 2.5 microns (PM2.5) and volatile organic chemicals (VOCs). Because emissions from unconventional natural gas development (UNGD) sites are variable, a short term exposure profile is proposed that determines 6-hour assessments of emissions estimates, a time scale needed to assist physicians in the evaluation of individual exposures. The hypothetical case is based on observed conditions in shale gas development in Washington County, Pennsylvania, and on estimated emissions from facilities during gas development and production. An air exposure screening model was applied to determine the ambient concentration of VOCs and PM2.5 at different 6-hour periods of the day and night. Hourly wind speed, wind direction and cloud cover data from Pittsburgh International Airport were used to calculate the expected exposures. Fourteen months of daily observations were modeled. Higher than yearly average source terms were used to predict health impacts at periods when emissions are high. The frequency and intensity of exposures to PM2.5 and VOCs at a residence surrounded by three UNGD facilities was determined. The findings show that peak PM2.5 and VOC exposures occurred 83 times over the course of 14 months of well development. Among the stages of well development, the drilling, flaring and finishing, and gas production stages produced higher intensity exposures than the

  6. A homogeneous transition metal complex for clean hydrogen production from methanol-water mixtures

    Science.gov (United States)

    Rodríguez-Lugo, Rafael E.; Trincado, Mónica; Vogt, Matthias; Tewes, Friederike; Santiso-Quinones, Gustavo; Grützmacher, Hansjörg

    2013-04-01

    The development of an efficient catalytic process that mimics the enzymatic function of alcohol dehydrogenase is critical for using biomass alcohols for both the production of H2 as a chemical energy carrier and fine chemicals under waste-free conditions. Dehydrogenation of alcohol-water mixtures into their corresponding acids with molecular hydrogen as the sole by-product from the reaction can be catalysed by a ruthenium complex with a chelating bis(olefin) diazadiene ligand. This complex, [K(dme)2][Ru(H)(trop2dad)], stores up to two equivalents of hydrogen intramolecularly, and catalyses the production of H2 from alcohols in the presence of water and a base under homogeneous conditions. The conversion of a MeOH-H2O mixture proceeds selectively to CO2/H2 gas formation under neutral conditions, thereby allowing the use of the entire hydrogen content (12% by weight). Isolation and characterization of the ruthenium complexes from these reactions suggested a mechanistic scenario in which the trop2dad ligand behaves as a chemically ‘non-innocent’ co-operative ligand.

  7. A homogeneous transition metal complex for clean hydrogen production from methanol-water mixtures.

    Science.gov (United States)

    Rodríguez-Lugo, Rafael E; Trincado, Mónica; Vogt, Matthias; Tewes, Friederike; Santiso-Quinones, Gustavo; Grützmacher, Hansjörg

    2013-04-01

    The development of an efficient catalytic process that mimics the enzymatic function of alcohol dehydrogenase is critical for using biomass alcohols for both the production of H2 as a chemical energy carrier and fine chemicals under waste-free conditions. Dehydrogenation of alcohol-water mixtures into their corresponding acids with molecular hydrogen as the sole by-product from the reaction can be catalysed by a ruthenium complex with a chelating bis(olefin) diazadiene ligand. This complex, [K(dme)2][Ru(H)(trop2dad)], stores up to two equivalents of hydrogen intramolecularly, and catalyses the production of H2 from alcohols in the presence of water and a base under homogeneous conditions. The conversion of a MeOH-H2O mixture proceeds selectively to CO2/H2 gas formation under neutral conditions, thereby allowing the use of the entire hydrogen content (12% by weight). Isolation and characterization of the ruthenium complexes from these reactions suggested a mechanistic scenario in which the trop2dad ligand behaves as a chemically 'non-innocent' co-operative ligand.

  8. Optimal mixture experiments

    CERN Document Server

    Sinha, B K; Pal, Manisha; Das, P

    2014-01-01

    The book dwells mainly on the optimality aspects of mixture designs. As mixture models are a special case of regression models, a general discussion on regression designs has been presented, which includes topics like continuous designs, de la Garza phenomenon, Loewner order domination, Equivalence theorems for different optimality criteria and standard optimality results for single variable polynomial regression and multivariate linear and quadratic regression models. This is followed by a review of the available literature on estimation of parameters in mixture models. Based on recent research findings, the volume also introduces optimal mixture designs for estimation of optimum mixing proportions in different mixture models, which include Scheffé’s quadratic model, Darroch-Waller model, log- contrast model, mixture-amount models, random coefficient models and multi-response model.  Robust mixture designs and mixture designs in blocks have been also reviewed. Moreover, some applications of mixture desig...

  9. IPHE Infrastructure Workshop Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    None

    2010-02-01

    This proceedings contains information from the IPHE Infrastructure Workshop, a two-day interactive workshop held on February 25-26, 2010, to explore the market implementation needs for hydrogen fueling station development.

  10. Simultaneous and selective decarboxylation of L-serine and deamination of L-phenylalanine in an amino acid mixture--a means of separating amino acids for synthesizing biobased chemicals.

    Science.gov (United States)

    Teng, Yinglai; Scott, Elinor L; Witte-van Dijk, Susan C M; Sanders, Johan P M

    2016-01-25

    Amino acids (AAs) obtained from the hydrolysis of biomass-derived proteins are interesting feedstocks for the chemical industry. They can be prepared from the byproduct of biofuel production and agricultural wastes. They are rich in functionalities needed in petrochemicals, providing the opportunity to save energy, reagents, and process steps. However, their separation is required before they can be applied for further applications. Electrodialysis (ED) is a promising separation method, but its efficiency needs to be improved when separating AAs with similar isoelectric points. Thus, specific conversions are required to form product with different charges. Here we studied the enzymatic conversions which can be used as a means to aid the ED separation of neutral AAs. A model mixture containing L-serine, L-phenylalanine and L-methionine was used. The reactions of L-serine decarboxylase and L-phenylalanine ammonia-lyase were employed to specifically convert serine and phenylalanine into ethanolamine and trans-cinnamic acid. At the isoelectric point of methionine (pH 5.74), the charge of ethanolamine and trans-cinnamic acid are +1 and -1, therefore facilitating potential separation into three different streams by electrodialysis. Here the enzyme kinetics, specificity, inhibition and the operational stabilities were studied, showing that both enzymes can be applied simultaneously to aid the ED separation of neutral AAs.

  11. Low temperature asphalt mixtures

    OpenAIRE

    Modrijan, Damjan

    2006-01-01

    This thesis presents the problem of manufacturing and building in the asphalt mixtures produced by the classical hot procedure and the possibility of manufacturing low temperature asphalt mixtures.We will see the main advantages of low temperature asphalt mixtures prepared with bitumen with organic addition Sasobit and compare it to the classical asphalt mixtures. The advantages and disadvantages of that are valued in the practical example in the conclusion.

  12. Liquids and liquid mixtures

    CERN Document Server

    Rowlinson, J S; Baldwin, J E; Buckingham, A D; Danishefsky, S

    2013-01-01

    Liquids and Liquid Mixtures, Third Edition explores the equilibrium properties of liquids and liquid mixtures and relates them to the properties of the constituent molecules using the methods of statistical thermodynamics. Topics covered include the critical state, fluid mixtures at high pressures, and the statistical thermodynamics of fluids and mixtures. This book consists of eight chapters and begins with an overview of the liquid state and the thermodynamic properties of liquids and liquid mixtures, including vapor pressure and heat capacities. The discussion then turns to the thermodynami

  13. Electrochemical study of chemical properties in ethanolamine and its mixtures with water; Etude electrochimique de proprietes chimiques dans l'ethanolamine et ses melanges avec l'eau

    Energy Technology Data Exchange (ETDEWEB)

    Grall, M. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1964-12-01

    This work is concerned with the study of acid-base reactions and of complex formation in ethanolamine and its mixtures with water. The ionic product of the solvent has been determined by an electro-chemical study of the H{sup +}/H{sub 2} system. The reduction curves for ethanolamine-water mixtures, for different acidities, have made it possible to follow the variations in the size of the pH domain as a function of the composition of the solvent. The form of this variation has been explained on the basis of the dielectric constant and the solvation of the proton by the ethanolamine. In the second part, the electrochemical systems of mercury have been studied by anodic polarography. In order to establish a parallel between the acid-base reactions and complex formation reactions, we have studied the stability of Hg (CN){sub 2} in water-ethanolamine mixtures. It has been possible to deduce the law for the variation of pK{sub c} with solvent composition. The representative graph of this function passes through a minimum for a proportion of about 50 per cent of ethanolamine as in the case of acids. This variation has been explained by the predominating influence of {epsilon} for ethanolamine propositions of over 50 per cent and by that of the solvation of Hg{sup 2+} for proportions of under 50 per cent. (author) [French] Ce travail porte sur l'etude des reactions acides-bases et de formation de complexes dans l'ethanolamine et ses melanges avec l'eau. Le produit ionique du solvant a pu etre determine par l'etude electro-chimique du systeme H{sup +}/H{sub 2}. Les courbes de reduction des melanges ethanolamine-eau, pour des acidites variables, ont permis de suivre les variations de l'etendue du domaine de pH, en fonction de la composition du solvant. L'allure de cette variation a ete expliquee en faisant intervenir la constante dielectrique et la solvatation du proton par l'ethanolamine. Dans une deuxieme partie, les systemes

  14. Conference proceedings ISES 2014

    DEFF Research Database (Denmark)

    Christensen, Janne Winther; Peerstrup Ahrendt, Line; Malmkvist, Jens

    The 10th Internatinal Equitation Science Conference is held i Denmark from August 6th - 9th 2014. This book of proceedings contaions abstracts of 35 oral and 57 poster presentations within the conference themes Equine Stress, Learning and Training as well as free papers.......The 10th Internatinal Equitation Science Conference is held i Denmark from August 6th - 9th 2014. This book of proceedings contaions abstracts of 35 oral and 57 poster presentations within the conference themes Equine Stress, Learning and Training as well as free papers....

  15. An approach based on ultrahigh performance liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry allowing the quantification of both individual phytosteryl and phytostanyl fatty acid esters in complex mixtures.

    Science.gov (United States)

    Scholz, Birgit; Menzel, Nicole; Lander, Vera; Engel, Karl-Heinz

    2016-01-15

    A method for the analysis of both individual phytosteryl and phytostanyl fatty acid esters in complex mixtures was established. The approach was based on a previously not described combination of three elements: (i) the formation of [M-FA+H](+) fragment ions via APCI (atmospheric pressure chemical ionization), (ii) a highly efficient UHPLC-based separation on a 1.7 μ C8 column, previously established for phytostanyl fatty acid esters, allowing the distinction of individual fatty acid esters sharing the same sterol/stanol nucleus and of isotope peaks of phytosteryl fatty acid esters and corresponding phytostanyl fatty acid esters based on these [M-FA+H](+) fragment ions, and (iii) the adjustment of the APCI conditions allowing the differential APCI-MS-SIM (single ion monitoring) detection of phytostanyl esters of linoleic and linolenic acid based on their distinct formation of a [M+H](+) ion. The usefulness of the methodology was demonstrated by the analysis of a commercially available enriched margarine. Two runs per sample allowed the quantification of 35 target analytes; the total amounts of esters were between 124.7 and 125.3g/kg, being in good agreement with the labelled 125 g/kg. Validation data were elaborated for 35 individual fatty acid esters of sitosterol, campesterol, brassicasterol, stigmasterol, sitostanol and campestanol. Recovery rates ranged from 95 to 106%; the coefficients of variation were consistently quantification of both individual phytosteryl and phytostanyl fatty acid esters and thus closes an analytical gap related to this class of health-relevant food constituents.

  16. Systems and methods for removing components of a gas mixture

    Science.gov (United States)

    None

    2016-09-06

    A system for removing components of a gaseous mixture is provided comprising: a reactor fluid containing vessel having conduits extending therefrom, aqueous fluid within the reactor, the fluid containing a ligand and a metal, and at least one reactive surface within the vessel coupled to a power source. A method for removing a component from a gaseous mixture is provided comprising exposing the gaseous mixture to a fluid containing a ligand and a reactive metal, the exposing chemically binding the component of the gaseous mixture to the ligand. A method of capturing a component of a gaseous mixture is provided comprising: exposing the gaseous mixture to a fluid containing a ligand and a reactive metal, the exposing chemically binding the component of the gaseous mixture to the ligand, altering the oxidation state of the metal, the altering unbinding the component from the ligand, and capturing the component.

  17. FINPIE/97. Workshop proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    This publication contains the proceedings of 1997 Finnish Workshop on Power and Industrial Electronics, held in Espoo, Finland, on 26 August, 1997. The programme consisted of technical sessions on Advanced AC Motor Control, Electric Machines and Drives, Advanced Control and Measurement, Power Electronics Systems, Modelling and Simulation, and Power Converters

  18. EMAC Proceedings, Academic Sessions

    DEFF Research Database (Denmark)

    1997-01-01

    The EMAC Proceedings contains many papers related to digital information processing and telecommunications, reflecting the importance of the telecommunications industry, but also many papers on sensor systems and control systems are included. The papers come from all over Europe, from within...

  19. 75 FR 81459 - Simplified Proceedings

    Science.gov (United States)

    2010-12-28

    ... HEALTH REVIEW COMMISSION 29 CFR Part 2700 Simplified Proceedings AGENCY: Federal Mine Safety and Health... simplify the procedures for handling certain civil penalty proceedings. DATES: The final rule takes effect... ``Comments on Simplified Proceedings'' in the subject line and be sent to mmccord@fmshrc.gov . FOR...

  20. 34 CFR 85.965 - Legal proceedings.

    Science.gov (United States)

    2010-07-01

    ... 34 Education 1 2010-07-01 2010-07-01 false Legal proceedings. 85.965 Section 85.965 Education...) Definitions § 85.965 Legal proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31 U.S.C. 3801-3812), to...

  1. 29 CFR 1471.965 - Legal proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 4 2010-07-01 2010-07-01 false Legal proceedings. 1471.965 Section 1471.965 Labor... AND SUSPENSION (NONPROCUREMENT) Definitions § 1471.965 Legal proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud...

  2. 22 CFR 1006.965 - Legal proceedings.

    Science.gov (United States)

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Legal proceedings. 1006.965 Section 1006.965...) Definitions § 1006.965 Legal proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31 U.S.C....

  3. 29 CFR 98.965 - Legal proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Legal proceedings. 98.965 Section 98.965 Labor Office of the... proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31 U.S.C. 3801-3812), to which the Federal...

  4. 2 CFR 180.965 - Legal proceedings.

    Science.gov (United States)

    2010-01-01

    ... 2 Grants and Agreements 1 2010-01-01 2010-01-01 false Legal proceedings. 180.965 Section 180.965... § 180.965 Legal proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31 U.S.C. 3801-3812), to...

  5. 7 CFR 3017.965 - Legal proceedings.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 15 2010-01-01 2010-01-01 false Legal proceedings. 3017.965 Section 3017.965... Legal proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31 U.S.C. 3801-3812), to which...

  6. 21 CFR 1404.965 - Legal proceedings.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 9 2010-04-01 2010-04-01 false Legal proceedings. 1404.965 Section 1404.965 Food... (NONPROCUREMENT) Definitions § 1404.965 Legal proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31...

  7. 22 CFR 1508.965 - Legal proceedings.

    Science.gov (United States)

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Legal proceedings. 1508.965 Section 1508.965...) Definitions § 1508.965 Legal proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31 U.S.C....

  8. D-OPTIMAL EXPERIMENTAL DESIGNS TO TEST FOR DEPARTURE FROM ADDITIVITY IN A FIXED-RATIO RAY MIXTURE.

    Science.gov (United States)

    Risk assessors are becoming increasingly aware of the importance of assessing interactions between chemicals in a mixture. Most traditional designs for evaluating interactions are prohibitive when the number of chemicals in the mixture is large. However, evaluation of interacti...

  9. Endocrine disrupting chemicals

    DEFF Research Database (Denmark)

    Mandrup, Karen

    BACKGROUND: Endocrine disrupting chemicals (EDCs) may contribute to reproductive changes in boys in the Western world, however, less is known about influence of EDCs in women. The incidence of precocious breast development is increasing in USA and Europe and mammary gland development has been...... suggested as particularly sensitive to endocrine disruption. Mammary gland examination in toxicological studies may be useful for improving knowledge on possible influences of EDCs on human mammary glands and also be useful for detection of endocrine disrupting effects of chemicals as part of safety testing...... and genistein, a mixture of phytoestrogens, and a mixture of environmentally relevant estrogenic EDCs of various origins. Moreover, mixtures of antiandrogenic chemicals were investigated. These include a mixture of pesticides and a mixture of environmentally relevant anti-androgenic EDCs of various origins...

  10. Mixture risk assessment: a case study of Monsanto experiences.

    Science.gov (United States)

    Nair, R S; Dudek, B R; Grothe, D R; Johannsen, F R; Lamb, I C; Martens, M A; Sherman, J H; Stevens, M W

    1996-01-01

    Monsanto employs several pragmatic approaches for evaluating the toxicity of mixtures. These approaches are similar to those recommended by many national and international agencies. When conducting hazard and risk assessments, priority is always given to using data collected directly on the mixture of concern. To provide an example of the first tier of evaluation, actual data on acute respiratory irritation studies on mixtures were evaluated to determine whether the principle of additivity was applicable to the mixture evaluated. If actual data on the mixture are unavailable, extrapolation across similar mixtures is considered. Because many formulations are quite similar in composition, the toxicity data from one mixture can be extended to a closely related mixture in a scientifically justifiable manner. An example of a family of products where such extrapolations have been made is presented to exemplify this second approach. Lastly, if data on similar mixtures are unavailable, data on component fractions are used to predict the toxicity of the mixture. In this third approach, process knowledge and scientific judgement are used to determine how the known toxicological properties of the individual fractions affect toxicity of the mixture. Three examples of plant effluents where toxicological data on fractions were used to predict the toxicity of the mixture are discussed. The results of the analysis are used to discuss the predictive value of each of the above mentioned toxicological approaches for evaluating chemical mixtures.

  11. Quantum interaction. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Bruza, Peter [Queensland Univ. of Technology, Brisbane (Australia). Faculty of Science and Technology; Sofge, Donald [Navy Center for Applied Research in Artificial Intelligence, Washington, DC (United States). Naval Research Lab.; Lawless, William [Paine Coll., Augusta, GA (United States); Rijsbergen, Keith van [Glasgow Univ. (United Kingdom). Dept. of Computing Science; Klusch, Matthias (eds.) [German Research Center for Artificial Intelligence, Saarbruecken (Germany)

    2009-07-01

    This book constitutes the refereed proceedings of the Third International Symposium on Quantum Interaction, QI 2009, held in Saarbruecken, Germany, in March 2009. The 21 revised full papers presented together with the 3 position papers were carefully reviewed and selected from numerous submissions. The papers show the cross-disciplinary nature of quantum interaction covering topics such as computation, cognition, decision theory, information retrieval, information systems, social interaction, computational linguistics and finance. (orig.)

  12. Realistic environmental mixtures of micropollutants in surface, drinking, and recycled water: herbicides dominate the mixture toxicity toward algae.

    Science.gov (United States)

    Tang, Janet Y M; Escher, Beate I

    2014-06-01

    Mixture toxicity studies with herbicides have focused on a few priority components that are most likely to cause environmental impacts, and experimental mixtures were often designed as equipotent mixtures; however, real-world mixtures are made up of chemicals with different modes of toxic action at arbitrary concentration ratios. The toxicological significance of environmentally realistic mixtures has only been scarcely studied. Few studies have simultaneously compared the mixture effect of water samples with designed reference mixtures comprised of the ratios of analytically detected concentrations in toxicity tests. In the present study, the authors address the effect of herbicides and other chemicals on inhibition of photosynthesis and algal growth rate. The authors tested water samples including secondary treated wastewater effluent, recycled water, drinking water, and storm water in the combined algae assay. The detected chemicals were mixed in the concentration ratios detected, and the biological effects of the water samples were compared with the designed mixtures of individual detected chemicals to quantify the fraction of effect caused by unknown chemicals. The results showed that herbicides dominated the algal toxicity in these environmentally realistic mixtures, and the contribution by the non-herbicides was negligible. A 2-stage model, which used concentration addition within the groups of herbicides and non-herbicides followed by the model of independent action to predict the mixture effect of the two groups, could predict the experimental mixture toxicity effectively, but the concentration addition model for herbicides was robust and sufficient for complex mixtures. Therefore, the authors used the bioanalytical equivalency concept to derive effect-based trigger values for algal toxicity for monitoring water quality in recycled and surface water. All water samples tested would be compliant with the proposed trigger values associated with the

  13. Learning High-Dimensional Mixtures of Graphical Models

    CERN Document Server

    Anandkumar, A; Kakade, S M

    2012-01-01

    We consider the problem of learning mixtures of discrete graphical models in high dimensions and propose a novel method for estimating the mixture components with provable guarantees. The method proceeds mainly in three stages. In the first stage, it estimates the union of the Markov graphs of the mixture components (referred to as the union graph) via a series of rank tests. It then uses this estimated union graph to compute the mixture components via a spectral decomposition method. The spectral decomposition method was originally proposed for latent class models, and we adapt this method for learning the more general class of graphical model mixtures. In the end, the method produces tree approximations of the mixture components via the Chow-Liu algorithm. Our output is thus a tree-mixture model which serves as a good approximation to the underlying graphical model mixture. When the union graph has sparse node separators, we prove that our method has sample and computational complexities scaling as poly(p, ...

  14. A sealing mixture

    Energy Technology Data Exchange (ETDEWEB)

    Khayrullin, S.R.; Firsov, I.A.; Ongoyev, V.M.; Shekhtman, E.N.; Taskarin, B.T.

    1983-01-01

    A plugging mixture is proposed which contains triethanolamine, caustic soda, water and an additive. It is distinguished by the fact that in order to reduce the cost of the mixture while preserving its operational qualities, it additionally contains clay powder and as the additive, ground limestone with the following component ratio in percent by mass: ground limestone, 50 to 60; triethanolamine, 0.1 to 0.15; caustic soda, 2 to 3; clay powder, 8 to 10 and water the remainder. The mixture is distinguished by the fact that the ground limestone has a specific surface of 2,000 to 3,000 square centimeters per gram.

  15. Strategies for Transferring Mixtures of Organic Contaminants from Aquatic Environments into Bioassays

    DEFF Research Database (Denmark)

    Jahnke, Annika; Mayer, Philipp; Schäfer, Sabine;

    2016-01-01

    Mixtures of organic contaminants are ubiquitous in the environment. Depending on their persistence and physicochemical properties, individual chemicals that make up the mixture partition and distribute within the environment and might then jointly elicit toxicological effects. For the assessment...

  16. Application of Biologically-Based Lumping To Investigate the Toxicological Interactions of a Complex Gasoline Mixture

    Science.gov (United States)

    People are often exposed to complex mixtures of environmental chemicals such as gasoline, tobacco smoke, water contaminants, or food additives. However, investigators have often considered complex mixtures as one lumped entity. Valuable information can be obtained from these exp...

  17. Mixtures Equation Pilot Program to Reduce Animal Testing

    Science.gov (United States)

    EPA is announcing the start of a pilot program to evaluate the usefulness and acceptability of a mathematical tool (the GHS Mixtures Equation), which is used in the Globally Harmonized System of Classification and Labeling of Chemicals (GHS).

  18. 2015 Brainhack Proceedings

    OpenAIRE

    2016-01-01

    Table of contents I1 Introduction to the 2015 Brainhack Proceedings R. Cameron Craddock, Pierre Bellec, Daniel S. Margules, B. Nolan Nichols, Jörg P. Pfannmöller A1 Distributed collaboration: the case for the enhancement of Brainspell’s interface AmanPreet Badhwar, David Kennedy, Jean-Baptiste Poline, Roberto Toro A2 Advancing open science through NiData Ben Cipollini, Ariel Rokem A3 Integrating the Brain Imaging Data Structure (BIDS) standard into C-PAC Daniel Clark, Krzysztof J. Gorgolewski...

  19. Proceedings of XXIV international mineral processing congress

    Energy Technology Data Exchange (ETDEWEB)

    Wang Dianzuo; Sun Chuan Yao; Wang Fu Liang; Zhang Li Cheng; Han Long (eds.)

    2008-07-01

    Topics covered in volume 1 include applied mineralogy, comminution, classification, physical separation, flotation chemistry, sulphide flotation, non-sulphide flotation and reagent in mineral industry. Volume 2 covers processing of complex ores, processing of industrial minerals and coal, solid liquid separation, dispersion and aggregation, process simulation, expert systems and control of mineral processing, biohydrometallurgy, and mineral chemical processing. Volume 3 contains powder technology, mineral materials, treatment and recycling for solid wastes, waste water treatment, secondary resource recovery, soil remediation, concentrator engineering and process design, and application of mineral processing in related industry. It includes a CD-ROM of the proceedings.

  20. Chemical recognition software

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, J.S.; Trahan, M.W.; Nelson, W.E.; Hargis, P.H. Jr.; Tisone, G.C.

    1994-06-01

    We have developed a capability to make real time concentration measurements of individual chemicals in a complex mixture using a multispectral laser remote sensing system. Our chemical recognition and analysis software consists of three parts: (1) a rigorous multivariate analysis package for quantitative concentration and uncertainty estimates, (2) a genetic optimizer which customizes and tailors the multivariate algorithm for a particular application, and (3) an intelligent neural net chemical filter which pre-selects from the chemical database to find the appropriate candidate chemicals for quantitative analyses by the multivariate algorithms, as well as providing a quick-look concentration estimate and consistency check. Detailed simulations using both laboratory fluorescence data and computer synthesized spectra indicate that our software can make accurate concentration estimates from complex multicomponent mixtures, even when the mixture is noisy and contaminated with unknowns.

  1. Chemical recognition software

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, J.S.; Trahan, M.W.; Nelson, W.E.; Hargis, P.J. Jr.; Tisone, G.C.

    1994-12-01

    We have developed a capability to make real time concentration measurements of individual chemicals in a complex mixture using a multispectral laser remote sensing system. Our chemical recognition and analysis software consists of three parts: (1) a rigorous multivariate analysis package for quantitative concentration and uncertainty estimates, (2) a genetic optimizer which customizes and tailors the multivariate algorithm for a particular application, and (3) an intelligent neural net chemical filter which pre-selects from the chemical database to find the appropriate candidate chemicals for quantitative analyses by the multivariate algorithms, as well as providing a quick-look concentration estimate and consistency check. Detailed simulations using both laboratory fluorescence data and computer synthesized spectra indicate that our software can make accurate concentration estimates from complex multicomponent mixtures. even when the mixture is noisy and contaminated with unknowns.

  2. 75 FR 28223 - Simplified Proceedings

    Science.gov (United States)

    2010-05-20

    ... HEALTH REVIEW COMMISSION 29 CFR Part 2700 Simplified Proceedings AGENCY: Federal Mine Safety and Health... proposing a rule to simplify the procedures for handling certain civil penalty proceedings. DATES: Written... three copies of their comments. Electronic comments should state ``Comments on Simplified...

  3. Eighteenth symposium on biotechnology for fuels and chemicals: Program and abstracts

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-31

    This volume provides the proceedings for the Eighteenth Symposium on Biotechnology for Fuels and Chemicals held May 5-9, 1996 in Gatlinburg, Tennessee. The proceedings contains abstracts for oral and poster presentations.

  4. Efficient radiative transfer in dust grain mixtures

    CERN Document Server

    Wolf, S

    2003-01-01

    The influence of a dust grain mixture consisting of spherical dust grains with different radii and/or chemical composition on the resulting temperature structure and spectral energy distribution of a circumstellar shell is investigated. The comparison with the results based on an approximation of dust grain parameters representing the mean optical properties of the corresponding dust grain mixture reveal that (1) the temperature dispersion of a real dust grain mixture decreases substantially with increasing optical depth, converging towards the temperature distribution resulting from the approximation of mean dust grain parameters, and (2) the resulting spectral energy distributions do not differ by more than 10% if >= 2^5 grain sizes are considered which justifies the mean parameter approximation and the many results obtained under its assumption so far. Nevertheless, the dust grain temperature dispersion at the inner boundary of a dust shell may amount to >>100K and has therefore to be considered in the cor...

  5. Mixed waste: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Moghissi, A.A.; Blauvelt, R.K.; Benda, G.A.; Rothermich, N.E. [eds.] [Temple Univ., Philadelphia, PA (United States). Dept. of Environmental Safety and Health

    1993-12-31

    This volume contains the peer-reviewed and edited versions of papers submitted for presentation a the Second International Mixed Waste Symposium. Following the tradition of the First International Mixed Waste Symposium, these proceedings were prepared in advance of the meeting for distribution to participants. The symposium was organized by the Mixed Waste Committee of the American Society of Mechanical Engineers. The topics discussed at the symposium include: stabilization technologies, alternative treatment technologies, regulatory issues, vitrification technologies, characterization of wastes, thermal technologies, laboratory and analytical issues, waste storage and disposal, organic treatment technologies, waste minimization, packaging and transportation, treatment of mercury contaminated wastes and bioprocessing, and environmental restoration. Individual abstracts are catalogued separately for the data base.

  6. Imaging Sciences Workshop Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Candy, J.V.

    1996-11-21

    This report contains the proceedings of the Imaging Sciences Workshop sponsored by C.A.S.LS., the Center for Advanced Signal & Image Sciences. The Center, established primarily to provide a forum where researchers can freely exchange ideas on the signal and image sciences in a comfortable intellectual environment, has grown over the last two years with the opening of a Reference Library (located in Building 272). The Technical Program for the 1996 Workshop include a variety of efforts in the Imaging Sciences including applications in the Microwave Imaging, highlighted by the Micro-Impulse Radar (MIR) system invented at LLNL, as well as other applications in this area. Special sessions organized by various individuals in Speech, Acoustic Ocean Imaging, Radar Ocean Imaging, Ultrasonic Imaging, and Optical Imaging discuss various applica- tions of real world problems. For the more theoretical, sessions on Imaging Algorithms and Computed Tomography were organized as well as for the more pragmatic featuring a session on Imaging Systems.

  7. Chemical warfare in freshwater

    NARCIS (Netherlands)

    Mulderij, Gabi

    2006-01-01

    Aquatic macrophytes can excrete chemical substances into their enviroment and these compounds may inhibit the growth of phytoplankton. This process is defined as allelopathy: one organism has effects on another via the excretion of a (mixture of) chemical substance(s). With laboratory and field expe

  8. SIMS applications workshop. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-04-01

    The first ANSTO/AINSE SIMS Workshop drew together a mixture of Surface Analysis experts and Surface Analysis users with the concept that SIMS analysis has to be enfolded within the spectrum of surface analysis techniques and that the user should select the technique most applicable to the problem. With this concept in mind the program was structured as sessions on SIMS Facilities; Applications to Mineral Surfaces; Applications to Biological Systems, Applications to Surfaces as Semi- conductors, Catalysts and Surface Coatings; and Applications to Ceramics

  9. Analytical processing of binary mixture information by olfactory bulb glomeruli.

    Directory of Open Access Journals (Sweden)

    Max L Fletcher

    Full Text Available Odors are rarely composed of a single compound, but rather contain a large and complex variety of chemical components. Often, these mixtures are perceived as having unique qualities that can be quite different than the combination of their components. In many cases, a majority of the components of a mixture cannot be individually identified. This synthetic processing of odor information suggests that individual component representations of the mixture must interact somewhere along the olfactory pathway. The anatomical nature of sensory neuron input into segregated glomeruli with the bulb suggests that initial input of odor information into the bulb is analytic. However, a large network of interneurons within the olfactory bulb could allow for mixture interactions via mechanisms such as lateral inhibition. Currently in mammals, it is unclear if postsynaptic mitral/tufted cell glomerular mixture responses reflect the analytical mixture input, or provide the initial basis for synthetic processing with the olfactory system. To address this, olfactory bulb glomerular binary mixture representations were compared to representations of each component using transgenic mice expressing the calcium indicator G-CaMP2 in olfactory bulb mitral/tufted cells. Overall, dorsal surface mixture representations showed little mixture interaction and often appeared as a simple combination of the component representations. Based on this, it is concluded that dorsal surface glomerular mixture representations remain largely analytical with nearly all component information preserved.

  10. Chemical Characterization and Toxicologic Evaluation of Airborne Mixtures. Tumorigenicity Studies of Diesel Fuel-2, Red Smoke Dye and Violet Smoke Dyes in the SENCAR Mouse Skin Tumorigenesis Bioassay System

    Science.gov (United States)

    1985-09-01

    nitrosamides, sulfonates, sultones, and ureas. The 32 chemicals listed in Table 1 include such well known chemical carcino- gens as aflatoxin BI, bis...direct or indirect carcinogen at a subthreshold dose and is essentially irreversible. The promotion phase requires repetitive treatments after...34by initiators of mouse skin tumorigenesis. Cancer Res. 29: 510-514. Hennings, H., B. Michael, and E. Patterson. 1978. Croton oil enhancement of skin

  11. Bioaccessibility assessment of patulin and ochratoxin A in cereal and fruit based baby foods using a harmonized in vitro digestion model: contribution for the risk assessment of chemical mixtures

    OpenAIRE

    Assunção, R.; Martins, C.; Leclerc Duarte, E.; Alvito, P.

    2015-01-01

    People, animals and the environment can be exposed to multiple chemicals at once from a variety of sources, but current risk assessment is usually carried out on one chemical substance at a time. Mycotoxins are fungal natural contaminants commonly found in a variety of foods including baby foods and have been found in cereal and fruit based baby foods. In human health risk assessment, ingestion of food is considered a major route of exposure to many contaminants including mycotoxins, although...

  12. 33 CFR 109.15 - Enforcement proceedings.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Enforcement proceedings. 109.15... GENERAL § 109.15 Enforcement proceedings. Proceedings against a vessel violating the Anchorage Regulations... of the Port. When the vessel is at a port where there is no Coast Guard officer, proceedings will...

  13. 39 CFR 3020.35 - Further proceedings.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Further proceedings. 3020.35 Section 3020.35... proceedings. If the Commission determines that further proceedings are necessary, a conference shall be...) Explain the reasons for not going forward with additional proceedings and approve the request to...

  14. 12 CFR 225.31 - Control proceedings.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 3 2010-01-01 2010-01-01 false Control proceedings. 225.31 Section 225.31... Proceedings § 225.31 Control proceedings. (a) Preliminary determination of control. (1) The Board may issue a... proceeding. (c) Hearing and final determination. (1) The Board shall order a formal hearing or...

  15. 29 CFR 8.16 - Oral proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Oral proceedings. 8.16 Section 8.16 Labor Office of the... General Procedural Matters § 8.16 Oral proceedings. (a) With respect to any proceedings before it, the... of the proceeding. (b) In its discretion, the Board or a single presiding member may permit...

  16. 25 CFR 11.606 - Dissolution proceedings.

    Science.gov (United States)

    2010-04-01

    ... 25 Indians 1 2010-04-01 2010-04-01 false Dissolution proceedings. 11.606 Section 11.606 Indians... ORDER CODE Domestic Relations § 11.606 Dissolution proceedings. (a) Either or both parties to the marriage may initiate dissolution proceedings. (b) If a proceeding is commenced by one of the parties,...

  17. 49 CFR 6.31 - Further proceedings.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 1 2010-10-01 2010-10-01 false Further proceedings. 6.31 Section 6.31... PROCEEDINGS Procedures for Considering Applications § 6.31 Further proceedings. (a) Ordinarily, the... proceedings, such as an informal conference, oral argument, additional written submissions or an...

  18. 47 CFR 1.1208 - Restricted proceedings.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false Restricted proceedings. 1.1208 Section 1.1208... Restricted Proceedings § 1.1208 Restricted proceedings. Unless otherwise provided by the Commission or its... in all proceedings not listed as exempt in § 1.1204(b) or permit-but-disclose in § 1.1206(a) of...

  19. 45 CFR 81.121 - Posttermination proceedings.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Posttermination proceedings. 81.121 Section 81.121... HEARINGS UNDER PART 80 OF THIS TITLE Posttermination Proceedings § 81.121 Posttermination proceedings. (a... Federal financial assistance in consequence of proceedings pursuant to this title may request...

  20. 29 CFR 18.42 - Expedited proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Expedited proceedings. 18.42 Section 18.42 Labor Office of... OF ADMINISTRATIVE LAW JUDGES General § 18.42 Expedited proceedings. (a) When expedited proceedings are required by statute or regulation, or at any time after commencement of a proceeding, any...

  1. 22 CFR 1423.31 - Backpay proceedings.

    Science.gov (United States)

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Backpay proceedings. 1423.31 Section 1423.31... PRACTICE PROCEEDINGS § 1423.31 Backpay proceedings. After the entry of a Board order directing payment of... proceeding, the Regional Director may issue and serve on all parties a backpay specification accompanied by...

  2. 39 CFR 3020.56 - Further proceedings.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Further proceedings. 3020.56 Section 3020.56... proceedings. If the Commission determines that further proceedings are necessary, a conference shall be... reasons for not going forward with formal proceedings; or (d) Direct other action as the Commission...

  3. 34 CFR 668.85 - Suspension proceedings.

    Science.gov (United States)

    2010-07-01

    ... 34 Education 3 2010-07-01 2010-07-01 false Suspension proceedings. 668.85 Section 668.85 Education... Proceedings § 668.85 Suspension proceedings. (a) Scope and consequences. (1) The Secretary may suspend an... a suspension proceeding against a third-party servicer, the Secretary also may begin a...

  4. 28 CFR 2.14 - Subsequent proceedings.

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Subsequent proceedings. 2.14 Section 2.14... proceedings. (a) Interim proceedings. The purpose of an interim hearing required by 18 U.S.C. 4208(h) shall be... date or commence rescission proceedings as provided by § 2.34; (iv) Advance the parole date...

  5. 28 CFR 0.13 - Legal proceedings.

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Legal proceedings. 0.13 Section 0.13... Attorney General § 0.13 Legal proceedings. (a) Each Assistant Attorney General and Deputy Assistant... to conduct any legal proceeding, civil or criminal, including grand jury proceedings and...

  6. 46 CFR 502.61 - Proceedings.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 9 2010-10-01 2010-10-01 false Proceedings. 502.61 Section 502.61 Shipping FEDERAL MARITIME COMMISSION GENERAL AND ADMINISTRATIVE PROVISIONS RULES OF PRACTICE AND PROCEDURE Proceedings; Pleadings; Motions; Replies § 502.61 Proceedings. (a) Proceedings are commenced by the filing of a...

  7. Tandem mass spectrometry: analysis of complex mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Singleton, K.E.

    1985-01-01

    Applications of tandem mass spectrometry (MS/MS) for the analysis of complex mixtures results in increased specificity and selectivity by using a variety of reagent gases in both negative and positive ion modes. Natural isotopic abundance ratios were examined in both simple and complex mixtures using parent, daughter and neutral loss scans. MS/MS was also used to discover new compounds. Daughter scans were used to identify seven new alkaloids in a cactus species. Three of these alkaloids were novel compounds, and included the first simple, fully aromatic isoquinoline alkaloids reported in Cactaceae. MS/MS was used to characterize the chemical reaction products of coal in studies designed to probe its macromolecular structure. Negative ion chemical ionization was utilized to study reaction products resulting from the oxidation of coal. Possible structural units in the precursor coal were predicted based on the reaction products identified, aliphatic and aromatic acids and their anhydrides. The MS/MS method was also used to characterize reaction products resulting from coal liquefaction and/or extraction. These studies illustrate the types of problems for which MS/MS is useful. Emphasis has been placed on characterization of complex mixtures by selecting experimental parameters which enhance the information obtained. The value of using MS/MS in conjunction with other analytical techniques as well as the chemical pretreatment is demonstrated.

  8. Pointer Sentinel Mixture Models

    OpenAIRE

    Merity, Stephen; Xiong, Caiming; Bradbury, James; Socher, Richard

    2016-01-01

    Recent neural network sequence models with softmax classifiers have achieved their best language modeling performance only with very large hidden states and large vocabularies. Even then they struggle to predict rare or unseen words even if the context makes the prediction unambiguous. We introduce the pointer sentinel mixture architecture for neural sequence models which has the ability to either reproduce a word from the recent context or produce a word from a standard softmax classifier. O...

  9. NIC symposium 2010. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Muenster, Gernot [Muenster Univ. (Germany). Inst. fuer Theoretische Physik 1; Wolf, Dietrich [Duisburg-Essen Univ., Duisburg (Germany). Fakultaet fuer Physik; Kremer, Manfred (eds.) [Forschungszentrum Juelich GmbH (DE). Juelich Supercomputing Centre (JSC)

    2012-06-21

    The fifth NIC-Symposium gave an overview of the activities of the John von Neumann Institute for Computing (NIC) and of the results obtained in the last two years by research groups supported by the NIC. The large recent progress in supercomputing is highlighted by the fact that the newly installed Blue Gene/P system in Juelich - with a peak performance of 1 Petaflop/s - currently ranks number four in the TOP500 list. This development opens new dimensions in simulation science for researchers in Germany and Europe. NIC - a joint foundation of Forschungszentrum Juelich, Deutsches Elektronen-Synchrotron (DESY) and Gesellschaft fuer Schwerionenforschung (GSI) - supports with its members' supercomputer facilities about 130 research groups at universities and national labs working on computer simulations in various fields of science. Fifteen invited lectures covered selected topics in the following fields: Astrophysics Biophysics Chemistry Elementary Particle Physics Condensed Matter Materials Science Soft Matter Science Environmental Research Hydrodynamics and turbulence Plasma Physics Computer Science The talks are intended to inform a broad audience of scientists and the interested public about the research activities at NIC. The proceedings of the symposium cover projects that have been supported by the IBM supercomputers JUMP and IBM Blue Gene/P in Juelich and the APE topical computer at DESY-Zeuthen in an even wider range than the lectures.

  10. LHC Nobel Symposium Proceedings

    Science.gov (United States)

    Ekelöf, Tord

    2013-12-01

    puzzlement. The apparent absence of hints in the LHC experimental data of new phenomena that could relate to dark matter, dark energy, the dominance of matter over antimatter in the Universe, the unification of the strong and the electroweak interactions and their further unification with gravity left the Symposium with no guidance as to how to answer the question: what next? And in experimental fundamental science it is not the confirmation of already established theories that thrills the most; it is the appearance of the unexpected that creates the greatest excitement. However, the LHC is only at the beginning of its voyage into the uncharted territories of higher energies and smaller dimensions that it was built for, so the possibilities for unexpected discoveries are only starting to be explored. The LHC will start up again in 2015 with nearly twice its previous energy and with increased luminosity—new discoveries might then appear sooner than we even dare hope for! The LHC Nobel Symposium was attended by about 60 invited participants and lasted four days. The program was divided into seven sessions; QCD and Heavy Ion Physics, B Physics, Electroweak Physics, The Higgs Boson, Connections to Neutrino Physics and Astroparticle Physics, Beyond the Standard Model and Forward Look. There were 27 plenary invited talks given by participants, each followed by lively discussions. All but one of the speakers have submitted write-ups of their talks for these proceedings. We are hopeful that the remaining talk will be published in a forthcoming issue of Physica Scripta . I am gratified that Professor Roland Allen has agreed to write a paper on the essence of the Higgs boson discovery to be published in Physica Scripta , intended for undergraduate students and educated physicists, regardless of their field of research. I wish to express my deep gratitude to all Speakers and Participants in the Symposium, to the Members of the Local and International Organizing Committees, to the

  11. Análisis Químico de Mezclas Biodiesel de Aceite de Cocina Usado y Diesel por Espectroscopia Infrarroja Chemical Analysis of Mixtures of Biodiesel from Used Cooking Oil and Diesel by Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Jennifer J Lafont

    2011-01-01

    Full Text Available Se propone un método eficiente para determinar los porcentajes óptimos de mezclas biodiesel de aceite usado y diesel, para uso automotor. El procedimiento consiste en recolección del aceite usado, limpieza de residuos, y obtención del biodiesel mediante una reacción de transesterificación, con diferentes proporciones molares metanol/aceite . Las muestras fueron analizadas por espectroscopia infrarroja. Se encontró que una proporción metanol/aceite de 1:8 presentó mayor rendimiento en la obtención de biodiesel. Los espectros de infrarrojo mostraron el incremento del máximo de carbonilo de los esteres metílicos al aumentar las concentraciones de biodiesel en las mezcla biodiesel+diesel. Se concluye que la técnica usada cumple con la ley de Beer-Lambert y es adecuada para cuantificar este tipo de mezclas.An efficient method to determine the optimum percentages of blends biodiesel from used oil and diesel for automotive use, is proposed. The procedure consists of recollection of used frying oil, residue cleaning and synthesis of biodiesel by a transesterification reaction with different molar proportions of methanol/oil. The samples were analyzed by infrared spectroscopy. It was found that a ratio methanol/oil of 1:8 showed higher performance in the production of biodiesel. The infrared spectra showed an increase in the carbonyl peak of the methyl esters with the increase of the concentration of biodiesel in the mixtures biodiesel+diesel. It is concluded that proposed technique complies with the Beer-Lambert law and it is a good method to quantify these types of mixtures.

  12. Eurocorr 2001. Congress proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    papers are presented under the following session headings: corrosion and scale inhibitors; corrosion by hot gases and combustion products; nuclear corrosion; corrosion education; physical-chemical methods of testing; marine corrosion and cathodic protection; microbial corrosion; corrosion of reinforcement in concrete; corrosion in oil and gas production and corrosion in the refinery industry.

  13. Essays on Finite Mixture Models

    NARCIS (Netherlands)

    A. van Dijk (Bram)

    2009-01-01

    textabstractFinite mixture distributions are a weighted average of a ¯nite number of distributions. The latter are usually called the mixture components. The weights are usually described by a multinomial distribution and are sometimes called mixing proportions. The mixture components may be the sam

  14. Mixtures of truncated basis functions

    DEFF Research Database (Denmark)

    Langseth, Helge; Nielsen, Thomas Dyhre; Rumí, Rafael

    2012-01-01

    In this paper we propose a framework, called mixtures of truncated basis functions (MoTBFs), for representing general hybrid Bayesian networks. The proposed framework generalizes both the mixture of truncated exponentials (MTEs) framework and the mixture of polynomials (MoPs) framework. Similar...

  15. Separating Underdetermined Convolutive Speech Mixtures

    DEFF Research Database (Denmark)

    Pedersen, Michael Syskind; Wang, DeLiang; Larsen, Jan

    2006-01-01

    a method for underdetermined blind source separation of convolutive mixtures. The proposed framework is applicable for separation of instantaneous as well as convolutive speech mixtures. It is possible to iteratively extract each speech signal from the mixture by combining blind source separation...

  16. 77 FR 26430 - Unfair Labor Practice Proceedings; Negotiability Proceedings; Review of Arbitration Awards...

    Science.gov (United States)

    2012-05-04

    ... requests for Federal Service Impasses Panel assistance in the resolution of negotiation impasses. See 77 FR... Proceedings; Review of Arbitration Awards; Miscellaneous and General Requirements AGENCY: Federal Labor... Practice Proceedings, part 2424, Negotiability Proceedings, part 2425, Review of Arbitration Awards,...

  17. Village Power `97. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Cardinal, J.; Flowers, L.; Taylor, R.; Weingart, J. [eds.

    1997-09-01

    It is estimated that two billion people live without electricity and its services. In addition, there is a sizable number of rural villages that have limited electrical service, with either part-day operation by diesel gen-sets or partial electrification (local school or community center and several nearby houses). For many villages connected to the grid, power is often sporadically available and of poor quality. The U.S. National Renewable Energy Laboratory (NREL) in Golden, Colorado, has initiated a program to address these potential electricity opportunities in rural villages through the application of renewable energy (RE) technologies. The objective of this program is to develop and implement applications that demonstrate the technical performance, economic competitiveness, operational viability, and environmental benefits of renewable rural electric solutions, compared to the conventional options of line extension and isolated diesel mini-grids. These four attributes foster sustainability; therefore, the program is entitled Renewables for Sustainable Village Power (RSVP). The RSVP program is a multi-disciplinary, multi-technology, multi-application program composed of six key activities, including village application development, computer model development, systems analysis, pilot project development, technical assistance, and an Internet-based village power project database. The current program emphasizes wind, photovoltaics (PV), and their hybrids with diesel gen-sets. NREL`s RSVP team is currently involved in rural electricity projects in thirteen countries, with U.S., foreign, and internationally based agencies and institutions. This document contains reports presented at the Proceedings of Village Power, 1997. Individual projects have been processed separately for the United States Department of Energy databases.

  18. Combustion of soybean oil and diesel mixtures for heating purposes

    Energy Technology Data Exchange (ETDEWEB)

    Guimaraes, Adriana Correa; Sanz, Jose Francisco [European University Miguel de Cervantes, Valladolid (Spain)], E-mail: acorrea@uemc.es; Hernandez, Salvador; Navas, Luis Manuel; Rodriguez, Elena; Ruiz, Gonzalo [University of Valladolid (Spain). Dept. of Agricultural and Forest Engineering; San Jose, Julio [University of Valladolid (Spain). Dept. of Energetic Engineering; Gomez, Jaime [University of Valladolid (Spain). Dept. of Communications and Signal Theory and Telematics Engineering

    2008-07-01

    Using blends of vegetable oils with petroleum derivates for heating purposes has several advantages over other energy application for vegetable oils. This paper presents the results of an investigation by use of soybean oil and diesel mixture as fuel for producing heat in conventional diesel installation. The paper is set out as follows: properties characterization of soybean oil as fuel and of diesel oil, as well as the mixture of both; selection of the mixture according to their physical chemical properties and how they adapt to conventional combustion installation; experimentation with the selected mixture, allowing the main combustion parameters to be measured; processing the collected data, values of combustion, efficiency and reduction of emissions. Conclusions show that the use of soybean oil and diesel mixture for producing heat energy in conventional equipment is feasible and beneficial for reduction emissions. (author)

  19. Cementitious barriers partnership concrete mixture characterization

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Protiere, Yannick [SIMCO Technologies, Inc., Quebec (Canada)

    2014-12-01

    This report summarizes the characterization study performed on two concrete mixtures used for radioactive waste storage. Both mixtures were prepared with approximately 425 kg of binder. The testing protocol mostly focused on determining the transport properties of the mixtures; volume of permeable voids (porosity), diffusion coefficients, and water permeability were evaluated. Tests were performed after different curing durations. In order to obtain data on the statistical distribution of transport properties, the measurements after 2 years of curing were performed on 10+ samples. Overall, both mixtures exhibited very low tortuosities and permeabilities, a direct consequence of their low water-to-binder ratio and the use of supplementary cementitious materials. The data generated on 2-year old samples showed that porosity, tortuosity and permeability follow a normal distribution. Chloride ponding tests were also performed on test samples. They showed limited chloride ingress, in line with measured transport properties. These test results also showed that both materials react differently with chloride, a consequence of the differences in the binder chemical compositions.

  20. Concrete mixture characterization. Cementitious barriers partnership

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Protiere, Yannick [SIMCO Technologies, Inc., Quebec (Canada)

    2014-12-01

    This report summarizes the characterization study performed on two concrete mixtures used for radioactive waste storage. Both mixtures were prepared with approximately 425 kg of binder. The testing protocol mostly focused on determining the transport properties of the mixtures; volume of permeable voids (porosity), diffusion coefficients, and water permeability were evaluated. Tests were performed after different curing durations. In order to obtain data on the statistical distribution of transport properties, the measurements after 2 years of curing were performed on 10+ samples. Overall, both mixtures exhibited very low tortuosities and permeabilities, a direct consequence of their low water-to-binder ratio and the use of supplementary cementitious materials. The data generated on 2-year old samples showed that porosity, tortuosity and permeability follow a normal distribution. Chloride ponding tests were also performed on test samples. They showed limited chloride ingress, in line with measured transport properties. These test results also showed that both materials react differently with chloride, a consequence of the differences in the binder chemical compositions.

  1. Chemical reaction and separation method

    NARCIS (Netherlands)

    Jansen, J.C.; Kapteijn, F.; Strous, S.A.

    2005-01-01

    The invention is directed to process for performing a chemical reaction in a reaction mixture, which reaction produces water as by-product, wherein the reaction mixture is in contact with a hydroxy sodalite membrane, through which water produced during the reaction is removed from the reaction mixtu

  2. Study on the Synthesis of Chemical Intermediate from the Mixture of o-Cresol, m-Cresol and p-Cresol%混合邻间对甲酚制备化工中间体的工艺研究

    Institute of Scientific and Technical Information of China (English)

    吴鸿宾

    2014-01-01

    以介孔分子筛为催化剂,催化烷基化混合邻间对甲酚制备6-叔丁基邻甲酚、6-叔丁基间甲酚、2-叔丁基对甲酚混合液,并精馏获得三种叔丁基甲酚纯品。考查了催化剂用量、异丁烯用量、反应温度等反应条件对烷基化反应的影响,确定了最佳工艺条件。结果表明,催化剂为三混甲酚用量的2.0%(质量),异丁烯用量与三混甲酚用量之比为1.05∶1(摩尔比),最佳反应温度为95℃的反应条件下,三混甲酚的总转化率达到96.25%以上,反应液中目标产品含量达94.67%,产品选择性可达98.36%。精馏后,6-叔丁基邻甲酚、6-叔丁基间甲酚、2-叔丁基对甲酚三种产品的质量含量分别为99.75%、99.57%、99.54%。整个工艺过程安全环保,成本低,能耗低,收益高。%The alkylation reaction of mixture of o-cresol,m-cresol and p-cresol catalyzed by mesoporous molecular sieve catalyst to 2-tert-butyl-o-cresol,6-tert-butyl-m-cresol and 2-tert-butyl-p-cresol was studied. The effects of reaction conditions,namely catalyst dosage,isobutene dosage and reaction temperature were investigated. The reaction conditions were determined. The experimental results showed that the conversion could reach 96.25%, the selectivity could reach 98.36 % under the reaction conditions of reaction: catalyst/the cresol mixture weight ratio of 2%, temperature 95℃. The process is safe and environmentally friendly with low cost and low energy consumption.

  3. Mixture Based Outlier Filtration

    Directory of Open Access Journals (Sweden)

    P. Pecherková

    2006-01-01

    Full Text Available Success/failure of adaptive control algorithms – especially those designed using the Linear Quadratic Gaussian criterion – depends on the quality of the process data used for model identification. One of the most harmful types of process data corruptions are outliers, i.e. ‘wrong data’ lying far away from the range of real data. The presence of outliers in the data negatively affects an estimation of the dynamics of the system. This effect is magnified when the outliers are grouped into blocks. In this paper, we propose an algorithm for outlier detection and removal. It is based on modelling the corrupted data by a two-component probabilistic mixture. The first component of the mixture models uncorrupted process data, while the second models outliers. When the outlier component is detected to be active, a prediction from the uncorrupted data component is computed and used as a reconstruction of the observed data. The resulting reconstruction filter is compared to standard methods on simulated and real data. The filter exhibits excellent properties, especially in the case of blocks of outliers. 

  4. Physical and chemical properties of binary mixture of N-butylpyridinium nitrate and alcohol%吡啶硝酸盐与醇二元混合体系物化性能研究

    Institute of Scientific and Technical Information of China (English)

    王建英; 梁丽亚; 昝昊搏; 胡永琪

    2012-01-01

    In this paper, MDY-2 electronic densitometer and Germany DCAT21 automatic surface tension meter are used to measure the density and surface tension over the whole concentration range (the molar fraction of ionic liquids in oganic solvents is 0~l) for the binary mixtures of ionic liquids N-butylpyridinium nitrate ([BuPy]NO3) and organic solvents such as metha-nol,ethanol and butanol at the temperature of 298. 15 K. The excess molar volumes VE and the surface tension deviations δγ of binary mixtures {[BuPy]NO3+CH3OH},{[BuPy]NO3+C2H5OH} and {[BuPy]NO3+C4H9OH} are determined. VE and δγ are fitted by using the Redlich-Kister equation. The results show that the excess molar volumes of binary mixtures of {[BuPy]NO3+CH3OH} and {[BuPy]NO3+C2H5()H} are negative over the whole composition range, while the VE of binary mixture {[BuPy]NO3 +C, H9OH} has positive values at low molar fraction of ionic liquid, passing through a maximum and then decreases and becomes negative, showing minimum at higher ionic liquid molar fractioa The surface tension deviations δr of {[BuPy]NO3 +CH3OH} systems are positive, but those of {[BuPy]NO3 +Cz H5OH} and {[BuPy]NO3 +G, H9OH} systems are negative over the entire molar fraction range. It seems that surface tension deviations δγ varys from positive to negative with the increase of alkyl chain length of alcohols.%采用MDY-2电子密度仪和德国DCAT21全自动表面张力仪,在298.15 K下测定了离子液体N-丁基吡啶硝酸盐(N-butylpyridinium nitrate,[BuPy]NO3)与有机溶剂甲醇、乙醇、正丁醇在全浓度范围内(离子液体在有机溶剂中的摩尔分数为0~1)的密度和表面张力,计算了二元体系{[BuPy]NO3+CH3OH},{[BuPy]NO3 +C2H5OH}和{[BuPy] NO3+C4H9OH}的超额摩尔体积VE和表面张力偏差δγ,分别利用Redlich-Kister方程对二元体系的超额摩尔体积VE和表面张力偏差δγ进行了拟合.结果表明:二元体系{[BuPy] NO3 +CH3 OH}和{[BuPy] NO3 +C2 H5 OH}的超额摩尔体积VE

  5. Microwaves in chemistry: Another way of heating reaction mixtures

    Science.gov (United States)

    Berlan, J.

    1995-04-01

    The question of a possible "microwave activation" of chemical reaction is discussed. In fact two cases should be distinguished: homogeneous or heterogeneous reaction mixtures. In homogeneous mixtures there are no (or very low) rate enhancements compared to a conventional heating, but some influence on chemioselectivity has been observed. These effects derive from fast and mass heating of microwaves, and probably, especially under reflux, from different boiling rates and/or overheating. With heterogeneous mixtures non conventional effects probably derive from mass heating and selective overheating. This is illustrated with several reactions: Diels-Alder, naphthalene sulphonation, preparation of cyanuric acid, hydrolysis of nitriles, transposition reaction on solid support.

  6. Novel mixture model for the representation of potential energy surfaces

    Science.gov (United States)

    Pham, Tien Lam; Kino, Hiori; Terakura, Kiyoyuki; Miyake, Takashi; Dam, Hieu Chi

    2016-10-01

    We demonstrate that knowledge of chemical physics on a materials system can be automatically extracted from first-principles calculations using a data mining technique; this information can then be utilized to construct a simple empirical atomic potential model. By using unsupervised learning of the generative Gaussian mixture model, physically meaningful patterns of atomic local chemical environments can be detected automatically. Based on the obtained information regarding these atomic patterns, we propose a chemical-structure-dependent linear mixture model for estimating the atomic potential energy. Our experiments show that the proposed mixture model significantly improves the accuracy of the prediction of the potential energy surface for complex systems that possess a large diversity in their local structures.

  7. Modeling and interpreting biological effects of mixtures in the environment: introduction to the metal mixture modeling evaluation project.

    Science.gov (United States)

    Van Genderen, Eric; Adams, William; Dwyer, Robert; Garman, Emily; Gorsuch, Joseph

    2015-04-01

    The fate and biological effects of chemical mixtures in the environment are receiving increased attention from the scientific and regulatory communities. Understanding the behavior and toxicity of metal mixtures poses unique challenges for incorporating metal-specific concepts and approaches, such as bioavailability and metal speciation, in multiple-metal exposures. To avoid the use of oversimplified approaches to assess the toxicity of metal mixtures, a collaborative 2-yr research project and multistakeholder group workshop were conducted to examine and evaluate available higher-tiered chemical speciation-based metal mixtures modeling approaches. The Metal Mixture Modeling Evaluation project and workshop achieved 3 important objectives related to modeling and interpretation of biological effects of metal mixtures: 1) bioavailability models calibrated for single-metal exposures can be integrated to assess mixture scenarios; 2) the available modeling approaches perform consistently well for various metal combinations, organisms, and endpoints; and 3) several technical advancements have been identified that should be incorporated into speciation models and environmental risk assessments for metals.

  8. Partitioning regularity of non-ionic organic mixtures in organic phase/water system

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The partitioning regularity of nonionic organic mixtures in organic phase/water system is revealed. The equation for calculating the partition coefficients of mixtures (KMD), together with the determination model, is derived from the equilibrium partitioning models (EPMs). Based on these derived equations, the KMD values of 20 mixtures conraining halogenated benzenes are obtained. The results show that stronger hydrophobicity of an individual chemical in the mixture results in the stronger hydrophobicity of the mixture and the greater the proportion of this chemical, the stronger the hydrophobicity of the mixture will be. This partitioning regularity is helpful to the study of the toxicity for mixtures and the environmental behavior, such as transfer or accumuiation, for mixed organic pollutants.``

  9. Lunar Science Conference, 5th, Houston, Tex., March 18-22, 1974, Proceedings. Volume 1 - Mineralogy and petrology. Volume 2 Chemical and isotope analyses. Organic chemistry. Volume 3 - Physical properties

    Science.gov (United States)

    Gose, W. A.

    1974-01-01

    Numerous studies on the properties of the moon based on Apollo findings and samples are presented. Topics treated include ages of the lunar nearside light plains and maria, orange material in the Sulpicius Gallus formation at the southwestern edge of Mare Serenitatis, impact-induced fractionation in the lunar highlands, igneous rocks from Apollo 16 rake samples, experimental liquid line of descent and liquid immiscibility for basalt 70017, ion microprobe mass analysis of plagioclase from 'non-mare' lunar samples, grain size and the evolution of lunar soils, chemical composition of rocks and soils at Taurus-Littrow, the geochemical evolution of the moon, U-Th-Pb systematics of some Apollo 17 lunar samples and implications for a lunar basin excavation chronology, volatile-element systematics and green glass in Apollo 15 lunar soils, solar wind nitrogen and indigenous nitrogen in Apollo 17 lunar samples, lunar trapped xenon, solar flare and lunar surface process characterization at the Apollo 17 site, and the permanent and induced magnetic dipole moment of the moon. Individual items are announced in this issue.

  10. 2015 Brainhack Proceedings

    Directory of Open Access Journals (Sweden)

    R. Cameron Craddock

    2016-11-01

    Full Text Available Table of contents I1 Introduction to the 2015 Brainhack Proceedings R. Cameron Craddock, Pierre Bellec, Daniel S. Margules, B. Nolan Nichols, Jörg P. Pfannmöller A1 Distributed collaboration: the case for the enhancement of Brainspell’s interface AmanPreet Badhwar, David Kennedy, Jean-Baptiste Poline, Roberto Toro A2 Advancing open science through NiData Ben Cipollini, Ariel Rokem A3 Integrating the Brain Imaging Data Structure (BIDS standard into C-PAC Daniel Clark, Krzysztof J. Gorgolewski, R. Cameron Craddock A4 Optimized implementations of voxel-wise degree centrality and local functional connectivity density mapping in AFNI R. Cameron Craddock, Daniel J. Clark A5 LORIS: DICOM anonymizer Samir Das, Cécile Madjar, Ayan Sengupta, Zia Mohades A6 Automatic extraction of academic collaborations in neuroimaging Sebastien Dery A7 NiftyView: a zero-footprint web application for viewing DICOM and NIfTI files Weiran Deng A8 Human Connectome Project Minimal Preprocessing Pipelines to Nipype Eric Earl, Damion V. Demeter, Kate Mills, Glad Mihai, Luka Ruzic, Nick Ketz, Andrew Reineberg, Marianne C. Reddan, Anne-Lise Goddings, Javier Gonzalez-Castillo, Krzysztof J. Gorgolewski A9 Generating music with resting-state fMRI data Caroline Froehlich, Gil Dekel, Daniel S. Margulies, R. Cameron Craddock A10 Highly comparable time-series analysis in Nitime Ben D. Fulcher A11 Nipype interfaces in CBRAIN Tristan Glatard, Samir Das, Reza Adalat, Natacha Beck, Rémi Bernard, Najmeh Khalili-Mahani, Pierre Rioux, Marc-Étienne Rousseau, Alan C. Evans A12 DueCredit: automated collection of citations for software, methods, and data Yaroslav O. Halchenko, Matteo Visconti di Oleggio Castello A13 Open source low-cost device to register dog’s heart rate and tail movement Raúl Hernández-Pérez, Edgar A. Morales, Laura V. Cuaya A14 Calculating the Laterality Index Using FSL for Stroke Neuroimaging Data Kaori L. Ito, Sook-Lei Liew A15 Wrapping FreeSurfer 6 for use in

  11. Protein mixtures: interactions and gelation

    OpenAIRE

    Ersch, C.

    2015-01-01

    Gelation is a ubiquitous process in the preparation of foods. As most foods are multi constituent mixtures, understanding gelation in mixtures is an important goal in food science. Here we presented a systematic investigation on the influence of molecular interactions on the gelation in protein mixtures. Gelatin gels with added globular protein and globular protein gels with added gelatin were analyzed for their gel microstructure and rheological properties. Mixed gels with altered microstruc...

  12. Caracterização químico-nutricional de um isolado protéico de soro de leite, um hidrolisado de colágeno bovino e misturas dos dois produtos Chemical-nutritional characterization of a whey protein isolate, a bovine collagen hydrolysate and mixtures of the two products

    Directory of Open Access Journals (Sweden)

    Fabiane La Flor Ziegler

    2009-02-01

    Full Text Available OBJETIVO:Estudar química e nutricionalmente um isolado protéico de soro de leite bovino, um hidrolisado de colágeno bovino e misturas dos dois produtos visando elevado valor nutritivo e funcional. MÉTODOS: Realizaram-se análises da composição centesimal e do perfil de aminoácidos dos dois materiais protéicos, para cálculo da melhor adequação dos aminoácidos essenciais, com base no perfil recomendado pela Organização Mundial de Saúde. Os índices de valor nutritivo para o isolado de soro de leite, o hidrolisado de colágeno e as misturas foram determinados em ratos, a partir de ensaios de crescimento e de balanço de nitrogênio. Os resultados dos parâmetros nutricionais foram submetidos à análise de variância e ao teste de Tukey para a verificação de diferenças entre médias (pOBJECTIVE:The objective was the chemical and nutritional study of a bovine whey protein isolate, a bovine collagen hydrolysate and mixtures of the two products aiming at high nutritional and functional value. METHODS: Centesimal composition and amino acid analyses were performed on both proteinaceous materials for the calculation of an adequate amino acid profile based on the Food and Agriculture Organization/World Health Organization recommendation. The nutritive value indexes for the whey protein isolate, the collagen hydrolysate and mixtures of both proteins were determined in rats through growth assay and nitrogen balance. The experimental parameters from nutritional assays were submitted to analysis of variance and the Tukey test applied for differences among means (p<0.05. RESULTS: The whey protein isolate met all the requirements of the Food and Agriculture Organization/World Health Organization reference for essential amino acids while the collagen hydrolysate showed deficiency in all essential amino acids and complete absence of tryptophan. The casein showed higher efficiency than the whey isolate and mixtures of both proteins in promoting

  13. Advanced materials and technologies. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Lindroos, V.K.; Alander, T.K.R. [eds.] [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Physical Metallurgy and Materials Science

    1995-12-31

    The contents of the proceedings consist of three chapters, of which, the first discusses common megatrends, both nationally and globally, in different fields of materials technology. The second chapter is dealing with novel production and processing of base metals and, finally, the third chapter is related with current achievements and future goals of electronic, magnetic, optical and coating materials and their processing

  14. Proceedings of the technical program

    Energy Technology Data Exchange (ETDEWEB)

    1983-01-01

    Conference proceedings are presented under 13 section headings as follows: fluidization and fluid-particle technology; particle size enlargement; solids discharging from storage; safety aspects of solids processing; mixing and blending; pneumatic conveying - fundamentals and technology; particle mechanics; particle characterization; solids processing; bulk solids handling and storage. Relevant papers have been abstracted separately.

  15. 45 CFR 73b.4 - Proceedings.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Proceedings. 73b.4 Section 73b.4 Public Welfare... § 73b.4 Proceedings. (a) Upon a determination by the Assistant General Counsel, Business and... hearing and any related proceedings shall be a federal administrative law judge. He/she shall insure...

  16. 17 CFR 12.24 - Parallel proceedings.

    Science.gov (United States)

    2010-04-01

    ... 17 Commodity and Securities Exchanges 1 2010-04-01 2010-04-01 false Parallel proceedings. 12.24... REPARATIONS General Information and Preliminary Consideration of Pleadings § 12.24 Parallel proceedings. (a) Definition. For purposes of this section, a parallel proceeding shall include: (1) An arbitration...

  17. 39 CFR 3020.76 - Further proceedings.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Further proceedings. 3020.76 Section 3020.76... the Product Lists Described Within the Mail Classification Schedule § 3020.76 Further proceedings. If the Commission determines that further proceedings are appropriate, a conference shall be scheduled...

  18. 12 CFR 263.109 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 3 2010-01-01 2010-01-01 false Further proceedings. 263.109 Section 263.109... Further proceedings. (a) General rule. The determination of a recommended award shall be made by the... proceedings to amplify the record such as an informal conference, oral argument, additional...

  19. 43 CFR 1.6 - Disciplinary proceedings.

    Science.gov (United States)

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false Disciplinary proceedings. 1.6 Section 1.6 Public Lands: Interior Office of the Secretary of the Interior PRACTICES BEFORE THE DEPARTMENT OF THE INTERIOR § 1.6 Disciplinary proceedings. (a) Disciplinary proceedings may be instituted against anyone...

  20. 36 CFR 1150.82 - PER proceedings.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false PER proceedings. 1150.82... BOARD PRACTICE AND PROCEDURES FOR COMPLIANCE HEARINGS Hearing Procedures § 1150.82 PER proceedings. (a) In proceedings in which a citation, or part of one, seeking PER has been filed, the judge shall...

  1. 16 CFR 1.64 - Condemnation proceedings.

    Science.gov (United States)

    2010-01-01

    ... 16 Commercial Practices 1 2010-01-01 2010-01-01 false Condemnation proceedings. 1.64 Section 1.64 Commercial Practices FEDERAL TRADE COMMISSION ORGANIZATION, PROCEDURES AND RULES OF PRACTICE GENERAL PROCEDURES Injunctive and Condemnation Proceedings § 1.64 Condemnation proceedings. In those cases...

  2. 10 CFR 12.306 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Further proceedings. 12.306 Section 12.306 Energy NUCLEAR REGULATORY COMMISSION IMPLEMENTATION OF THE EQUAL ACCESS TO JUSTICE ACT IN AGENCY PROCEEDINGS Procedures for Considering Applications § 12.306 Further proceedings. (a) Ordinarily, the determination of an award will...

  3. 34 CFR 668.84 - Fine proceedings.

    Science.gov (United States)

    2010-07-01

    ... 34 Education 3 2010-07-01 2010-07-01 false Fine proceedings. 668.84 Section 668.84 Education... Proceedings § 668.84 Fine proceedings. (a) Scope and consequences. (1) The Secretary may impose a fine of up... any institution that contracts with the servicer. (2) If the Secretary begins a fine...

  4. 77 FR 13322 - Termination of Dormant Proceedings

    Science.gov (United States)

    2012-03-06

    ... COMMISSION Termination of Dormant Proceedings AGENCY: Federal Communications Commission. ACTION: Notice... comment on whether certain docketed Commission proceedings should be terminated as dormant. The Commission... Proceedings as Dormant, document DA 12-220, released on February 15, 2012 in CG Docket No. 12-39. The...

  5. 19 CFR 212.25 - Further proceedings.

    Science.gov (United States)

    2010-04-01

    ... 19 Customs Duties 3 2010-04-01 2010-04-01 false Further proceedings. 212.25 Section 212.25 Customs... proceedings. (a) Ordinarily, the determination of an award will be made on the basis of the written record... initiative, the presiding officer may in his or her discretion order further proceedings, such as an...

  6. 46 CFR 502.291 - Nonpublic proceedings.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 9 2010-10-01 2010-10-01 false Nonpublic proceedings. 502.291 Section 502.291 Shipping... Nonadjudicatory Investigations § 502.291 Nonpublic proceedings. Unless otherwise ordered by the Commission, all investigatory proceedings shall be nonpublic....

  7. 6 CFR 7.13 - Judicial proceedings.

    Science.gov (United States)

    2010-01-01

    ... 6 Domestic Security 1 2010-01-01 2010-01-01 false Judicial proceedings. 7.13 Section 7.13 Domestic... Administration § 7.13 Judicial proceedings. (a) Any DHS official or organization receiving an order or subpoena... proceeding in any manner, the DHS General Counsel attorney, in conjunction with the Department of...

  8. 12 CFR 747.613 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 6 2010-01-01 2010-01-01 false Further proceedings. 747.613 Section 747.613... Justice Act in NCUA Board Adjudications § 747.613 Further proceedings. (a) After the expiration of the... underlying proceeding. Ordinarily, the determination of an award will be made on the basis of the...

  9. 34 CFR 682.705 - Suspension proceedings.

    Science.gov (United States)

    2010-07-01

    ... 34 Education 3 2010-07-01 2010-07-01 false Suspension proceedings. 682.705 Section 682.705....705 Suspension proceedings. (a) Scope. (1) A suspension by the Secretary removes a lender's... limitation or a termination proceeding. (2) If the Secretary begins a limitation or a termination...

  10. 10 CFR 10.27 - Prehearing proceedings.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Prehearing proceedings. 10.27 Section 10.27 Energy NUCLEAR... NATIONAL SECURITY INFORMATION OR AN EMPLOYMENT CLEARANCE Procedures § 10.27 Prehearing proceedings. (a... hearing, or appears but is not prepared to proceed, the Hearing Examiner shall, unless good cause is...

  11. 29 CFR 16.304 - Further proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Further proceedings. 16.304 Section 16.304 Labor Office of... Further proceedings. (a) Ordinarily, the determination of an award will be made on the basis of the... initiative, the adjudicative officer may order further proceedings, such as an informal conference,...

  12. 34 CFR 101.121 - Posttermination proceedings.

    Science.gov (United States)

    2010-07-01

    ... 34 Education 1 2010-07-01 2010-07-01 false Posttermination proceedings. 101.121 Section 101.121... EDUCATION PRACTICE AND PROCEDURE FOR HEARINGS UNDER PART 100 OF THIS TITLE Posttermination Proceedings § 101.121 Posttermination proceedings. (a) An applicant or recipient adversely affected by the...

  13. 10 CFR 1023.325 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Further proceedings. 1023.325 Section 1023.325 Energy... Access to Justice Act Procedures for Considering Applications § 1023.325 Further proceedings. (a... administrative judge may order further proceedings, such as an informal conference, oral argument,...

  14. 76 FR 35892 - Termination of Dormant Proceedings

    Science.gov (United States)

    2011-06-20

    ... Dormant Proceedings AGENCY: Federal Communications Commission. ACTION: Notice. SUMMARY: In this document... certain docketed Commission proceedings should be terminated as dormant. The Commission's procedural and... Proceedings as Dormant, document DA 11-992, released on June 3, 2011 in CG Docket No. 11-99. The full text...

  15. 17 CFR 12.22 - Default proceedings.

    Science.gov (United States)

    2010-04-01

    ... 17 Commodity and Securities Exchanges 1 2010-04-01 2010-04-01 false Default proceedings. 12.22... REPARATIONS General Information and Preliminary Consideration of Pleadings § 12.22 Default proceedings. (a) Institution of a default proceeding. Failure timely to respond to a complaint or a counterclaim, as...

  16. 27 CFR 71.107 - Application proceedings.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 2 2010-04-01 2010-04-01 false Application proceedings..., DEPARTMENT OF THE TREASURY (CONTINUED) PROCEDURES AND PRACTICES RULES OF PRACTICE IN PERMIT PROCEEDINGS Decisions Action by the Appropriate Ttb Officer § 71.107 Application proceedings. If, upon receipt of...

  17. 24 CFR 3800.40 - Investigational proceedings.

    Science.gov (United States)

    2010-04-01

    ... 24 Housing and Urban Development 5 2010-04-01 2010-04-01 false Investigational proceedings. 3800... proceedings. (a) For the purpose of hearing the testimony of witnesses and receiving documents and other data... investigational proceeding. (b) The Secretary, or the Secretary's designee, (“presiding official”) shall...

  18. 14 CFR 14.26 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Further proceedings. 14.26 Section 14.26... proceedings. (a) Ordinarily the determination of an award will be made on the basis of the written record... adjudicative officer assigned to the matter may order further proceedings, such as an informal conference,...

  19. 10 CFR 590.316 - Shortened proceedings.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Shortened proceedings. 590.316 Section 590.316 Energy... WITH RESPECT TO THE IMPORT AND EXPORT OF NATURAL GAS Procedures § 590.316 Shortened proceedings. In any proceeding where, in response to a notice of application or notice of procedures, if applicable, no...

  20. 29 CFR 102.152 - Further proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 2 2010-07-01 2010-07-01 false Further proceedings. 102.152 Section 102.152 Labor... and Other Expenses § 102.152 Further proceedings. (a) Ordinarily the determination of an award will be... proceedings, including an informal conference, oral argument, additional written submissions or an...

  1. 10 CFR 1021.214 - Adjudicatory proceedings.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Adjudicatory proceedings. 1021.214 Section 1021.214 Energy... Decisionmaking § 1021.214 Adjudicatory proceedings. (a) This section applies to DOE proposed actions that involve DOE adjudicatory proceedings, excluding judicial or administrative civil or criminal...

  2. 17 CFR 148.26 - Further proceedings.

    Science.gov (United States)

    2010-04-01

    ... 17 Commodity and Securities Exchanges 1 2010-04-01 2010-04-01 false Further proceedings. 148.26... THE EQUAL ACCESS TO JUSTICE ACT IN COVERED ADJUDICATORY PROCEEDINGS BEFORE THE COMMISSION Procedures for Considering Applications § 148.26 Further proceedings. (a) Ordinarily, the determination of...

  3. 5 CFR 2423.42 - Backpay proceedings.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Backpay proceedings. 2423.42 Section 2423... OF THE FEDERAL LABOR RELATIONS AUTHORITY UNFAIR LABOR PRACTICE PROCEEDINGS Post-Transmission and Exceptions to Authority Procedures § 2423.42 Backpay proceedings. After the entry of an Authority...

  4. 22 CFR 1423.2 - Informal proceedings.

    Science.gov (United States)

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Informal proceedings. 1423.2 Section 1423.2 Foreign Relations FOREIGN SERVICE LABOR RELATIONS BOARD; FEDERAL LABOR RELATIONS AUTHORITY; GENERAL... PRACTICE PROCEEDINGS § 1423.2 Informal proceedings. (a) The purposes and policies of the Foreign...

  5. 34 CFR 21.44 - Further proceedings.

    Science.gov (United States)

    2010-07-01

    ... 34 Education 1 2010-07-01 2010-07-01 false Further proceedings. 21.44 Section 21.44 Education... Considering Applications? § 21.44 Further proceedings. (a) The adjudicative officer shall make the... further proceedings on his or her own initiative or at the request of the applicant or the...

  6. 14 CFR 13.115 - Public proceedings.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Public proceedings. 13.115 Section 13.115 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION PROCEDURAL RULES....115 Public proceedings. (a) All investigative proceedings and depositions shall be public unless...

  7. 49 CFR 826.36 - Further proceedings.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 7 2010-10-01 2010-10-01 false Further proceedings. 826.36 Section 826.36....36 Further proceedings. (a) Ordinarily the determination of an award will be made on the basis of the... initiative, the administrative law judge assigned to the matter may order further proceedings, such as...

  8. 47 CFR 1.1526 - Further proceedings.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false Further proceedings. 1.1526 Section 1.1526... Access to Justice Act (EAJA) in Agency Proceedings Procedures for Considering Applications § 1.1526 Further proceedings. (a) Ordinarily, the determination of an award will be made on the basis of...

  9. 75 FR 13429 - Unfair Labor Practice Proceedings

    Science.gov (United States)

    2010-03-22

    ... Unfair Labor Practice Proceedings AGENCY: Office of the General Counsel, Federal Labor Relations...) revises portions of its regulations regarding unfair labor practice (ULP) proceedings. The purpose of the... analyses of the revisions to Part 2423--Unfair Labor Practice Proceedings are as follows: Part...

  10. 16 CFR 5.52 - Nonpublic proceedings.

    Science.gov (United States)

    2010-01-01

    ... 16 Commercial Practices 1 2010-01-01 2010-01-01 false Nonpublic proceedings. 5.52 Section 5.52... CONDUCT Disciplinary Actions Concerning Postemployment Conflict of Interest § 5.52 Nonpublic proceedings. Any investigation or proceedings held under this part shall be nonpublic unless the...

  11. 31 CFR 341.7 - Judicial proceedings.

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Judicial proceedings. 341.7 Section... BONDS § 341.7 Judicial proceedings. No judicial determinations will be recognized which would give... against a registered owner will be recognized when established by valid judicial proceedings, but in...

  12. 28 CFR 17.17 - Judicial proceedings.

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Judicial proceedings. 17.17 Section 17.17... CLASSIFIED INFORMATION Administration § 17.17 Judicial proceedings. (a)(1) Any Department official or... proceeding in any manner, the assigned Department attorney shall take all steps necessary to ensure...

  13. 29 CFR 5.12 - Debarment proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Debarment proceedings. 5.12 Section 5.12 Labor Office of the... Procedures § 5.12 Debarment proceedings. (a)(1) Whenever any contractor or subcontractor is found by the...). Such proceedings shall be conducted in accordance with the procedures set forth at 29 CFR part 6....

  14. 29 CFR 7.14 - Oral proceedings.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Oral proceedings. 7.14 Section 7.14 Labor Office of the... ASSISTED CONSTRUCTION CONTRACTS Some General Procedural Matters § 7.14 Oral proceedings. (a) With respect to any proceeding before it, the Board may upon its own initiative or upon request of any...

  15. 39 CFR 960.18 - Further proceedings.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Further proceedings. 960.18 Section 960.18 Postal... JUSTICE ACT IN POSTAL SERVICE PROCEEDINGS Procedures for Considering Applications § 960.18 Further proceedings. (a) Ordinarily, the determination of an award will be made on the basis of the written...

  16. 45 CFR 13.25 - Further proceedings.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Further proceedings. 13.25 Section 13.25 Public... TO JUSTICE ACT IN AGENCY PROCEEDINGS Procedures for Considering Applications § 13.25 Further proceedings. (a) Ordinarily, a decision on an application will be made on the basis of the hearing record...

  17. 12 CFR 625.25 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 6 2010-01-01 2010-01-01 false Further proceedings. 625.25 Section 625.25... proceedings. (a) The determination of an award shall be made on the basis of the written record unless the presiding officer finds that further proceedings are necessary for full and fair resolution of the...

  18. 27 CFR 71.70 - Application proceedings.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 2 2010-04-01 2010-04-01 false Application proceedings..., DEPARTMENT OF THE TREASURY (CONTINUED) PROCEDURES AND PRACTICES RULES OF PRACTICE IN PERMIT PROCEEDINGS Hearing Procedure Waiver of Hearing § 71.70 Application proceedings. At any time prior to final...

  19. 5 CFR 2610.307 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Further proceedings. 2610.307 Section... proceedings. (a) Ordinarily, the determination of an award will be made on the basis of the written record... adjudicative officer may order further proceedings, such as an informal conference, oral argument,...

  20. 31 CFR 346.7 - Judicial proceedings.

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Judicial proceedings. 346.7 Section... RETIREMENT BONDS § 346.7 Judicial proceedings. No judicial determination will be recognized which would give... claim against a registered owner will be recognized when established by valid judicial proceedings,...

  1. Shock tube study of the fuel structure effects on the chemical kinetic mechanisms responsible for soot formation, part 2

    Science.gov (United States)

    Frenklach, M.; Clary, D. W.; Ramachandra, M. K.

    1985-01-01

    Soot formation in oxidation of allene, 1,3-butadiene, vinylacetylene and chlorobenzene and in pyrolysis of ethylene, vinylacetylene, 1-butene, chlorobenzene, acetylen-hydrogen, benzene-acetylene, benzene-butadiene and chlorobenzene-acetylene argon-diluted mixtures was studied behind reflected shock waves. The results are rationalized within the framework of the conceptual models. It is shown that vinylacetylene is much less sooty than allene, which indicates that conjugation by itself is not a sufficient factor for determining the sooting tendency of a molecule. Structural reactivity in the context of the chemical kinetics is the dominant factor in soot formation. Detailed chemical kinetic modeling of soot formation in pyrolysis of acetylene is reported. The main mass growth was found to proceed through a single dominant route composed of conventional radical reactions. The practically irreversible formation reactions of the fused polycyclic aromatics and the overshoot by hydrogen atom over its equilibrium concentration are the g-driving kinetic forces for soot formation.

  2. 16 CFR 3.2 - Nature of adjudicative proceedings.

    Science.gov (United States)

    2010-01-01

    ... 16 Commercial Practices 1 2010-01-01 2010-01-01 false Nature of adjudicative proceedings. 3.2... RULES OF PRACTICE FOR ADJUDICATIVE PROCEEDINGS Scope of Rules; Nature of Adjudicative Proceedings § 3.2 Nature of adjudicative proceedings. Adjudicative proceedings are those formal proceedings conducted...

  3. 41 CFR 105-68.965 - Legal proceedings.

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false Legal proceedings. 105... proceedings. Legal proceedings means any criminal proceeding or any civil judicial proceeding, including a proceeding under the Program Fraud Civil Remedies Act (31 U.S.C. 3801-3812), to which the Federal...

  4. Spectrometric mixture analysis: An unexpected wrinkle

    Indian Academy of Sciences (India)

    Robert De Levie

    2009-09-01

    The spectrometric analysis of a mixture of two chemically and spectroscopically similar compounds is illustrated for the simultaneous spectrometric determination of caffeine and theobromine, the primary stimulants in coffee and tea, based on their ultraviolet absorbances. Their analysis indicates that such measurements may need an unexpectedly high precision to yield accurate answers, because of an artifact of inverse cancellation, in which a small noise or drift signal is misinterpreted in terms of a concentration difference. The computed sum of the concentrations is not affected.

  5. Fundamental combustion characteristics of lean hydrogen mixtures; Suiso kihaku kongoki no kisoteki nensho tokusei

    Energy Technology Data Exchange (ETDEWEB)

    Barat, D.; Kido, H.; Nakahara, M.; Hashimoto, J. [Kyushu University, Fukuoka (Japan)

    1997-10-01

    One of the excellent combustion characteristics of hydrogen-air mixture is that its emission is free of CO2, but the problem of NOx remains, mainly caused by the high combustion temperature. Using leaner mixture and carrying out EGR are supposed to be effective methods to reduce NOx. In this study, to examine the effectiveness of the two methods, fundamental combustion characteristics of nitrogen added lean hydrogen mixtures were investigated by chemical equilibrium calculations and measurements of turbulent combustion characteristics. It is suggested that nitrogen added mixtures can achieve lower NOx combustion than lean mixtures, taking the combustion efficiency into consideration. 7 refs., 7 figs., 1 tab.

  6. Evaporating Drops of Alkane Mixtures

    CERN Document Server

    Gu'ena, G; Poulard, C; Cazabat, Anne-Marie; Gu\\'{e}na, Geoffroy; Poulard, Christophe

    2005-01-01

    Alkane mixtures are model systems where the influence of surface tension gradients during the spreading and the evaporation of wetting drops can be easily studied. The surface tension gradients are mainly induced by concentration gradients, mass diffusion being a stabilising process. Depending on the relative concentration of the mixture, a rich pattern of behaviours is obtained.

  7. Thermophysical Properties of Hydrocarbon Mixtures

    Science.gov (United States)

    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.

  8. Evaporating Drops of Alkane Mixtures

    OpenAIRE

    Guéna, Geoffroy; Poulard, Christophe; Cazabat, Anne-Marie

    2005-01-01

    22 pages 9 figures; Alkane mixtures are model systems where the influence of surface tension gradients during the spreading and the evaporation of wetting drops can be easily studied. The surface tension gradients are mainly induced by concentration gradients, mass diffusion being a stabilising process. Depending on the relative concentration of the mixture, a rich pattern of behaviours is obtained.

  9. Protein mixtures: interactions and gelation

    NARCIS (Netherlands)

    Ersch, C.

    2015-01-01

    Gelation is a ubiquitous process in the preparation of foods. As most foods are multi constituent mixtures, understanding gelation in mixtures is an important goal in food science. Here we presented a systematic investigation on the influence of molecular interactions on the gelation in protein mixt

  10. Easy and flexible mixture distributions

    DEFF Research Database (Denmark)

    Fosgerau, Mogens; Mabit, Stefan L.

    2013-01-01

    We propose a method to generate flexible mixture distributions that are useful for estimating models such as the mixed logit model using simulation. The method is easy to implement, yet it can approximate essentially any mixture distribution. We test it with good results in a simulation study...

  11. EDCs Mixtures: A Stealthy Hazard for Human Health?

    Directory of Open Access Journals (Sweden)

    Edna Ribeiro

    2017-02-01

    Full Text Available Endocrine disrupting chemicals (EDCs are exogenous chemicals that may occur naturally (e.g., phytoestrogens, while others are industrial substances and plasticizers commonly utilized worldwide to which human exposure, particularly at low-doses, is omnipresent, persistent and occurs in complex mixtures. EDCs can interfere with/or mimic estrogenic hormones and, consequently, can simultaneously trigger diverse signaling pathways which result in diverse and divergent biological responses. Additionally, EDCs can also bioaccumulate in lipid compartments of the organism forming a mixed “body burden” of contaminants. Although the independent action of chemicals has been considered the main principle in EDCs mixture toxicity, recent studies have demonstrated that numerous effects cannot be predicted when analyzing single compounds independently. Co-exposure to these agents, particularly in critical windows of exposure, may induce hazardous health effects potentially associated with a complex “body burden” of different origins. Here, we performed an exhaustive review of the available literature regarding EDCs mixtures exposure, toxicity mechanisms and effects, particularly at the most vulnerable human life stages. Although the assessment of potential risks to human health due to exposure to EDCs mixtures is a major topic for consumer safety, information regarding effective mixtures effects is still scarce.

  12. Statistical mechanical theory of fluid mixtures

    Science.gov (United States)

    Zhao, Yueqiang; Wu, Zhengming; Liu, Weiwei

    2014-01-01

    A general statistical mechanical theory of fluid mixtures (liquid mixtures and gas mixtures) is developed based on the statistical mechanical expression of chemical potential of components in the grand canonical ensemble, which gives some new relationships between thermodynamic quantities (equilibrium ratio Ki, separation factor α and activity coefficient γi) and ensemble average potential energy u for one molecule. The statistical mechanical expressions of separation factor α and activity coefficient γi derived in this work make the fluid phase equilibrium calculations can be performed by molecular simulation simply and efficiently, or by the statistical thermodynamic approach (based on the saturated-vapor pressure of pure substance) that does not need microscopic intermolecular pair potential functions. The physical meaning of activity coefficient γi in the liquid phase is discussed in detail from a viewpoint of molecular thermodynamics. The calculated Vapor-Liquid Equilibrium (VLE) properties of argon-methane, methanol-water and n-hexane-benzene systems by this model fit well with experimental data in references, which indicates that this model is accurate and reliable in the prediction of VLE properties for small, large and strongly associating molecules; furthermore the statistical mechanical expressions of separation factor α and activity coefficient γi have good compatibility with classical thermodynamic equations and quantum mechanical COSMO-SAC approach.

  13. Determinação das composições físico-químicas de cachaças do sul de minas gerais e de suas misturas Determination of the physical-chemical composition of homemade cachaças produced in the South of Minas Gerais and their mixtures

    Directory of Open Access Journals (Sweden)

    Fernando José Vilela

    2007-08-01

    Full Text Available Este trabalho teve por objetivo a determinação da composição físico-química de cachaças artesanais produzidas no sul do Estado de Minas Gerais e suas misturas. Foram analisados os teores de etanol, acidez volátil, aldeídos, cobre, ésteres, álcoois superiores totais e metanol, além dos álcoois propanol-1, isobutanol e 3-metil-butanol-1. Os resultados apresentam o perfil peculiar desta bebida, que apresentou teores satisfatórios de álcoois superiores, ésteres e aldeídos. O teor de cobre apresenta-se como preocupante já que algumas amostras excederam o limite de 5 mg.L-1. A produção de misturas foi estudada e esta apresenta-se como uma alternativa viável ao produtor e cooperativas.The present study sought the physical-chemical composition of homemade cachaças produced in the south of the state Minas Gerais and of mixtures of the same cachaça samples. The ethanol, aldehyde, copper, higher alcohol, volatile acid and methanol concentrations were determined, in addition to the individual propanol, 2-methyl-1-propanol and 3-methyl-1-butanol concentrations. The results demonstrated the characteristic profile of this beverage, which presented satisfactory concentrations of higher alcohols, esters, and aldehydes. The copper concentrations of some samples exceeded the limit of 5 mg. L-1. The mixtures produced from some of the cachaça samples presented a viable alternative for the producers and cooperatives because the concentrations of the components were more adequate for exportation.

  14. CHEMICAL COMPOUNDS FOR METAL SHAPING

    Science.gov (United States)

    ALLOYS, *CHEMICAL MILLING, *METALS, *REFRACTORY MATERIALS, AIRCRAFT, ALUMINUM ALLOYS, CARBOXYMETHYLCELLULOSE , CHEMICALS, CHROMIUM ALLOYS, GELS, HEAT...RESISTANT ALLOYS, MATERIALS, MOLYBDENUM ALLOYS, NICKEL ALLOYS, NIOBIUM, POROUS MATERIALS, PROCESSING, PRODUCTION , SOLIDS, SOLUTIONS(MIXTURES), STAINLESS STEEL, STEEL, STRUCTURES, TANTALUM, TITANIUM ALLOYS, VANADIUM ALLOYS.

  15. 2014 German refrigeration and air conditioning meeting. Proceedings; Deutsche Kaelte- und Klimatagung 2014. Tagungsbericht

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2014-07-01

    The proceedings of the 2014 German refrigeration and air conditioning meeting contain contributions on the following topics: cryotechnology, fundamentals and materials for the refrigeration and heat pump technology, devices and components for the refrigeration and heat pump technology, applications of refrigeration technologies, air conditioning technology and heat pump applications, cryotechnology in biology and medicine, heat transfer and ventilation, guidelines and legal topics, refrigerant fluid - oil mixtures, control and surveillance, simulation and control, ambient air.

  16. World Bioenergy 2012. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-11-01

    -stock use. Sustainability and economy are critical factors for market development, but also the adaptability to the current transport systems. The biofuels need efficient vehicles and motors, to be competitive with current transport solutions. How will the transport sector evolve within the coming years? E) World biorefinery 2012: Biorefineries with co-production of liquid, gaseous and solid biofuels with power, heat and chemicals for efficient and optimal use of biomass is the way forward. But strategies, business models, and technological choices are numerous - torrefaction, pyrolysis, enzymatic evolution, thermal gasification, biogas, syngas production, etc. All major biobased industries are today considering biorefinery concepts. The sessions aim to showcase the current state-of-the-art: the projects, and the technological developments. F) Sustainable bioenergy day: Can we achieve a sustainable market growth for modern bioenergy? This is a common theme for all actors in the bioenergy business sector. The last day of World Bioenergy is dedicated to sustainability. It includes the first ever public dialog forum regarding the coming ISO 13065 standard - Sustainability criteria for bioenergy. Asking all bioenergy stakeholders - how can we guarantee sustainable bioenergy and what could the role of a standard be? Sustainability Bioenergy day is arranged by the Swedish Energy Agency with the support of ISO, SIS and Svebio.

  17. National Hydrogen Roadmap Workshop Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-04-01

    This document summarizes the presentations and suggestions put forth by officials, industry experts and policymakers in their efforts to come together to develop a roadmap for America''s clean energy future and outline the key barriers and needs to achieve the hydrogen vision. The National Hydrogen Roadmap Workshop was held April 2-3, 2002. These proceedings were compiled into a formal report, The National Hydrogen Energy Roadmap, which is also available online.

  18. Sensitivity of Some Explosive/Brine Mixtures

    Science.gov (United States)

    1980-08-01

    concentration in brine mixtures. 3 Friction test results of brine mixtures. 10 4 Thermal test results of brine mixtures. 11 Li 71 - INTRODUCTION A...also carried out on these impact insensitive mixtures. Of the seven mixtures only the 15% M28-Comp. B sample passed the thermal test , since smoking

  19. Applying Upwind Godunov Methods to Calculate Two—Phase Mixture Conservation Laws

    Science.gov (United States)

    Zeidan, D.

    2010-09-01

    This paper continues a previous work (ICNAAM 2009; AIP Conference Proceedings, 1168, 601-604) on solving a hyperbolic conservative model for compressible gas—solid mixture flow using upwind Godunov methods. The numerical resolution of the model from Godunov first—order upwind and MUSCL—Hancock methods are reported. Both methods are based on the HLL Riemann solver in the framework of finite volume techniques. Calculation results are presented for a series of one—dimensional test problems. The results show that upwind Godunov methods are accurate and robust enough for two—phase mixture conservation laws.

  20. Estabilização química do subleito de estradas: influência do tempo decorrido entre a mistura e a compactação na resistência mecânica de misturas solo-RBI Grade 81 Chemical stabilization of road subgrade: influence of elapsed time between mixture and compaction on mechanical strength of soil-RBI Grade 81 mixtures

    Directory of Open Access Journals (Sweden)

    Tiago Pinto da Trindade

    2005-06-01

    Full Text Available Este artigo aborda o estudo da influência do tempo decorrido entre mistura e compactação na resistência mecânica de três solos da Zona da Mata Norte de Minas Gerais, Brasil, quando estabilizados com 4% de RBI Grade 81, em relação ao peso de solo seco. Um solo residual maduro (solo 1 e dois solos residuais jovens (solos 2 e 3 de gnáisse foram utilizados no presente estudo. O programa de ensaios de laboratório englobou: (i tempos decorridos entre mistura e compactação: 0, 4, 8 e 24 horas; (ii energia de compactação: Proctor Modificado; (iii período de cura das misturas: 7 dias; e (iv determinação da resistência mecânica: média de três determinações da resistência à compressão não-confinada. Os resultados desta pesquisa indicam que: (i o tempo decorrido entre mistura e compactação dos corpos-de-prova influenciou significativamente o parâmetro resistência à compressão não confinada das misturas; (ii 4 horas foi o tempo ótimo entre mistura e compactação para as misturas dos solos 1 e 2 com RBI Grade 81; e (iii no solo 3, foi observado um melhor resultado para a compactação imediatamente após a mistura.This paper describes the study of the influence of time between mixture and compaction in the mechanical strength of three soils from ";Zona da Mata Norte";, Minas Gerais, Brazil, stabilized with 4% of RBI Grade 81. One mature (soil 1 and two young (soils 2 and 3 gneiss residual soils were used throughout the study. The laboratory testing program consisted of the following steps: (i elapsed times between mixture and compaction: 0, 4, 8 and 24 hours; (ii mixture specimen compaction effort: Modified Proctor; (iii mixture specimen curing time: 7 days in acclimatized room; (iv determination of mechanical strength: average of three determinations of unconfined compression strength. The testing data supported that: (i the elapsed time between mixture and specimen compaction affected significantly the mixture mechanical

  1. On the use of mixture toxicity assessment in REACH and the water framework directive

    DEFF Research Database (Denmark)

    Syberg, Kristian; Jensen, T.S.; Cedergreen, Nina;

    2009-01-01

      This review seeks to connect the scientific theory of mixture toxicity to its implementation within different regulatory frameworks. The aim is to demonstrate how mixture toxicity assessment can be more thoroughly integrated into the European chemical regulations, REACH and the Water Framework ...

  2. Analysis of asphalt mixtures on town roads

    OpenAIRE

    Glavica, Primož

    2006-01-01

    Asphalt mixtures are most commonly used composite for construction of top layers of different drive ways. By definition asphalt mixtures are composed of crushed rock, fill, bitumen and additives. Percentage of individual components wary according to the purpose asphalt mixture is to be used for. Asphalt mixtures must be capable of enduring different types of load. According to the type of load asphalt mixtures are divided into asphalt mixtures used for supporting layers and asp...

  3. Separation of gas mixtures by supported complexes

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, D.A.; Lilga, M.A.; Hallen, R.T.; Lyke, S.E.

    1986-08-01

    The goal of this program is to determine the feasibility of solvent-dissolved coordination complexes for the separation of gas mixtures under bench-scale conditions. In particular, mixtures such as low-Btu gas are examined for CO and H/sub 2/ separation. Two complexes, Pd/sub 2/(dpm)/sub 2/Br/sub 2/ and Ru(CO)/sub 2/(PPh/sub 3/)/sub 3/, were examined in a bench-scale apparatus for the separation of binary (CO-N/sub 2/ or H/sub 2/-N/sub 2/) and quinary (H/sub 2/, CO, CO/sub 2/, CH/sub 4/, and N/sub 2/) mixtures. The separation of CO-N/sub 2/ was enhanced by the presence of the palladium complex in the 1,1,2-trichloroethane (TCE) solvent, especially at high gas and low liquid rates. The five-component gas mixture separation with the palladium complex in TCE provided quite unexpected results based on physical solubility and chemical coordination. The complex retained CO, while the solvent retained CO/sub 2/, CH/sub 4/, and N/sub 2/ to varying degrees. This allowed the hydrogen content to be enhanced due to its low solubility in TCE and inertness to the complex. Thus, a one-step, hydrogen separation can be achieved from gas mixtures with compositions similar to that of oxygen-blown coal gas. A preliminary economic evaluation of hydrogen separation was made for a system based on the palladium complex. The palladium system has a separation cost of 50 to 60 cents/MSCF with an assumed capital investment of $1.60/MSCF of annual capacity charged at 30% per year. This assumes a 3 to 4 year life for the complex. Starting with a 90% hydrogen feed, PSA separation costs are in the range of 30 to 50 cents/MSCF. The ruthenium complex was not as successful for hydrogen or carbon monoxide separation due to unfavorable kinetics. The palladium complex was found to strip hydrogen gas from H/sub 2/S. The complex could be regenerated with mild oxidants which removed the sulfur as SO/sub 2/. 24 refs., 26 figs., 10 tabs.

  4. 77 FR 7028 - Changes To Implement Derivation Proceedings

    Science.gov (United States)

    2012-02-10

    ... Patent and Trademark Office 37 CFR Part 42 RIN 0651-AC74 Changes To Implement Derivation Proceedings... the provisions of the Leahy- Smith America Invents Act that create a new derivation proceeding to be... administrative proceeding called a derivation proceeding. Derivation proceedings were created to ensure that...

  5. Proceedings of NHA Annual Conferences

    Energy Technology Data Exchange (ETDEWEB)

    Debbi L. Smith

    2004-06-30

    The Proceedings of "Hydrogen: A Clean Energy Choice" and the 16th Annual U.S. Hydrogen Conference, "Partnering for the Global Hydrogen Future" include the presentations of high-level keynote speakers from the U.S. Department of Energy, the state government of California, Ambassadors and Executives of large corporations and emerging companies all presenting their vision on a future fueled by hydrogen. Parallel technical sessions informed attendees of developments in hydrogen technology R&D, commercial product development and market readiness. Persentations of the Student Design Competition Finalists are also included.

  6. National Hydrogen Vision Meeting Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    None

    2001-11-01

    This document provides presentations and summaries of the notes from the National Hydrogen Vision Meeting''s facilitated breakout sessions. The Vision Meeting, which took place November 15-16, 2001, kicked off the public-private partnership that will pave the way to a more secure and cleaner energy future for America. These proceedings were compiled into a formal report, A National Vision of America''s Transition to a Hydrogen Economy - To 2030 and Beyond, which is also available online.

  7. Characteristics of The Fillers Used for Realizing the Asphalt Mixtures in Romania

    Directory of Open Access Journals (Sweden)

    Irina-Mihaela Dămiean

    2005-01-01

    Full Text Available This paper presents the lab results for four types of filler used in producing the asphalt mixture in Romania, as well as other physical-chemical characteristics of a new type of filler, derivate of the grinding of the bituminous shists through a ball mill/crusher. Knowing these physical-chemical characteristics is crucial for asphalt mixtures due to the complex purpose of the filler.

  8. Analysis of functional effects of a mixture of five pesticides using a ray design.

    Science.gov (United States)

    Gennings, Chris; Carter, W Hans; Casey, Michelle; Moser, Virginia; Carchman, Richard; Simmons, Jane Ellen

    2004-11-01

    The protection of human health from the adverse effects of cumulative environmental exposure to chemical mixtures is an important issue. Of particular interest is the detection and characterization of interaction among chemicals in complex mixtures. Response surface methodology, often supported by factorial designs, is the classical statistical experimental approach. Fixed-ratio ray designs, which may include the use of single chemical data in addition to data along mixture ray(s), have been proposed as an alternative approach. Such designs permit a reduction in the amount of experimental effort when the region of interest can be restricted to exposure-relevant mixing ratios. A 'single chemicals required' (SCR) approach and a 'single chemicals not required' (SCNR) approach are both described. The methods are illustrated with a five-chemical mixture of organophosphorus pesticides-acephate (ACE), diazinon (DIA), chlorpyrifos (CPF), malathion (MAL) and dimethoate (DIM). Their relative proportions in the mixture were based on the relative dietary human exposure estimates of each chemical as projected by the U.S. EPA Dietary Exposure Evaluation Model (DEEM). Use of the SCR and SCNR methods for binary endpoints are demonstrated using a dichotomized gait score as an indication of toxicity. For both methods, the overall hypothesis of additivity was rejected, indicating significant departure from additivity when the five pesticides were combined at the specified mixing ratio. By comparison of the predicted response under additivity to the modeled response of the experimental mixture data this departure from additivity was characterized as synergy (greater than additive toxicity). To examine the influence of malathion in the mixture, it was removed from the five-pesticide mixture (full ray) and the remaining four chemicals (reduced ray) were combined at the same relative proportions used in the full fixed-ratio ray There was not a significant departure from additivity along

  9. Inorganic salt mixtures as electrolyte media in fuel cells

    Science.gov (United States)

    Angell, Charles Austen (Inventor); Belieres, Jean-Philippe (Inventor); Francis-Gervasio, Dominic (Inventor)

    2012-01-01

    Fuel cell designs and techniques for converting chemical energy into electrical energy uses a fuel cell are disclosed. The designs and techniques include an anode to receive fuel, a cathode to receive oxygen, and an electrolyte chamber in the fuel cell, including an electrolyte medium, where the electrolyte medium includes an inorganic salt mixture in the fuel cell. The salt mixture includes pre-determined quantities of at least two salts chosen from a group consisting of ammonium trifluoromethanesulfonate, ammonium trifluoroacetate, and ammonium nitrate, to conduct charge from the anode to the cathode. The fuel cell includes an electrical circuit operatively coupled to the fuel cell to transport electrons from the cathode.

  10. 75 FR 53867 - Additions to Listing of Exempt Chemical Mixtures

    Science.gov (United States)

    2010-09-02

    ...% acetonitrile), dimethylformamide, ethylene glycol, isopropanol, methanol, methanol/water (50:50), methanol..., acetonitrile, acetonitrile: water (>= 50% acetonitrile), dimethylformamide, ethylene glycol, isopropanol...), dimethylformamide, ethylene glycol, isopropanol, methanol, methanol/water (50:50), methanol/dimethyl sulfoxide...

  11. 75 FR 37301 - Exempt Chemical Mixtures Containing Gamma-Butyrolactone

    Science.gov (United States)

    2010-06-29

    ...-Rape Drug Prohibition Act of 2000, on February 18, 2000. GBL and GHB induce a sense of euphoria and... GHB. For this reason, abusers or predators seeking to use GBL on their victims routinely substitute... recovered. After examination of the comments on the ANPRM and after weighing the risk of diversion,...

  12. Percutaneous Absorption of Chemical Mixtures Relevant to the Gulf War

    Science.gov (United States)

    2000-02-01

    Millennium version 32 software. A Waters SymmetryShield RP18 (3.5-micron, 4.6x150mm) column was used for the separations. The mobile phase consisted...Millennium version 32 software. A Waters SymmetryShield RP18 (3.5-micron, 4.6x15Omm) column was used for the separations. The mobile phase consisted

  13. Chemical Characterization and Toxicologic Evaluation of Airborne Mixtures

    Science.gov (United States)

    1981-04-01

    that had healed smoothly. One rat’s epiglottis was essen- tially absent, with only a small, smooth, raised ridge in its place. Two rats had small...all had laryn- geal edema. In two if these, the epiglottis was so severely eroded as to be hi almost absent. Three rats that survived for 14 days and...were killed had slight to moderate erosive lesions of the epiglottis . At the highest dose (8.46 mg/2 for 1 hour), six rats died by the end of exposure

  14. Uranium hexafluoride: Safe handling, processing, and transporting: Conference proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Strunk, W.D.; Thornton, S.G. (eds.)

    1988-01-01

    This conference seeks to provide a forum for the exchange of information and ideas of the safety aspects and technical issue related to the handling of uranium hexafluoride. By allowing operators, engineers, scientists, managers, educators, and others to meet and share experiences of mutual concern, the conference is also intended to provide the participants with a more complete knowledge of technical and operational issues. The topics for the papers in the proceedings are widely varied and include the results of chemical, metallurgical, mechanical, thermal, and analytical investigations, as well as the developed philosophies of operational, managerial, and regulatory guidelines. Papers have been entered individually into EDB and ERA. (LTN)

  15. Marangoni Convection in Binary Mixtures

    CERN Document Server

    Zhang, J; Oron, A; Behringer, Robert P.; Oron, Alexander; Zhang, Jie

    2006-01-01

    Marangoni instabilities in binary mixtures are different from those in pure liquids. In contrast to a large amount of experimental work on Marangoni convection in pure liquids, such experiments in binary mixtures are not available in the literature, to our knowledge. Using binary mixtures of sodium chloride/water, we have systematically investigated the pattern formation for a set of substrate temperatures and solute concentrations in an open system. The flow patterns evolve with time, driven by surface-tension fluctuations due to evaporation and the Soret effect, while the air-liquid interface does not deform. A shadowgraph method is used to follow the pattern formation in time. The patterns are mainly composed of polygons and rolls. The mean pattern size first decreases slightly, and then gradually increases during the evolution. Evaporation affects the pattern formation mainly at the early stage and the local evaporation rate tends to become spatially uniform at the film surface. The Soret effect becomes i...

  16. Mixtures of skewed Kalman filters

    KAUST Repository

    Kim, Hyoungmoon

    2014-01-01

    Normal state-space models are prevalent, but to increase the applicability of the Kalman filter, we propose mixtures of skewed, and extended skewed, Kalman filters. To do so, the closed skew-normal distribution is extended to a scale mixture class of closed skew-normal distributions. Some basic properties are derived and a class of closed skew. t distributions is obtained. Our suggested family of distributions is skewed and has heavy tails too, so it is appropriate for robust analysis. Our proposed special sequential Monte Carlo methods use a random mixture of the closed skew-normal distributions to approximate a target distribution. Hence it is possible to handle skewed and heavy tailed data simultaneously. These methods are illustrated with numerical experiments. © 2013 Elsevier Inc.

  17. Digital sustainable publication of legacy parliamentary proceedings

    NARCIS (Netherlands)

    Marx, M.; Aders, N.; Schuth, A.

    2010-01-01

    We address the problem of publishing parliamentary proceedings in a digital sustainable manner. We give an extensive requirements analysis, and based on that propose a uniform XML format. We evaluated our approach by collecting and automatically processing proceedings from six parliaments spanning a

  18. Proceedings of the International Miconia Conference

    Science.gov (United States)

    Loope, L.L.; Meyer, J.-Y.; Hardesty, B. D.; Smith, C.W.

    2015-01-01

    This proceedings is a compilation of 15 of the 27 papers and posters that were presented at the 2009 International Miconia Conference. The Conference was held in Keanae Hawaii May 4th to 7th 2009, hosted by the Maui Invasive Species Committee. *No official abstract was available for the proceedings...K. Keck

  19. 37 CFR 255.7 - Future proceedings.

    Science.gov (United States)

    2010-07-01

    ... MAKING AND DISTRIBUTING PHONORECORDS § 255.7 Future proceedings. The procedures specified in 17 U.S.C... 37 Patents, Trademarks, and Copyrights 1 2010-07-01 2010-07-01 false Future proceedings. 255.7... and terms for the making of digital phonorecord deliveries during the periods beginning January...

  20. 19 CFR 212.03 - Proceedings covered.

    Science.gov (United States)

    2010-04-01

    ... 19 Customs Duties 3 2010-04-01 2010-04-01 false Proceedings covered. 212.03 Section 212.03 Customs Duties UNITED STATES INTERNATIONAL TRADE COMMISSION INVESTIGATIONS OF UNFAIR PRACTICES IN IMPORT TRADE... fees and expenses related to those portions of the proceedings conducted for the consideration...

  1. 28 CFR 2.75 - Reconsideration proceedings.

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Reconsideration proceedings. 2.75 Section 2.75 Judicial Administration DEPARTMENT OF JUSTICE PAROLE, RELEASE, SUPERVISION AND RECOMMITMENT OF....75 Reconsideration proceedings. (a)(1) Following an initial or subsequent hearing, the Commission...

  2. 25 CFR 43.11 - Informal proceedings.

    Science.gov (United States)

    2010-04-01

    ... 25 Indians 1 2010-04-01 2010-04-01 false Informal proceedings. 43.11 Section 43.11 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR EDUCATION MAINTENANCE AND CONTROL OF STUDENT RECORDS IN BUREAU SCHOOLS § 43.11 Informal proceedings. Educational institutions may attempt to resolve...

  3. 32 CFR 584.4 - Adoption proceedings.

    Science.gov (United States)

    2010-07-01

    ... 32 National Defense 3 2010-07-01 2010-07-01 true Adoption proceedings. 584.4 Section 584.4 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY PERSONNEL FAMILY SUPPORT, CHILD CUSTODY, AND PATERNITY § 584.4 Adoption proceedings. (a) General. This chapter does not apply to...

  4. 28 CFR 0.176 - Congressional proceedings.

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Congressional proceedings. 0.176 Section... by Witnesses § 0.176 Congressional proceedings. (a) A notice of an intention to request an order from a district court compelling testimony or the production of information in a congressional...

  5. 39 CFR 3001.41 - Rulemaking proceedings.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Rulemaking proceedings. 3001.41 Section 3001.41... Applicability § 3001.41 Rulemaking proceedings. (a) General notice. Before the adoption of any rule of general... it impracticable, unnecessary, or contrary to the public interest to give such notice, it may...

  6. Proceedings of the Second APEC Coal Flow Seminar Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-12-05

    This proceedings includes papers presented at the Second APEC Coal Flow Seminar held at Shanghai in December, 1995. Three keynote speeches were presented, and two panel discussions were held. `Medium-term outlook for coal trade,` `Energy and the environment,` and `Progress with environmental control technology and technical exchanges between economies` were presented as keynote speeches. In the panel discussions, `Achieving low environmental impact from coal production and utilization` and `How to tackle environmental issues related to coal` were discussed. The Panel 1 was divided into Part 1 and Part 2. In the Part 1, overview of current environmental protection policy measures was discussed in relation to coal production and use in economies where coal consumption has been increasing significantly. In the Part 2, overview of current environmental protection policy measures was discussed in relation to coal production and use in major coal producing and consuming economies. 38 refs., 64 figs., 31 tabs.

  7. Molecular Thermodynamics for Chemical Process Design

    Science.gov (United States)

    Prausnitz, J. M.

    1976-01-01

    Discusses that aspect of thermodynamics which is particularly important in chemical process design: the calculation of the equilibrium properties of fluid mixtures, especially as required in phase-separation operations. (MLH)

  8. Results of Section 4 Chemical Testing

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Toxic Substances Control Act (TSCA) requires that data be developed on the effect of chemical substances and mixtures on health and the environment. This data...

  9. Taylor dispersion analysis of mixtures.

    Science.gov (United States)

    Cottet, Hervé; Biron, Jean-Philippe; Martin, Michel

    2007-12-01

    Taylor dispersion analysis (TDA) is a fast and simple method for determining hydrodynamic radii. In the case of sample mixtures, TDA, as the other nonseparative methods, leads to an average diffusion coefficient on the different molecules constituting the mixture. We set in this work the equations giving, on a consistent basis, the average values obtained by TDA with detectors with linear response functions. These equations confronted TDA experiments of sample mixtures containing different proportions of a small molecule and a polymer standard. Very good agreement between theory and experiment was obtained. In a second part of this work, on the basis of monomodal or bimodal molar mass distributions of polymers, the different average diffusion coefficients corresponding to TDA were compared to the z-average diffusion coefficient (D(z)) obtained from dynamic light scattering (DLS) experiments and to the weight average diffusion coefficient (D(w)). This latter value is sometimes considered as the most representative of the sample mixture. From these results, it appears that, for monomodal distribution and relatively low polydispersity (I = 1.15), the average diffusion coefficient generally derived from TDA is very close to Dw. However, for highly polydisperse samples (e.g., bimodal polydisperse distributions), important differences could be obtained (up to 35% between TDA and D(w)). In all the cases, the average diffusion coefficient obtained by TDA for a mass concentration detector was closer to the Dw value than the z-average obtained by DLS.

  10. PCaPAC 2006 Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Pavel Chevtsov; Matthew Bickley (Eds.)

    2007-03-30

    The 6-th international PCaPAC (Personal Computers and Particle Accelerator Controls) workshop was held at Jefferson Lab, Newport News, Virginia, from October 24-27, 2006. The main objectives of the conference were to discuss the most important issues of the use of PCs and modern IT technologies for controls of accelerators and to give scientists, engineers, and technicians a forum to exchange the ideas on control problems and their solutions. The workshop consisted of plenary sessions and poster sessions. No parallel sessions were held.Totally, more than seventy oral and poster presentations as well as tutorials were made during the conference, on the basis of which about fifty papers were submitted by the authors and included in this publication. This printed version of the PCaPAC 2006 Proceedings is published at Jefferson Lab according to the decision of the PCaPAC International Program Committee of October 26, 2006.

  11. Direct regeneration of recycled cathode material mixture from scrapped LiFePO4 batteries

    Science.gov (United States)

    Li, Xuelei; Zhang, Jin; Song, Dawei; Song, Jishun; Zhang, Lianqi

    2017-03-01

    A new green recycling process (named as direct regeneration process) of cathode material mixture from scrapped LiFePO4 batteries is designed for the first time. Through this direct regeneration process, high purity cathode material mixture (LiFePO4 + acetylene black), anode material mixture (graphite + acetylene black) and other by-products (shell, Al foil, Cu foil and electrolyte solvent, etc.) are recycled from scrapped LiFePO4 batteries with high yield. Subsequently, recycled cathode material mixture without acid leaching is further directly regenerated with Li2CO3. Direct regeneration procedure of recycled cathode material mixture from 600 to 800 °C is investigated in detail. Cathode material mixture regenerated at 650 °C display excellent physical, chemical and electrochemical performances, which meet the reuse requirement for middle-end Li-ion batteries. The results indicate the green direct regeneration process with low-cost and high added-value is feasible.

  12. Proteomics based compositional analysis of complex cellulase-hemicellulase mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Chundawat, Shishir P.; Lipton, Mary S.; Purvine, Samuel O.; Uppugundla, Nirmal; Gao, Dahai; Balan, Venkatesh; Dale, Bruce E.

    2011-10-07

    Efficient deconstruction of cellulosic biomass to fermentable sugars for fuel and chemical production is accomplished by a complex mixture of cellulases, hemicellulases and accessory enzymes (e.g., >50 extracellular proteins). Cellulolytic enzyme mixtures, produced industrially mostly using fungi like Trichoderma reesei, are poorly characterized in terms of their protein composition and its correlation to hydrolytic activity on cellulosic biomass. The secretomes of commercial glycosyl hydrolase producing microbes was explored using a proteomics approach with high-throughput quantification using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Here, we show that proteomics based spectral counting approach is a reasonably accurate and rapid analytical technique that can be used to determine protein composition of complex glycosyl hydrolase mixtures that also correlates with the specific activity of individual enzymes present within the mixture. For example, a strong linear correlation was seen between Avicelase activity and total cellobiohydrolase content. Reliable, quantitative and cheaper analytical methods that provide insight into the cellulosic biomass degrading fungal and bacterial secretomes would lead to further improvements towards commercialization of plant biomass derived fuels and chemicals.

  13. Proceedings of the joint Russian-American hydrogeology seminar

    Energy Technology Data Exchange (ETDEWEB)

    Tsang, C.F. [ed.] [Lawrence Berkeley National Lab., CA (United States); Mironenko, V. [ed.] [Russian Academy of Sciences, St. Petersburg (Russian Federation). Inst. of Environmental Geology; Pozdniakov, S. [ed.] [Moscow State Univ. (Russian Federation)

    1997-12-31

    Hydrogeology research has been very active in both Russia and the US because of the concerns for migration of radioactive and chemical contaminants in soils and geologic formations, as well as for water problems related to mining and other industrial operations. Russian hydrogeologists have developed various analysis and field testing techniques, sometimes in parallel with US counterparts. These Proceedings come out of a Seminar held to bring together a small group (about 15) of active Russian researchers in geologic flow and transport associated with the disposal of radioactive and chemical wastes either on the soils or through deep injection wells, with a corresponding group (about 25) of American hydrogeologists. The meeting was intentionally kept small to enable informal, detailed and in-depth discussions on hydrogeological issues of common interest. Out of this interaction, the authors hope that, firstly, they will have learned from each other and secondly, that research collaborations will be established where there is the opportunity. This proceedings presents the summaries and viewgraphs from the presentations. What cannot be conveyed here is the warm and cooperative atmosphere of these interactions, both inside and outside the formal sessions, which may well lead to future collaborations.

  14. Evaluation of Hydrated Lime Filler in Asphalt Mixtures

    Directory of Open Access Journals (Sweden)

    Mohammed Abbas Hasan Al-Jumaily

    2008-01-01

    Full Text Available Mineral filler is one of important materials and affecting on properties and quality of asphalt mixtures .There are different types of mineral filler depended on cost and quality , the matter encourages us to achieve this study to evaluate hydrated lime filler effects on properties of asphalt mixes related with strength and durability. Conventional asphaltic concrete mixtures with Portland cement and soft sandstone fillers and mixtures modified with hydrated lime were evaluated for their fundamental engineering properties as defined by Marshall properties , index of retained strength , indirect tensile strength , permanent deformation characteristics , and fatigue resistance .A typical dense graded mixture employed in construction of surface course pavement in Iraq in accordance with SCRB specifications was used .The materials used in this study included mineral aggregate materials (coarse and fine sizes were originally obtained from Najaf Sea quarries and two grades of asphalt cements produced from Daurah refinery which are D47 and D66 . The physical properties , stiffness modulus and chemical composition are evaluated for the recovered asphalt cement from prepared asphalt mixes containing various filler types .The paper results indicated that the addition of hydrated lime as mineral filler improved the permanent deformation characteristics and fatigue life and the use of hydrated lime will decrease the moisture susceptibility of the asphalt mixtures.

  15. Predicting toxicity of aromatic ternary mixtures to algae

    Institute of Scientific and Technical Information of China (English)

    LU GuangHua; WANG Chao; WANG PeiFang; YANG ChengZhi

    2009-01-01

    Aquatic ecosystems are often polluted with more than one type of contaminant, and information on the combined toxic effects of mixed pollutants on aquatic organisms is scarce at present. Acute toxicity of aromatic compounds and their ternary mixtures to the alga (Scenedesmus obliquus) was determined by the algae growth inhibition test. The median effective concentration (EC_(50)) value for a single aromatic compound and EC_(50mix) values for mixtures were obtained, the logarithm of n-octanol/water partition coefficient (logP_(mix)) and the frontier orbital energy gap (△E_(mix) for mixtures were calculated. Based on the quantitative structure-activity relationship model for single chemical toxicity log(1/EC_(50)) =0.426logP-1.150△E+12.61 (n=15, R~2=0.917 and Q~2=0.878), the following two-descriptor model was developed for the ternary mixture toxicity of aromatic compounds: log(1/EC_(50mix))=O.68210gP_(mix)-O.367△E_(mix)+ 4.971 (n=44, R~2-0.869 and Q~2=0.843). This model can be used to predict the combined toxicity of mixtures containing toxicants with different mechanisms of action.

  16. Procedural Justice in Dutch Administrative Court Proceedings

    Directory of Open Access Journals (Sweden)

    André Verburg

    2014-11-01

    Full Text Available In this paper we discuss recent developments in administrative court proceedings in the Netherlands, called the New Approach. Along with developments leading to the New Approach, it became clear that the insights from research on procedural justice deserve particular attention. The goals of the judge's actions in this respect are both that the proceedings are fair and just and that parties perceive the way they are being treated during proceedings as fair and just.Within the New Approach we discern five procedural justice elements: (1 respect, (2 voice and due consideration, (3 some influence on how proceedings will continue, (4 an explanation of how the proceedings will continue and (5 direct interpersonal contact.The introduction of the New Approach shows two important bottlenecks in Dutch administrative court proceedings, which are (i the possible or supposed collision between legally right outcomes and  procedural justice and (ii the lack of uniformity and predictability.Although what we describe and discuss in this paper focuses on the Dutch situation, many of these considerations apply to administrative court proceedings in other countries. The themes and difficulties that face the administrative law judge seem to be common to many countries.

  17. Interactive Chemical Reactivity Exploration

    CERN Document Server

    Haag, Moritz P; Bosson, Mael; Redon, Stephane; Reiher, Markus

    2014-01-01

    Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in quantum chemistry, still a major challenge. Black-box search methods to find intermediates and transition-state structures might fail in such situations because of the high-dimensionality of the potential energy surface. Here, we propose the concept of interactive chemical reactivity exploration to effectively introduce the chemist's intuition into the search process. We employ a haptic pointer device with force-feedback to allow the operator the direct manipulation of structures in three dimensions along with simultaneous perception of the quantum mechanical response upon structure modification as forces. We elaborate on the details of how such an interactive exploration should proceed and which technical difficulties need to be overcome. All reactivity-exploration concepts developed for this purpose have been implemented in the Samson programming environment.

  18. Chemical Emergencies

    Science.gov (United States)

    When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

  19. Experience in forming and core mixtures by Alphaset technology

    OpenAIRE

    I. Vasková; M. Smolková; J. Malik; Eperješi Š.

    2008-01-01

    Chemically bound mixtures have had the evolution effect upon the economical and quality aspects of the foundry operations since they presentation at the market. The higher output and significantly increased production efficiency of moulds and cores has lead to the material increase in the quality and profit of the foundries. It can be seen that in last several years the knowledge of bounds based on the organic resins has made enormous advances. The higher strength, improved properties under e...

  20. Molten fluoride mixtures as possible fission reactor fuels

    Energy Technology Data Exchange (ETDEWEB)

    Grimes, W.R.

    1978-01-01

    Molten mixtures of fluorides with UF/sub 4/ as a component have been used as combined fuel and primary heat transfer agent in experimental high-temperature reactors and have been proposed for use in breeders or converters of /sup 233/U from thorium. Such use places stringent and diverse demands upon the fluid fuel. A brief review of chemical behavior of molten fluorides is given to show some of their strengths and weaknesses for such service.

  1. A four-step approach to evaluate mixtures for consistency with dose addition.

    Science.gov (United States)

    Hertzberg, Richard C; Pan, Yi; Li, Ruosha; Haber, Lynne T; Lyles, Robert H; Herr, David W; Moser, Virginia C; Simmons, Jane Ellen

    2013-11-16

    Mixture risk assessment is often hampered by the lack of dose-response information on the mixture being assessed, forcing reliance on component formulas such as dose addition. We present a four-step approach for evaluating chemical mixture data for consistency with dose addition for use in supporting a component based mixture risk assessment. Following the concepts in the U.S. EPA mixture risk guidance (U.S. EPA, 2000a,b), toxicological interaction for a defined mixture (all components known) is departure from a clearly articulated definition of component additivity. For the common approach of dose additivity, the EPA guidance identifies three desirable characteristics, foremost of which is that the component chemicals are toxicologically similar. The other two characteristics are empirical: the mixture components have toxic potencies that are fixed proportions of each other (throughout the dose range of interest), and the mixture dose term in the dose additive prediction formula, which we call the combined prediction model (CPM), can be represented by a linear combination of the component doses. A consequent property of the proportional toxic potencies is that the component chemicals must share a common dose-response model, where only the dose coefficients depend on the chemical components. A further consequence is that the mixture data must be described by the same mathematical function ("mixture model") as the components, but with a distinct coefficient for the total mixture dose. The mixture response is predicted from the component dose-response curves by using the dose additive CPM and the prediction is then compared with the observed mixture results. The four steps are to evaluate: (1) toxic proportionality by determining how well the CPM matches the single chemical models regarding mean and variance; (2) fit of the mixture model to the mixture data; (3) agreement between the mixture data and the CPM prediction; and (4) consistency between the CPM and the

  2. Binary mixtures of chiral gases

    CERN Document Server

    Presilla, Carlo

    2015-01-01

    A possible solution of the well known paradox of chiral molecules is based on the idea of spontaneous symmetry breaking. At low pressure the molecules are delocalized between the two minima of a given molecular potential while at higher pressure they become localized in one minimum due to the intermolecular dipole-dipole interactions. Evidence for such a phase transition is provided by measurements of the inversion spectrum of ammonia and deuterated ammonia at different pressures. In particular, at pressure greater than a critical value no inversion line is observed. These data are well accounted for by a model previously developed and recently extended to mixtures. In the present paper, we discuss the variation of the critical pressure in binary mixtures as a function of the fractions of the constituents.

  3. Atomistic Simulations of Bicelle Mixtures

    OpenAIRE

    Jiang, Yong; Wang, Hao; Kindt, James T.

    2010-01-01

    Mixtures of long- and short-tail phosphatidylcholine lipids are known to self-assemble into a variety of aggregates combining flat bilayerlike and curved micellelike features, commonly called bicelles. Atomistic simulations of bilayer ribbons and perforated bilayers containing dimyristoylphosphatidylcholine (DMPC, di-C14 tails) and dihexanoylphosphatidylcholine (DHPC, di-C6 tails) have been carried out to investigate the partitioning of these components between flat and curved microenvironmen...

  4. Chemical engineering education: a gallimaufry of thoughts.

    Science.gov (United States)

    Bird, R Byron

    2010-01-01

    To discuss various facets of chemical engineering education, I proceed step by step through my own education and career. In this way, I touch on various points concerning the operation of the educational system that may be of interest to others.

  5. FRACTIONAL TRANSPORT OF SEDIMENT MIXTURES

    Institute of Scientific and Technical Information of China (English)

    Baosheng WU; Albert MOLINAS; Anping SHU

    2003-01-01

    A new method based on the Transport Capacity Fraction (TCF) concept is proposed to compute the fractional transport rates for nonuniform sediment mixtures in sand-bed channels. The TCF concept is derived from the understanding that the measurements and predictions of bed-material load are more accurate and reliable than the measurements and predictions of fractional loads. First the bed-material load is computed using an appropriate equation, then the fractional transport rates are determined by distributing the bed-material load into size groups through a transport capacity distribution function. For the computation of bed-material loads, the Aekers and White, Engelund and Hansen, and Yang equations are used in this study. Two new transport capacity distribution functions are developed for flows in sand-bed channels. The new expressions presented in this paper account for the sheltering and exposure effects that exist in mixtures. Comparisons with measured data show that the proposed method can significantly improve the predictions of fractional transport rates for nonuniform sediment mixtures.

  6. Mixture component effects on the in vitro dermal absorption of pentachlorophenol

    Energy Technology Data Exchange (ETDEWEB)

    Riviere, J.E.; Qiao, G.; Baynes, R.E.; Brooks, J.D. [Coll. of Veterinary Medicine, North Carolina State Univ., Raleigh, NC (United States); Mumtaz, M. [Agency for Toxic Substances and Disease Registry (ATSDR), Atlanta, GA (United States)

    2001-08-01

    Interactions between chemicals in a mixture and interactions of mixture components with the skin can significantly alter the rate and extent of percutaneous absorption, as well as the cutaneous disposition of a topically applied chemical. The predictive ability of dermal absorption models, and consequently the dermal risk assessment process, would be greatly improved by the elucidation and characterization of these interactions. Pentachlorophenol (PCP), a compound known to penetrate the skin readily, was used as a marker compound to examine mixture component effects using in vitro porcine skin models. PCP was administered in ethanol or in a 40% ethanol/60% water mixture or a 40% ethanol/60% water mixture containing either the rubefacient methyl nicotinate (MNA) or the surfactant sodium lauryl sulfate (SLS), or both MNA and SLS. Experiments were also conducted with {sup 14}C-labelled 3,3',4,4'-tetrachlorobiphenyl (TCB) and 3,3',4,4',5-pentachlorobiphenyl (PCB). Maximal PCP absorption was 14.12% of the applied dose from the mixture containing SLS, MNA, ethanol and water. However, when PCP was administered in ethanol only, absorption was only 1.12% of the applied dose. There were also qualitative differences among the absorption profiles for the different PCP mixtures. In contrast with the PCP results, absorption of TCB or PCB was negligible in perfused porcine skin, with only 0.14% of the applied TCB dose and 0.05% of the applied PCB dose being maximally absorbed. The low absorption levels for the PCB congeners precluded the identification of mixture component effects. These results suggest that dermal absorption estimates from a single chemical exposure may not reflect absorption seen after exposure as a chemical mixture and that absorption of both TCB and PCB are minimal in this model system. (orig.)

  7. Front Matter: Volume 1 (Proceedings of CBU

    Directory of Open Access Journals (Sweden)

    Petr Hájek

    2013-06-01

    Full Text Available This PDF file contains the front matter associated with CBU Proceedings Volume 1 including the Title Page, Copyright information, Table of Contents, Introduction, and Conference Committee listing.

  8. Front Matter: Volume 3 (Proceedings of CBU

    Directory of Open Access Journals (Sweden)

    Petr Hájek

    2015-09-01

    Full Text Available This PDF file contains the front matter associated with CBU Proceedings Volume 1 including the Title Page, Copyright information, Table of Contents, Introduction, and Conference Committee listing.

  9. Proceedings of the heavy ion fusion workshop

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, R C [ed.

    1978-01-01

    These proceedings contain reviews of current laboratory programs dealing with inertial fusion driven by beams of heavy ions, as well as several individually abstracted invited talks, workshop reports and contributed papers.

  10. HTS Wire Development Workshop: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    1994-07-01

    The 1994 High-Temperature Superconducting Wire Development Workshop was held on February 16--17 at the St. Petersburg Hilton and Towers in St. Petersburg, Florida. The meeting was hosted by Florida Power Corporation and sponsored by the US Department of Energy`s Superconductivity Program for Electric Power Systems. The meeting focused on recent high-temperature superconducting wire development activities in the Department of Energy`s Superconductivity Systems program. The meeting opened with a general discussion on the needs and benefits of superconductivity from a utility perspective, the US global competitiveness position, and an outlook on the overall prospects of wire development. The meeting then focused on four important technology areas: Wire characterization: issues and needs; technology for overcoming barriers: weak links and flux pinning; manufacturing issues for long wire lengths; and physical properties of HTS coils. Following in-depth presentations, working groups were formed in each technology area to discuss the most important current research and development issues. The working groups identified research areas that have the potential for greatly enhancing the wire development effort. These areas are discussed in the summary reports from each of the working groups. This document is a compilation of the workshop proceedings including all general session presentations and summary reports from the working groups.

  11. 21 CFR 82.6 - Certifiable mixtures.

    Science.gov (United States)

    2010-04-01

    ... mixture is harmless and suitable for use therein; and (3) No diluent (except resins, natural gum, pectin... mixture is for external application to shell eggs, or for use in coloring a food specified in the...

  12. Hard-sphere kinetic models for inert and reactive mixtures

    Science.gov (United States)

    Polewczak, Jacek

    2016-10-01

    I consider stochastic variants of a simple reacting sphere (SRS) kinetic model (Xystris and Dahler 1978 J. Chem. Phys. 68 387-401, Qin and Dahler 1995 J. Chem. Phys. 103 725-50, Dahler and Qin 2003 J. Chem. Phys. 118 8396-404) for dense reacting mixtures. In contrast to the line-of-center models of chemical reactive models, in the SRS kinetic model, the microscopic reversibility (detailed balance) can be easily shown to be satisfied, and thus all mathematical aspects of the model can be fully justified. In the SRS model, the molecules behave as if they were single mass points with two internal states. Collisions may alter the internal states of the molecules, and this occurs when the kinetic energy associated with the reactive motion exceeds the activation energy. Reactive and non-reactive collision events are considered to be hard sphere-like. I consider a four component mixture A, B, A *, B *, in which the chemical reactions are of the type A+B\\rightleftharpoons {{A}\\ast}+{{B}\\ast} , with A * and B * being distinct species from A and B. This work extends the joined works with George Stell to the kinetic models of dense inert and reactive mixtures. The idea of introducing smearing-type effect in the collisional process results in a new class of stochastic kinetic models for both inert and reactive mixtures. In this paper the important new mathematical properties of such systems of kinetic equations are proven. The new results for stochastic revised Enskog system for inert mixtures are also provided.

  13. Effects of active pharmaceutical ingredients mixtures in mussel Mytilus galloprovincialis.

    Science.gov (United States)

    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

  14. Applied chemical engineering thermodynamics

    CERN Document Server

    Tassios, Dimitrios P

    1993-01-01

    Applied Chemical Engineering Thermodynamics provides the undergraduate and graduate student of chemical engineering with the basic knowledge, the methodology and the references he needs to apply it in industrial practice. Thus, in addition to the classical topics of the laws of thermodynamics,pure component and mixture thermodynamic properties as well as phase and chemical equilibria the reader will find: - history of thermodynamics - energy conservation - internmolecular forces and molecular thermodynamics - cubic equations of state - statistical mechanics. A great number of calculated problems with solutions and an appendix with numerous tables of numbers of practical importance are extremely helpful for applied calculations. The computer programs on the included disk help the student to become familiar with the typical methods used in industry for volumetric and vapor-liquid equilibria calculations.

  15. Potential Impacts of Spilled Hydraulic Fracturing Fluid Chemicals on Water Resources: Types, volumes, and physical-chemical properties of chemicals

    Science.gov (United States)

    Hydraulic fracturing (HF) fluid chemicals spilled on-site may impact drinking water resources. While chemicals generally make up <2% of the total injected fluid composition by mass, spills may have undiluted concentrations. HF fluids typically consist of a mixture of base flui...

  16. Mushrooms and Health Summit proceedings.

    Science.gov (United States)

    Feeney, Mary Jo; Dwyer, Johanna; Hasler-Lewis, Clare M; Milner, John A; Noakes, Manny; Rowe, Sylvia; Wach, Mark; Beelman, Robert B; Caldwell, Joe; Cantorna, Margherita T; Castlebury, Lisa A; Chang, Shu-Ting; Cheskin, Lawrence J; Clemens, Roger; Drescher, Greg; Fulgoni, Victor L; Haytowitz, David B; Hubbard, Van S; Law, David; Myrdal Miller, Amy; Minor, Bart; Percival, Susan S; Riscuta, Gabriela; Schneeman, Barbara; Thornsbury, Suzanne; Toner, Cheryl D; Woteki, Catherine E; Wu, Dayong

    2014-07-01

    The Mushroom Council convened the Mushrooms and Health Summit in Washington, DC, on 9-10 September 2013. The proceedings are synthesized in this article. Although mushrooms have long been regarded as health-promoting foods, research specific to their role in a healthful diet and in health promotion has advanced in the past decade. The earliest mushroom cultivation was documented in China, which remains among the top global mushroom producers, along with the United States, Italy, The Netherlands, and Poland. Although considered a vegetable in dietary advice, mushrooms are fungi, set apart by vitamin B-12 in very low quantity but in the same form found in meat, ergosterol converted with UV light to vitamin D2, and conjugated linoleic acid. Mushrooms are a rare source of ergothioneine as well as selenium, fiber, and several other vitamins and minerals. Some preclinical and clinical studies suggest impacts of mushrooms on cognition, weight management, oral health, and cancer risk. Preliminary evidence suggests that mushrooms may support healthy immune and inflammatory responses through interaction with the gut microbiota, enhancing development of adaptive immunity, and improved immune cell functionality. In addition to imparting direct nutritional and health benefits, analysis of U.S. food intake survey data reveals that mushrooms are associated with higher dietary quality. Also, early sensory research suggests that mushrooms blended with meats and lower sodium dishes are well liked and may help to reduce intakes of red meat and salt without compromising taste. As research progresses on the specific health effects of mushrooms, there is a need for effective communication efforts to leverage mushrooms to improve overall dietary quality.

  17. CHEMICAL FIXATION OF CARBON DIOXIDE USING SOLVENT EXTRACTION

    OpenAIRE

    SASAMOTO, Naoki; MASHIMO, Miki; MATSUMOTO, Shigeno; Yamamoto, Hideki; SHIBATA, Junji

    1996-01-01

    Investigations were carried out to create a chemical fixation process,where carbon dioxide and sodium chloride solution are converted to sodium hydrogen carbonate and hydrochloric acid. Because the reaction has a large and positive free energy change,it does not proceed unless a suitable condition is established.The reaction is able to proceed if hydrochloric acid,which is one of the reaction products,is removed from the reaction system by extraction with amine.Stripping of hydrochloric acid ...

  18. Strategies for Transferring Mixtures of Organic Contaminants from Aquatic Environments into Bioassays.

    Science.gov (United States)

    Jahnke, Annika; Mayer, Philipp; Schäfer, Sabine; Witt, Gesine; Haase, Nora; Escher, Beate I

    2016-06-07

    Mixtures of organic contaminants are ubiquitous in the environment. Depending on their persistence and physicochemical properties, individual chemicals that make up the mixture partition and distribute within the environment and might then jointly elicit toxicological effects. For the assessment and monitoring of such mixtures, a variety of cell-based in vitro and low-complexity in vivo bioassays based on algae, daphnids or fish embryos are available. A very important and sometimes unrecognized challenge is how to combine sampling, extraction and dosing to transfer the mixtures from the environment into bioassays, while conserving (or re-establishing) their chemical composition at adjustable levels for concentration-effect assessment. This article outlines various strategies for quantifiable transfer from environmental samples including water, sediment, and biota into bioassays using total extraction or polymer-based passive sampling combined with either solvent spiking or passive dosing.

  19. A modified UNIQUAC equation for mixtures containing self-associating compounds

    Directory of Open Access Journals (Sweden)

    P. A. Pessôa Filho

    2005-09-01

    Full Text Available The UNIQUAC model for the excess Gibbs energy is modified using chemical theory to account for chain-like association occurring in self-associating compounds such as alcohols. The equation considers the alcohol to be a mixture of clusters in chemical equilibrium. The UNIQUAC equation is used to model the behavior of the mixture of clusters, with size and surface parameters related to the number of alcohol molecules involved in their formation. The values of association enthalpy and entropy were obtained through fitting vapor pressure data. The model is used to correlate phase behavior of alcohol-hydrocarbon mixtures at low pressures, presenting excellent results in bubble point calculations. A further extension was made to allow for cross-association, the formation of a hydrogen bond between the molecules of an alcohol and an active solute. This extension was used to model alcohol-aromatic mixtures with equally good results.

  20. Fluctuating hydrodynamics of multi-species reactive mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharjee, Amit Kumar; Donev, Aleksandar [Courant Institute of Mathematical Sciences, New York University, 251 Mercer Street, New York, New York 10012 (United States); Balakrishnan, Kaushik [Jet Propulsion Laboratory, 4800 Oak Grove Drive, Pasadena, California 91109 (United States); Garcia, Alejandro L. [Department of Physics and Astronomy, San Jose State University, 1 Washington Square, San Jose, California 95192 (United States); Bell, John B. [Computational Research Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States)

    2015-06-14

    We formulate and study computationally the fluctuating compressible Navier-Stokes equations for reactive multi-species fluid mixtures. We contrast two different expressions for the covariance of the stochastic chemical production rate in the Langevin formulation of stochastic chemistry, and compare both of them to predictions of the chemical master equation for homogeneous well-mixed systems close to and far from thermodynamic equilibrium. We develop a numerical scheme for inhomogeneous reactive flows, based on our previous methods for non-reactive mixtures [Balakrishnan , Phys. Rev. E 89, 013017 (2014)]. We study the suppression of non-equilibrium long-ranged correlations of concentration fluctuations by chemical reactions, as well as the enhancement of pattern formation by spontaneous fluctuations. Good agreement with available theory demonstrates that the formulation is robust and a useful tool in the study of fluctuations in reactive multi-species fluids. At the same time, several problems with Langevin formulations of stochastic chemistry are identified, suggesting that future work should examine combining Langevin and master equation descriptions of hydrodynamic and chemical fluctuations.

  1. Concentration addition, independent action and generalized concentration addition models for mixture effect prediction of sex hormone synthesis in vitro

    DEFF Research Database (Denmark)

    Hadrup, Niels; Taxvig, Camilla; Pedersen, Mikael;

    2013-01-01

    , antagonism was observed for effects of Mixture 2 on this hormone. The mixtures contained chemicals exerting only limited maximal effects. This hampered prediction by the CA and IA models, whereas the GCA model could be used to predict a full dose response curve. Regarding effects on progesterone...

  2. Mixture toxicity of three toxicants with similar and dissimilar modes of action to Daphnia magna.

    Science.gov (United States)

    Syberg, Kristian; Elleby, Anders; Pedersen, Henrik; Cedergreen, Nina; Forbes, Valery E

    2008-03-01

    Mixture toxicity of similar- and dissimilar-acting toxicants can be predicted by the models concentration addition (CA) and independent action (IA) using single substance toxicity data. Knowledge of the toxicants mode of action is thus required in order to use the models. In order to test the predictive capability of the models, we conducted Daphnia magna 48 h immobilization experiments with three toxicants with known modes of action (dimethoate, pirimicarb and linear alkyl benzene sulfonate) singly, and in binary and ternary mixtures. Our results indicate that CA and IA predict binary mixtures of similar- and dissimilar-acting toxicants equally well. CA and IA also equally predicted the ternary mixture consisting of both similar- and dissimilar-acting chemicals. The paper discusses the concept of mode of action and the implications the definition of mode of action has on the choice of reference model for mixture toxicity studies.

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

    Science.gov (United States)

    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.

  4. Modeling mixtures of thyroid gland function disruptors in a vertebrate alternative model, the zebrafish eleutheroembryo

    Energy Technology Data Exchange (ETDEWEB)

    Thienpont, Benedicte; Barata, Carlos [Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA, CSIC), Jordi Girona, 18-26, 08034 Barcelona (Spain); Raldúa, Demetrio, E-mail: drpqam@cid.csic.es [Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA, CSIC), Jordi Girona, 18-26, 08034 Barcelona (Spain); Maladies Rares: Génétique et Métabolisme (MRGM), University of Bordeaux, EA 4576, F-33400 Talence (France)

    2013-06-01

    Maternal thyroxine (T4) plays an essential role in fetal brain development, and even mild and transitory deficits in free-T4 in pregnant women can produce irreversible neurological effects in their offspring. Women of childbearing age are daily exposed to mixtures of chemicals disrupting the thyroid gland function (TGFDs) through the diet, drinking water, air and pharmaceuticals, which has raised the highest concern for the potential additive or synergic effects on the development of mild hypothyroxinemia during early pregnancy. Recently we demonstrated that zebrafish eleutheroembryos provide a suitable alternative model for screening chemicals impairing the thyroid hormone synthesis. The present study used the intrafollicular T4-content (IT4C) of zebrafish eleutheroembryos as integrative endpoint for testing the hypotheses that the effect of mixtures of TGFDs with a similar mode of action [inhibition of thyroid peroxidase (TPO)] was well predicted by a concentration addition concept (CA) model, whereas the response addition concept (RA) model predicted better the effect of dissimilarly acting binary mixtures of TGFDs [TPO-inhibitors and sodium-iodide symporter (NIS)-inhibitors]. However, CA model provided better prediction of joint effects than RA in five out of the six tested mixtures. The exception being the mixture MMI (TPO-inhibitor)-KClO{sub 4} (NIS-inhibitor) dosed at a fixed ratio of EC{sub 10} that provided similar CA and RA predictions and hence it was difficult to get any conclusive result. There results support the phenomenological similarity criterion stating that the concept of concentration addition could be extended to mixture constituents having common apical endpoints or common adverse outcomes. - Highlights: • Potential synergic or additive effect of mixtures of chemicals on thyroid function. • Zebrafish as alternative model for testing the effect of mixtures of goitrogens. • Concentration addition seems to predict better the effect of

  5. Proceedings of the Neural Network Workshop for the Hanford Community

    Energy Technology Data Exchange (ETDEWEB)

    Keller, P.E.

    1994-01-01

    These proceedings were generated from a series of presentations made at the Neural Network Workshop for the Hanford Community. The abstracts and viewgraphs of each presentation are reproduced in these proceedings. This workshop was sponsored by the Computing and Information Sciences Department in the Molecular Science Research Center (MSRC) at the Pacific Northwest Laboratory (PNL). Artificial neural networks constitute a new information processing technology that is destined within the next few years, to provide the world with a vast array of new products. A major reason for this is that artificial neural networks are able to provide solutions to a wide variety of complex problems in a much simpler fashion than is possible using existing techniques. In recognition of these capabilities, many scientists and engineers are exploring the potential application of this new technology to their fields of study. An artificial neural network (ANN) can be a software simulation, an electronic circuit, optical system, or even an electro-chemical system designed to emulate some of the brain`s rudimentary structure as well as some of the learning processes that are believed to take place in the brain. For a very wide range of applications in science, engineering, and information technology, ANNs offer a complementary and potentially superior approach to that provided by conventional computing and conventional artificial intelligence. This is because, unlike conventional computers, which have to be programmed, ANNs essentially learn from experience and can be trained in a straightforward fashion to carry out tasks ranging from the simple to the highly complex.

  6. The Kinetics of Enzyme Mixtures

    Directory of Open Access Journals (Sweden)

    Simon Brown

    2014-03-01

    Full Text Available Even purified enzyme preparations are often heterogeneous. For example, preparations of aspartate aminotransferase or cytochrome oxidase can consist of several different forms of the enzyme. For this reason we consider how different the kinetics of the reactions catalysed by a mixture of forms of an enzyme must be to provide some indication of the characteristics of the species present. Based on the standard Michaelis-Menten model, we show that if the Michaelis constants (Km of two isoforms differ by a factor of at least 20 the steady-state kinetics can be used to characterise the mixture. However, even if heterogeneity is reflected in the kinetic data, the proportions of the different forms of the enzyme cannot be estimated from the kinetic data alone. Consequently, the heterogeneity of enzyme preparations is rarely reflected in measurements of their steady-state kinetics unless the species present have significantly different kinetic properties. This has two implications: (1 it is difficult, but not impossible, to detect molecular heterogeneity using kinetic data and (2 even when it is possible, a considerable quantity of high quality data is required.

  7. Supercritical Water Mixture (SCWM) Experiment

    Science.gov (United States)

    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.

  8. Atomistic simulations of bicelle mixtures.

    Science.gov (United States)

    Jiang, Yong; Wang, Hao; Kindt, James T

    2010-06-16

    Mixtures of long- and short-tail phosphatidylcholine lipids are known to self-assemble into a variety of aggregates combining flat bilayerlike and curved micellelike features, commonly called bicelles. Atomistic simulations of bilayer ribbons and perforated bilayers containing dimyristoylphosphatidylcholine (DMPC, di-C(14) tails) and dihexanoylphosphatidylcholine (DHPC, di-C(6) tails) have been carried out to investigate the partitioning of these components between flat and curved microenvironments and the stabilization of the bilayer edge by DHPC. To approach equilibrium partitioning of lipids on an achievable simulation timescale, configuration-bias Monte Carlo mutation moves were used to allow individual lipids to change tail length within a semigrand-canonical ensemble. Since acceptance probabilities for direct transitions between DMPC and DHPC were negligible, a third component with intermediate tail length (didecanoylphosphatidylcholine, di-C(10) tails) was included at a low concentration to serve as an intermediate for transitions between DMPC and DHPC. Strong enrichment of DHPC is seen at ribbon and pore edges, with an excess linear density of approximately 3 nm(-1). The simulation model yields estimates for the onset of edge stability with increasing bilayer DHPC content between 5% and 15% DHPC at 300 K and between 7% and 17% DHPC at 323 K, higher than experimental estimates. Local structure and composition at points of close contact between pores suggest a possible mechanism for effective attractions between pores, providing a rationalization for the tendency of bicelle mixtures to aggregate into perforated vesicles and perforated sheets.

  9. Shock compression response of Ti+B reactive powder mixtures

    Science.gov (United States)

    Gonzales, M.; Gurumurthy, A.; Kennedy, G. B.; Gokhale, A. M.; Thadhani, N. N.

    2014-05-01

    The shock compression response of Ti+2B (1:2 Ti:B stoichiometric ratio) reactive powder mixtures at ~50% theoretical material density (TMD) is investigated for shock pressures up to 5 GPa to investigate the possible shock-induced chemical reactivity of this highly exothermic mixture. The shock adiabat is produced from instrumented parallel-plate gas-gun impact experiments on encapsulated powders using poly-vinylidene fluoride (PVDF) stress gauges to measure the input and propagated stresses and wave speed in the powder. The shock compression regime is probed from crush-up to full density and onward to assess the potential onset of a shock-induced chemical reaction event in the powder mixture. A series of two-dimensional continuum meso-scale simulations on validated simulated microstructures are performed to predict the shock compression response and identify the meso-scale mechanics that are essential for reaction. The suitability of the synthetic microstructural representations is evaluated by comparing the experimental and predicted pressure traces.

  10. Effect of Mixture Pressure and Equivalence Ratio on Detonation Cell Size for Hydrogen-Air Mixtures

    Science.gov (United States)

    2015-06-01

    EFFECT OF MIXTURE PRESSURE AND EQUIVALENCE RATIO ON DETONATION CELL SIZE FOR HYDROGEN -AIR MIXTURES...protection in the United States. AFIT-ENY-MS-15-J-045 EFFECT OF MIXTURE PRESSURE AND EQUIVALENCE RATIO ON DETONATION CELL SIZE FOR HYDROGEN -AIR...DISTRIBUTION UNLIMITED. AFIT-ENY-MS-15-J-045 EFFECT OF MIXTURE PRESSURE AND EQUIVALENCE RATIO ON DETONATION CELL SIZE FOR HYDROGEN -AIR MIXTURES

  11. Ultrasonic Investigations of Molecular Interaction in Binary Mixtures of Benzyl Benzoate with Acetonitrile and Benzonitrile

    Directory of Open Access Journals (Sweden)

    N. Jaya Madhuri

    2011-01-01

    Full Text Available Ultrasonic velocity, density and viscosity have been measured in the binary mixtures of benzyl benzoate with acetonitrile, benzonitrile at three temperatures 30, 40 and 50 °C. From the experimental data, thermodynamic parameters like adiabatic compressibility, internal pressure, enthalpy, activation energy etc., were computed and the molecular interactions were predicted based on the variation of excess parameters in the mixture. Also theoretical evaluation of velocities was made employing the standard theories. CFT and NOMOTO were found to have an edge. All the three mixtures have shown out strong intermolecular interactions between the unlike molecules and endothermic type of chemical reaction.

  12. Transcriptional impact of organophosphate and metal mixtures on olfaction: Copper dominates the chlorpyrifos-induced response in adult zebrafish

    OpenAIRE

    Tilton, Fred A.; Tilton, Susan C.; Bammler, Theo K.; Beyer, Richard P; Stapleton, Patricia L.; Nathaniel L Scholz; Gallagher, Evan P.

    2011-01-01

    Chemical exposures in fish have been linked to loss of olfaction leading to an inability to detect predators and prey and decreased survival. However, the mechanisms underlying olfactory neurotoxicity are not well characterized, especially in environmental exposures which involve chemical mixtures. We used zebrafish to characterize olfactory transcriptional responses by two model olfactory inhibitors, the pesticide chlorpyrifos (CPF) and mixtures of CPF with the neurotoxic metal copper (Cu). ...

  13. Modelagem dos processos químicos em plasmas de misturas gasosas usadas na corrosão de silício. Parte 2: SF6 / O2 Modeling of the chemical processes in the plasma of gaseous mixtures used in the etching of silicon. Part 2: SF6 / O2

    Directory of Open Access Journals (Sweden)

    G. F. Bauerfeldt

    1998-02-01

    Full Text Available In this work, a numerical modeling analysis of the gas-phase decomposition of SF6 / O2 mixtures, in the presence of silicon, was performed. The relative importance of individual processes and the effect of the parameters' uncertainties were determined. The model was compared with experimental data for the plasma etching of silicon and with the calculated results for the CF4 / O2 system. In both systems the main etching agent is the fluorine atom and the concentration of the major species depends on the composition of the mixture. The etching rate is greater for SF6 / O2.

  14. The Hamilton principle for fluid binary mixtures with two temperatures

    CERN Document Server

    Gouin, Henri

    2009-01-01

    For binary mixtures of fluids without chemical reactions, but with components having different temperatures, the Hamilton principle of least action is able to produce the equation of motion for each component and a balance equation of the total heat exchange between components. In this nonconservative case, a Gibbs dynamical identity connecting the equations of momenta, masses, energy and heat exchange allows to deduce the balance equation of energy of the mixture. Due to the unknown exchange of heat between components, the number of obtained equations is less than the number of field variables. The second law of thermodynamics constrains the possible expression of a supplementary constitutive equation closing the system of equations. The exchange of energy between components produces an increasing rate of entropy and creates a dynamical pressure term associated with the difference of temperature between components. This new dynamical pressure term fits with the results obtained by classical thermodynamical a...

  15. Ionic liquids for separation of olefin-paraffin mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2014-07-15

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  16. An integral equation model for warm and hot dense mixtures

    CERN Document Server

    Starrett, C E; Daligault, J; Hamel, S

    2014-01-01

    In Starrett and Saumon [Phys. Rev. E 87, 013104 (2013)] a model for the calculation of electronic and ionic structures of warm and hot dense matter was described and validated. In that model the electronic structure of one "atom" in a plasma is determined using a density functional theory based average-atom (AA) model, and the ionic structure is determined by coupling the AA model to integral equations governing the fluid structure. That model was for plasmas with one nuclear species only. Here we extend it to treat plasmas with many nuclear species, i.e. mixtures, and apply it to a carbon-hydrogen mixture relevant to inertial confinement fusion experiments. Comparison of the predicted electronic and ionic structures with orbital-free and Kohn-Sham molecular dynamics simulations reveals excellent agreement wherever chemical bonding is not significant.

  17. Synthesis of Copper Nanoparticles Using Mixture of Allylamine and Polyallylamine

    Directory of Open Access Journals (Sweden)

    Rubén Sierra-Ávila

    2015-01-01

    Full Text Available Copper nanoparticles (Cu-NPs with sizes lower than 31 nm were prepared by wet chemical reduction using copper sulfate solution, hydrazine, and mixture of allylamine (AAm and polyallylamine (PAAm as stabilizing agents. The use of AAm/PAAm mixture leads to the formation of Cu and CuO nanoparticles. The resulting nanostructures were characterized by XRD, TGA, and TEM. The average particle diameters were determined by the Debye-Scherrer equation. Analysis by TGA, TEM, GS-MS, and 1HNMR reveals that synthesized NPs with AAm presented a coating with similar characteristics to NPs with PAAm, suggesting that AAm underwent polymerization during the synthesis. The synthesis of NPs using AAm could be a good alternative to reduce production costs.

  18. Seminar Proceedings Coastal and Inland Water Quality 22nd Held in Las Vegas, Nevada on 6-7 February 1990

    Science.gov (United States)

    1990-05-01

    Air Entrainment by Plunging Liquid Jets ," Proceedings: Symposium...pp. 1577-1593. Mckeogh, E. J. and Ervine, D. A. 1981. " Air Entrainment Rate and Diffusion Pattern of Plunging Liquid Jets ," Chemical Engineering...E. M. 1980. " Air Retained in Pool by Plunging Water Jet ," Journal of the Hydraulics Division, American Society of Civil Engineers, Vol., 106, No.

  19. 1988 DOE model conference proceedings: Volume 1

    Energy Technology Data Exchange (ETDEWEB)

    1988-01-01

    These Proceedings of the October 3-7, 1988, DOE Model Conference are a compilation of the papers that were presented in the technical or poster sessions at the conference. Papers and posters not submitted for publication are not included in the Proceedings. The Table of Contents lists the titles of papers as well as the names of the presenters. These individuals are not, in all cases, the primary authors of the papers published. The actual title pages, appearing later with the papers, show the primary author(s) and all co-authors. The papers in all three volumes of the Proceedings appear as they were originally submitted for publication and have not been edited or changed in any way. Topics included in Volume 1 are Environmental Data Management, Site characterization technology, Wastewater treatment, Waste management in foreign countries, Transuranic waste management, and Groundwater characterization and treatment.

  20. 1988 DOE model conference proceedings: Volume 4

    Energy Technology Data Exchange (ETDEWEB)

    1988-01-01

    These Proceedings of the October 3-7, 1988, DOE Model Conference are a compilation of the papers that were presented in the technical or poster sessions at the conference. Papers and posters not submitted for publication are not included in the Proceedings. The Table of Contents lists the titles of papers as well as the names of the presenters. These individuals are not, in all cases, the primary authors of the papers published. The actual title pages, appearing later with the papers, show the primary author(s) and all co-authors. The papers in all three volumes of the Proceedings appear as they were originally submitted for publication and have not been edited or changed in any way. Topics discussed in Volume 4 include site characterization and remediation projects, environmental monitoring and modeling; disposal site selection and facility design, risk assessment, safety and health issues, and site remediation technology.

  1. 1988 DOE model conference proceedings: Volume 3

    Energy Technology Data Exchange (ETDEWEB)

    1988-01-01

    These Proceedings of the October 3 - 7, 1988, DOE Model Conference are a compilation of the papers that were presented in the technical or poster sessions at the conference. Papers and posters not submitted for publication are not included in the Proceedings. The Table of Contents lists the titles of papers as well as the names of the presenters. These individuals are not, in all cases, the primary authors of the papers published. The actual title pages, appearing later with the papers, show the primary author(s) and all co-authors. The papers in all three volumes of the proceedings appear as they were originally submitted for publication and have not been edited or changed in any way. Topics included in Volume 3 include treatment of soils, waste characterization and certification, waste minimization site remediation management plans and programs, and training programs.

  2. 1988 DOE model conference proceedings: Volume 5

    Energy Technology Data Exchange (ETDEWEB)

    1988-01-01

    These Proceedings of the October 3--7, 1988 DOE Model Conference are a compilation of the papers that were presented in the technical or poster sessions at the conference papers and posters not submitted for publication are not included in the Proceedings. The Table of Contents lists the titles of papers as well as the names of the presenters. These individuals are not, in all cases, the primary authors of the papers published. The actual title pages, appearing later with the papers, show the primary author(s) and all co-authors. The papers in all three volumes of the Proceedings appear as they were originally submitted for publication and have not been edited or changed in any way. Topics discussed in Volume 5 include environmental assessments and program strategies, waste treatment technologies, and regulations and compliance studies.

  3. The summary mental examination in criminal proceedings.

    Science.gov (United States)

    Nishio, Chusuke

    2011-01-01

    This article discusses the inception (in 1955) and history of the inclusion of the summary mental examination in criminal proceedings. It then reviews the procedures for diagnosing easily diagnosed cases such as frank psychosis or obvious mental normality. An overview is then provided of the manner in which the reliability of the summary examination can be maintained by deeming those cases where diagnosis can be made without the use of suggestive questions as easily "diagnosed cases" and by avoiding positively diagnosing obvious mental normality. The importance of ensuring that test proceedings in summary examinations do not interfere with formal forensic psychiatric examinations that may be conducted later is then reviewed. These proceedings, through the summary examination, provide material for an expert to state an opinion in court as to the criminal responsibility of the accused suspect.

  4. Differential effects of a complex organochlorine mixture on the proliferation of breast cancer cell lines

    Energy Technology Data Exchange (ETDEWEB)

    Aube, Michel, E-mail: 4aubem@videotron.ca [Axe de recherche en sante des populations et environnementale, Centre de recherche du Centre hospitalier universitaire de Quebec and Universite Laval, 2875 Boulevard Laurier, Edifice Delta 2, bureau 600, Quebec, QC, Canada G1V 2M2 (Canada); Larochelle, Christian, E-mail: christian.larochelle@inspq.qc.ca [Axe de recherche en sante des populations et environnementale, Centre de recherche du Centre hospitalier universitaire de Quebec and Universite Laval, 2875 Boulevard Laurier, Edifice Delta 2, bureau 600, Quebec, QC, Canada G1V 2M2 (Canada); Ayotte, Pierre, E-mail: pierre.ayotte@inspq.qc.ca [Axe de recherche en sante des populations et environnementale, Centre de recherche du Centre hospitalier universitaire de Quebec and Universite Laval, 2875 Boulevard Laurier, Edifice Delta 2, bureau 600, Quebec, QC, Canada G1V 2M2 (Canada); Laboratoire de Toxicologie, Institut national de sante publique du Quebec, 945 avenue Wolfe, Quebec, QC, Canada G1V 5B3 (Canada)

    2011-04-15

    Organochlorine compounds (OCs) are a group of persistent chemicals that accumulate in fatty tissues with age. Although OCs has been tested individually for their capacity to induce breast cancer cell proliferation, few studies examined the effect of complex mixtures that comprise compounds frequently detected in the serum of women. We constituted such an OC mixture containing 15 different components in environmentally relevant proportions and assessed its proliferative effects in four breast cancer cell lines (MCF-7, T47D, CAMA-1, MDAMB231) and in non-cancerous CV-1 cells. We also determined the capacity of the mixture to modulate cell cycle stage of breast cancer cells and to induce estrogenic and antiandrogenic effects using gene reporter assays. We observed that low concentrations of the mixture (100x10{sup 3} and 50x10{sup 3} dilutions) stimulated the proliferation of MCF-7 cells while higher concentrations (10x10{sup 3} and 5x10{sup 3} dilutions) had the opposite effect. In contrast, the mixture inhibited the proliferation of non-hormone-dependent cell lines. The mixture significantly increased the number of MCF-7 cells entering the S phase, an effect that was blocked by the antiestrogen ICI 182,780. Low concentrations of the mixture also caused an increase in CAMA-1 cell proliferation but only in the presence estradiol and dihydrotestosterone (p<0.05 at the 50x10{sup 3} dilution). DDT analogs and polychlorinated biphenyls all had the capacity to stimulate the proliferation of CAMA-1 cells in the presence of sex steroids. Reporter gene assays further revealed that the mixture and several of its constituents (DDT analogs, aldrin, dieldrin, {beta}-hexachlorocyclohexane, toxaphene) induced estrogenic effects, whereas the mixture and several components (DDT analogs, aldrin, dieldrin and PCBs) inhibited the androgen signaling pathway. Our results indicate that the complex OC mixture increases the proliferation of MCF-7 cells due to its estrogenic potential. The

  5. Afrikaner spirituality: A complex mixture

    Directory of Open Access Journals (Sweden)

    Erna Olivier

    2006-10-01

    Full Text Available The article argues that the perception that Afrikaner spirituality is and has always been founded mainly or only upon the Calvinistic tradition is a misconception. Nineteenth century Afrikaner spiritualism consisted of a mixture of theology, philosophy and a way of adapting to extreme living conditions. These factors, although with different contents, are also the determinant issues that made 21st century Afrikaner spirituality such a complex phenomenon. The article postulates that the Afrikaner nation’s current identity crisis can be resolved by closely looking at the different influences on the spirituality of the nation and by carefully guiding the people through the complex set of multiple choices to a fresh relation with Christ in a new found Christian identity to confirm our Christian foundation.

  6. 12. workshop fuzzy systems. Proceedings; 12. Workshop Fuzzy Systeme. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Mikut, R.; Reischl, M. (eds.)

    2002-11-01

    This annual workshop is a forum for discussing new methods and industrial applications in fuzzy logic and related fields like artificial neuronal nets and evolutionary algorithms. The focus is on applications in automation, e.g. in chemical engineering, energy engineering, automobile engineering, robotics and medical engineering. Other areas of interest are, e.g. data mining for technical and non-technical applications. [German] Der jaehrliche Workshop unseres Fachausschusses bietet ein Forum zur Diskussion neuer methodischer Ansaetze und industrieller Anwendungen auf dem Gebiet der Fuzzy-Logik und in angrenzenden Gebieten wie Kuenstlichen Neuronalen Netzen und Evolutionaeren Algorithmen. Besondere Schwerpunkte sind automatisierungstechnische Anwendungen, z.B. in der Verfahrenstechnik, Enegietechnik, Kfz-Technik, Robotik und Medizintechnik, aber auch Loesungen in anderen Problemgebieten (z.B. Data Mining fuer technische und nichttechnische Anwendungen) sind von Interesse. (orig.)

  7. Holographic Superfluidity in Imbalanced Mixtures

    CERN Document Server

    Erdmenger, Johanna; Kerner, Patrick; Ngo, Thanh Hai

    2011-01-01

    We construct superfluid black hole solutions with two chemical potentials. By analogy with QCD, the two chemical potentials correspond to the baryon and isospin symmetries, respectively. We consider two systems: the back-reacted U(2) Einstein-Yang-Mills theory in 4+1 dimensions and the 9+1-dimensional D3/D7 brane setup with two coincident D7-brane probes. In the D7-brane model, the identification of baryon and isospin chemical potential is explicit since the dual field theory is explicitly known. Studying the phase diagram, we find in both systems a quantum phase transition at a critical ratio of the two chemical potentials. However the quantum phase transition is different in the two systems: In the D3/D7 brane setup we always find a second order phase transition, while in the Einstein-Yang-Mills theory, depending on the strength of the back-reaction, we obtain a continuous or first order transition. We expect the continuous quantum phase transition to be BKT-like. We comment on the origin of this differing ...

  8. Toxicity of four antifouling biocides and their mixtures on the brine shrimp Artemia salina.

    Science.gov (United States)

    Koutsaftis, A; Aoyama, I

    2007-11-15

    Zinc pyrithione (ZPT), Copper pyrihione (CPT), Chlorothalonil and Diuron are four of the most widely used as alternative to tributlytin (TBT) antifouling biocides in boat paints. As most previous laboratory bioassays for these biocides have been conducted solely based on acute tests with a single compound, information on the possible combined toxicity of these common biocides to marine organisms are limited. In this study, the toxicity of binary (in several proportions), ternary and quaternary mixtures were evaluated using the brine shrimp Artemia salina as test organism. Mixture toxicities were studied using the concentration addition model (isobolograms and toxic unit summation), and the mixture toxicity index (MTI). The ZPT-CPT combination had a strictly synergistic effect which requires attention because the coexistence of ZPT and CPT in the marine environment, due to transchelation of ZPT, may occur. The binary mixtures of Diuron with the metal pyrithiones exhibited various interactive effects (synergistic, antagonistic or additive) depending on concentration ratios, whereas all binary mixtures that contained Chlorothalonil exhibited antagonistic effects. The different types of combined effects subsequent to proportion variation of binary mixtures underline the importance of the combined toxicity characterization for various ratios of concentrations. The four ternary mixtures tested, also exhibited various interactive effects, and the quaternary mixture exhibited synergism. The models applied were in agreement in most cases. The observed synergistic interactions underline the requirement to review water quality guidelines, which are likely underestimating the adverse combined effects of these chemicals.

  9. Proceedings of submicron multiphase materials

    Energy Technology Data Exchange (ETDEWEB)

    Baney, R.; Gilliom, L.; Hirano, S.I.; Schmidt, H.

    1992-01-01

    This book contains the papers presented at Symposium R of the spring 1992 Materials Research Society meeting held in San Francisco, California. The title of the symposium, Submicron Multiphase Materials, was selected by the organizers to encompass the realm of composite materials from those smaller than conventional fiber matrix composites to those with phase separation dimensions approaching molecular dimensions. The development of composite materials is as old as the development of materials. Humans quickly learned that, by combining materials, the best properties of each can be realized and that, in fact, synergistic effects often arise. For example, chopped straw was used by the Israelites to limit cracking in bricks. The famed Japanese samurai swords were multilayers of hard oxide and tough ductile materials. One also finds in nature examples of composite materials. These range form bone to wood, consisting of a hard phase which provides strength and stiffness and a softer phase for toughness. Advanced composites are generally thought of as those which are based on a high modulus, discontinuous, chopped or woven fiber phase and a continuous polymer phase. In multiphase composites, dimensions can range from meters in materials such as steel rod-reinforced concrete structures to angstroms. In macrophase separated composite materials, properties frequently follow the rule of mixtures with the properties approximating the arithmetic mean of the properties of each individual phase, if there is good coupling between the phases. As the phases become smaller, the surface to volume ratio grows in importance with respect to properties. Interfacial and interphase phenomena being to dominate. Surface free energies play an ever increasing role in controlling properties. In recent years, much research in materials science has been directed at multiphase systems where phase separations are submicron in at least some dimension.

  10. Enantiomer Identification in Chiral Mixtures with Broadband Microwave Spectroscopy

    Science.gov (United States)

    Shubert, V. Alvin; Schmitz, David; Medcraft, Chris; Patterson, David; Doyle, John M.; Schnell, Melanie

    2014-06-01

    In nature and as products of chemical syntheses, chiral molecules often exist in mixtures with other chiral molecules. The analysis of these complex mixtures to identify the components, determine which enantiomers are present, and to measure the enantiomeric excesses (ee) is still one of the challenging but very important tasks of analytical chemistry. These analyses are required at every step of modern drug development, from candidate searches to production and regulation. We present here a new method of identifying individual enantiomers in mixtures of chiral molecules in the gas phase. It is based on broadband rotational spectroscopy and employs a sum or difference frequency generation three-wave mixing process that involves a closed cycle of three rotational transitions. The phase of the acquired signal bares the signature of the enantiomer (see figure), as it depends upon the combined quantity, μaμbμc, which is of opposite sign between members of an enantiomeric pair. Furthermore, because the signal amplitude is proportional to the ee, this technique allows for both determining which enantiomer is in excess and by how much. The high resolution of our technique allows us to perform molecule specific measurements of mixtures of chiral molecules with μaμbμc ≠ 0, even when the molecules are very similar (e.g. conformational isomers). We introduce the technique and present results on the analysis of mixtures of the terpenes, carvone, menthone, and carvomenthenol. D. Patterson, M. Schnell, J. M. Doyle, Nature. 497, 475-477, 2013 V. A. Shubert, D. Schmitz, D. Patterson, J. M. Doyle, M. Schnell, Ang. Chem. Int. Ed. 53, 1152-1155,2014

  11. Linking in Vitro Effects and Detected Organic Micropollutants in Surface Water Using Mixture-Toxicity Modeling.

    Science.gov (United States)

    Neale, Peta A; Ait-Aissa, Selim; Brack, Werner; Creusot, Nicolas; Denison, Michael S; Deutschmann, Björn; Hilscherová, Klára; Hollert, Henner; Krauss, Martin; Novák, Jiří; Schulze, Tobias; Seiler, Thomas-Benjamin; Serra, Helene; Shao, Ying; Escher, Beate I

    2015-12-15

    Surface water can contain countless organic micropollutants, and targeted chemical analysis alone may only detect a small fraction of the chemicals present. Consequently, bioanalytical tools can be applied complementary to chemical analysis to detect the effects of complex chemical mixtures. In this study, bioassays indicative of activation of the aryl hydrocarbon receptor (AhR), activation of the pregnane X receptor (PXR), activation of the estrogen receptor (ER), adaptive stress responses to oxidative stress (Nrf2), genotoxicity (p53) and inflammation (NF-κB) and the fish embryo toxicity test were applied along with chemical analysis to water extracts from the Danube River. Mixture-toxicity modeling was applied to determine the contribution of detected chemicals to the biological effect. Effect concentrations for between 0 to 13 detected chemicals could be found in the literature for the different bioassays. Detected chemicals explained less than 0.2% of the biological effect in the PXR activation, adaptive stress response, and fish embryo toxicity assays, while five chemicals explained up to 80% of ER activation, and three chemicals explained up to 71% of AhR activation. This study highlights the importance of fingerprinting the effects of detected chemicals.

  12. RHIC spin physics: Proceedings. Volume 7

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-01

    This proceedings compiles one-page summaries and five transparencies for each talk, with the intention that the speaker should include a web location for additional information in the summary. Also, email addresses are given with the participant list. The order follows the agenda: gluon, polarimetry, accelerator, W production and quark/antiquark polarization, parity violation searches, transversity, single transverse spin, small angle elastic scattering, and the final talk on ep collisions at RHIC. The authors begin the Proceedings with the full set of transparencies from Bob Jaffe`s colloquium on spin, by popular request.

  13. Proceedings of the KNS 2015 Fall Meeting

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2015-10-15

    This proceedings contains articles of 2015 fall meeting of the Korean Nuclear Society. It was held on October 28-30 in Kyungju, Korea. This proceedings is comprised of 11 sessions. The main subject titles of session are as follows: Reactor system technology, Reactor physics and computational science, Radioactive waste management, Nuclear fuel and materials, Thermal hydraulics and safety, Radiation utilization and protection, Quantum engineering and nuclear fusion, Nuclear power plant construction and operation technology, Nuclear policy, human resources and cooperation, Nuclear I and C and automatic remote systems, Competition Session. (Yi, J. H.)

  14. Managing bond proceeds improves financial performance.

    Science.gov (United States)

    Mates, W J

    1989-04-01

    Healthcare organizations must actively manage tax-exempt bond proceeds after they are initially invested at the time of financing or refinancing. The Tax Reform Act of 1986 imposes serious penalties on issuers who fail to comply with its complex requirements. An active program of bond proceeds management enables organizations to avoid this pitfall and take advantage of legal investment opportunities. Such a program must start with a set of clear guidelines on permitted investments, target rates of return, acceptable levels of risk, and liquidity requirements.

  15. A numerical analysis of the effects of a stratified pre-mixture on homogeneous charge compression ignition combustion

    Energy Technology Data Exchange (ETDEWEB)

    Jamsran, Narankhuu; Lim, Ock Taeck [University of Ulsan, Ulsan (Korea, Republic of)

    2012-06-15

    We investigated the efficacy of fuel stratification in a pre-mixture of dimethyl ether (DME) and n-butane, which have different autoignition characteristics, for reducing the pressure rise rate (PRR) of homogeneous charge compression ignition engines. A new chemical reaction model was created by mixing DME and n-butane and compared with existing chemical reaction models to verify the effects observed. The maximum PRR depended on the mixture ratio. When DME was charged with stratification and n-butane was charged with homogeneity, the maximum PRR was the lowest among all the mixtures studied. Calculations were performed using CHEMKIN and modified using SENKIN software.

  16. Desempenho da mistura forrageira de aveia-preta mais azevém e atributos químicos do solo em função da aplicação de esterco líquido de suínos Performance of at and italian rye-grass mixture and soil chemical attributes as related to liquid swine manure application

    Directory of Open Access Journals (Sweden)

    Tangriani Simioni Assmann

    2007-12-01

    Full Text Available A produção de matéria seca de pastagens anuais de inverno normalmente é baixa em virtude da limitação de nutrientes disponíveis no solo, a qual pode ser corrigida com o uso de esterco líquido de suínos (ELS. Realizou-se um experimento, de maio a novembro de 2003, visando avaliar a eficiência do esterco líquido de suínos sobre a produção de matéria seca e N-cobertura vegetal da mistura de aveia e azevém, bem como sobre alguns atributos químicos de um Latossolo Vermelho distroférrico, nas camadas de 0-5, 5-10 e 10-20 cm. O delineamento experimental foi o de blocos ao acaso, com quatro repetições, sendo constituído por quatro tratamentos, 0, 20, 40 e 80 m³ ha-1 de ELS, aplicados aos 48 e aos 116 dias após emergência das culturas. A aplicação de 80 m³ ha-1 resultou em aumento de 34 % de matéria seca acumulada em relação à testemunha. À medida que as doses de ELS foram aplicadas, houve aumento dos teores de N mineral apenas na camada de solo de 0-5 cm de profundidade. A aplicação de ELS influenciou o aumento dos teores de K no solo apenas na camada de 0-5 cm de profundidade e provocou aumento no pH e diminuição do Al3+ trocável até 20 cm de profundidade. Houve aumento na quantidade de N na cobertura vegetal conforme as doses de ELS aplicadas, com acréscimo de 0,09 mg dm-3 para cada m³ de ELS aplicado.Dry matter production of winter annual pastures is usually low due to the limited soil nutrient availability, which can be amended by the use of liquid swine manure (LSM. This experiment, carried out from May to November 2003, aimed to evaluate the efficiency of LSM in the production and accumulation of dry matter, and N-leaf concentration of an oat/Italian rye grass mixture, as well as the effect on some chemical attributes of an Oxisol in the soil layers 0-5, 5-10 and 10-20 cm soil layers. The experiment was arranged in a complete randomized block design with four replications. The treatments were four LSM doses

  17. 29 CFR 501.36 - Caption of proceeding.

    Science.gov (United States)

    2010-07-01

    ... IMMIGRATION AND NATIONALITY ACT Administrative Proceedings Rules of Practice § 501.36 Caption of proceeding... Administrator shall be identified as plaintiff and the person requesting such hearing shall be named...

  18. 76 FR 70902 - Termination of Certain Proceedings as Dormant

    Science.gov (United States)

    2011-11-16

    ... COMMISSION 47 CFR Part 0 Termination of Certain Proceedings as Dormant AGENCY: Federal Communications... the Consumer and Governmental Affairs Bureau (CGB), terminates, as dormant, certain docketed... INFORMATION: This is a synopsis of the Commission's Order, Termination of Certain Proceedings as...

  19. 77 FR 60934 - Termination of Certain Proceedings as Dormant

    Science.gov (United States)

    2012-10-05

    ... COMMISSION 47 CFR Part 0 Termination of Certain Proceedings as Dormant AGENCY: Federal Communications... the Consumer and Governmental Affairs Bureau (CGB) terminates, as dormant, certain docketed Commission... the Commission's Order, Termination of Certain Proceedings as Dormant, document DA 12- 1545,...

  20. Computing Science - Proceedings of the 7th OVERTURE Workshop

    DEFF Research Database (Denmark)

    This report contains the proceedings of the 7th OVERTURE workshop, held in Eindhoven on 2nd November 2009.......This report contains the proceedings of the 7th OVERTURE workshop, held in Eindhoven on 2nd November 2009....

  1. Proceedings of the XI international Rubus and Ribes symposium

    Science.gov (United States)

    This proceedings book summarizes the latest internationial research concerning Rubus, Ribes and their wild relatives. This proceedings includes 82 scientific reports from international scientists concerning the genetics and germplasm, pests and diseases, physiology and production systems, post harve...

  2. Diversification in toxicology: man and environment. EUROTOX proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Seiler, J.P. [Intercantonal Office for the Control of Medicines (IOCM), Bern (Switzerland); Autrup, J.L.; Autrup, H. [eds.] [Aarhus Univ. (Denmark). Steno Inst. of Public Health

    1998-12-31

    This volume contains the main papers presented at the 1997 EUROTOX Congress, Aaarhus, Denmark, 24-28 June 1997. Diversification in toxicology is not seen as splitting into subfields, but as the application of basic science to such diverse areas as man and his environment. The pressing issues which have been dealt with not only include reproductive effects of environmental chemicals (`xenoestrogens`), but also receptor-mediated toxic responses, new frontiers in human and ecological toxicology, chemoprevention of cancer and molecular approaches in toxicological research. The practical and ethical facets of toxicology, e.g. ecotoxicological risk assessment, biomarkers of exposure, complex chemical mixtures as well as animal welfare and the ethics of animal experimentation, are also treated. (orig.)

  3. Shear viscosity of liquid mixtures Mass dependence

    CERN Document Server

    Kaushal, R

    2002-01-01

    Expressions for zeroth, second, and fourth sum rules of transverse stress autocorrelation function of two component fluid have been derived. These sum rules and Mori's memory function formalism have been used to study shear viscosity of Ar-Kr and isotopic mixtures. It has been found that theoretical result is in good agreement with the computer simulation result for the Ar-Kr mixture. The mass dependence of shear viscosity for different mole fraction shows that deviation from ideal linear model comes even from mass difference in two species of fluid mixture. At higher mass ratio shear viscosity of mixture is not explained by any of the emperical model.

  4. VALDOR 2003. Values in Decisions on Risk. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Kjell (ed.) [Karinta-Konsult, Taeby (Sweden)

    2003-10-01

    Many decisions that may have an impact on human health and the environment are often controversial and are made in value-laden and emotionally charged circumstances. The decision-making context is not only determined by the factual basis provided by the experts, but also by stakeholder pressure groups, extensive media coverage and the value systems of the experts themselves. Value judgements are often embedded in the technical assessments much more than usually appreciated. Risk assessment gives good opportunities to analyse and discuss these problems. It attracts great attention in modern society and requires contributions from a intricate mixture of technical risk assessment, sociology, ethics and political science. This complexity leads to high demands on transparency in order to arrive at high quality decisions, as well as requirements on public insight and participation. This symposium addressed the role of experts, media and and regulators in complex decisions, as well as procedures that can enhance transparency. Special focus was given to biotechnology and nuclear waste management. The problems of risk communication in these areas such as a high degree of complexity, fragmentation in debates, mixing facts and values, mistrust in experts, etc are shared with many other fields. The proceedings comprise 63 contributions, 50 of which have been separately indexed.

  5. Single and mixture toxicity of pharmaceuticals and chlorophenols to freshwater algae Chlorella vulgaris.

    Science.gov (United States)

    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 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.

  6. Vitellogenin induction by a mixture of steroidal estrogens in freshwater fishes and relevant risk assessment.

    Science.gov (United States)

    Zhang, Hui; Kong, Fan-Xiang; Wang, Shi-He; Yu, Yang; Zhang, Min

    2009-10-01

    The study method on combined effects of environmental contaminant mixture and ecological risk assessment was discussed. Batch tests were conducted to assess the in vivo potency of binary mixtures of estrogens using plasma vitellogenin concentrations in male crucian carp as the endpoint. The estrogenic potencies of 17beta-estradiol (E(2)) and 17alpha-ethynylestradiol (EE(2)) were determined following 14 day exposure to the individual chemicals and equipotent binary mixtures. A Nonlinear regression was obtained and 95% confidence limits of effect concentration were achieved using the bootstrap method. Concentration-response curve for fixed ratio binary mixtures of E(2) and EE(2) was compared with those for individual chemicals, using the biomathematical models of concentration addition (CA) and independent action (IA). A complete overlap was found for the CA predictions with the 95% confidence interval of the best-fit regression line of the observed responses, and the IA predictions was shown lower than the observations. The observed mixture effects were considerably higher than those of the hormone alone and far exceeded the 95% confidence interval of the estrogen regression lines. The predicted effects of binary mixtures at different mixture ratios indicated that the potential impact of components on mixture would depend predominantly on its concentration, the mixture ratio and its relative potency. Results suggested that E(2) and EE(2) acted together in an additive manner and the combined effects can be accurately predicted in whole range of exposure concentration by the models of CA and IA, the model of CA might be realistic, but more useful for ecological risk assessment.

  7. Simulation of mixture microstructures via particle packing models and their direct comparison with real mixtures

    Science.gov (United States)

    Gulliver, Eric A.

    The objective of this thesis to identify and develop techniques providing direct comparison between simulated and real packed particle mixture microstructures containing submicron-sized particles. This entailed devising techniques for simulating powder mixtures, producing real mixtures with known powder characteristics, sectioning real mixtures, interrogating mixture cross-sections, evaluating and quantifying the mixture interrogation process and for comparing interrogation results between mixtures. A drop and roll-type particle-packing model was used to generate simulations of random mixtures. The simulated mixtures were then evaluated to establish that they were not segregated and free from gross defects. A powder processing protocol was established to provide real mixtures for direct comparison and for use in evaluating the simulation. The powder processing protocol was designed to minimize differences between measured particle size distributions and the particle size distributions in the mixture. A sectioning technique was developed that was capable of producing distortion free cross-sections of fine scale particulate mixtures. Tessellation analysis was used to interrogate mixture cross sections and statistical quality control charts were used to evaluate different types of tessellation analysis and to establish the importance of differences between simulated and real mixtures. The particle-packing program generated crescent shaped pores below large particles but realistic looking mixture microstructures otherwise. Focused ion beam milling was the only technique capable of sectioning particle compacts in a manner suitable for stereological analysis. Johnson-Mehl and Voronoi tessellation of the same cross-sections produced tessellation tiles with different the-area populations. Control charts analysis showed Johnson-Mehl tessellation measurements are superior to Voronoi tessellation measurements for detecting variations in mixture microstructure, such as altered

  8. Thermodynamics of mixtures containing amines

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Juan Antonio [G.E.T.E.F. Dpto Termodinamica y Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, Valladolid 47071 (Spain)], E-mail: jagl@termo.uva.es; Mozo, Ismael; Garcia de la Fuente, Isaias; Cobos, Jose Carlos [G.E.T.E.F. Dpto Termodinamica y Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, Valladolid 47071 (Spain); Riesco, Nicolas [Department of Chemical Engineering, Loughborough University, Loughborough, LE113TU Leicestershire (United Kingdom)

    2008-01-30

    Mixtures with dimethyl or trimethylpyridines and alkane, aromatic compound or 1-alkanol have been examined using different theories: DISQUAC, Flory, the concentration-concentration structure factor, S{sub CC}(0), or the Kirkwood-Buff formalism. DISQUAC represents fairly well the available experimental data, and improves theoretical calculations from Dortmund UNIFAC. Two important effects have been investigated: (i) the effect of increasing the number of methyl groups attached to the aromatic ring of the amine; (ii) the effect of modifying the position of the methyl groups in this ring. The molar excess enthalpy, H{sup E}, and the molar excess volume, V{sup E}, decrease in systems with alkane or methanol as follows: pyridine > 3-methylpyridine > 3,5-dimethylpyridine and pyridine > 2-methylpyridine > 2,4-dimethylpyridine > 2,4,6-trimethylpyridine, which has been attributed to a weakening of the amine-amine interactions in the same sequences. This is in agreement with the relative variation of the effective dipole moment, {mu}-bar, and of the differences between the boiling temperature of a pyridine base and that of the homomorphic alkane. For heptane solutions, the observed H{sup E} variation, H{sup E} (3,5-dimethylpyridine) > H{sup E} (2,4-dimethylpyridine) > H{sup E} (2,6-dimethylpyridine), is explained similarly. Calculations on the basis of the Flory model confirm that orientational effects become weaker in systems with alkane in the order: pyridine > methylpyridine > dimethylpyridine > trimethylpyridine. S{sub CC}(0) calculations show that steric effects increase with the number of CH{sub 3}- groups in the pyridine base, and that the steric effects exerted by methyl groups in positions 2 and 6 are higher than when they are placed in positions 3 and 5. The hydrogen bond energy in methanol mixtures is independent of the pyridine base, and it is estimated to be -35.2 kJ mol{sup -1}. Heterocoordination in these solutions is due in part to size effects. Their

  9. 40 CFR 799.5085 - Chemical testing requirements for certain high production volume chemicals.

    Science.gov (United States)

    2010-07-01

    ... (preferred species), rat, or Chinese hamster): 40 CFR 799.9538 OR Mammalian Erythrocyte Micronucleus Test (in... CHEMICAL SUBSTANCE AND MIXTURE TESTING REQUIREMENTS Multichemical Test Rules § 799.5085 Chemical testing... paragraph (j) of this section at any time from April 17, 2006 to the end of the test data...

  10. Fourteenth workshop geothermal reservoir engineering: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Ramey, H.J. Jr.; Kruger, P.; Horne, R.N.; Miller, F.G.; Brigham, W.E.; Cook, J.W.

    1989-12-31

    The Fourteenth Workshop on Geothermal Reservoir Engineering was held at Stanford University on January 24--26, 1989. Major areas of discussion include: (1) well testing; (2) various field results; (3) geoscience; (4) geochemistry; (5) reinjection; (6) hot dry rock; and (7) numerical modelling. For these workshop proceedings, individual papers are processed separately for the Energy Data Base.

  11. 5 CFR 2430.11 - Further proceedings.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Further proceedings. 2430.11 Section 2430.11 Administrative Personnel FEDERAL LABOR RELATIONS AUTHORITY, GENERAL COUNSEL OF THE FEDERAL LABOR... scheduling oral argument, additional written submissions, or an evidentiary hearing, shall specify the...

  12. 75 FR 5003 - Unfair Labor Practice Proceedings

    Science.gov (United States)

    2010-02-01

    ... regulations regarding unfair labor practice (ULP) proceedings (Part 2423, subpart A). In keeping with the... establish the OGC's leadership role in providing guidance on Alternative Dispute Resolution (ADR) techniques... objectives of EO 13522. With renewed attention to customer service, the OGC will use its expertise to...

  13. Hawking radiation conference, book of proceedings

    CERN Document Server

    Mersini-Houghton, Laura

    2016-01-01

    Proceedings of the 'Hawking Radiation' conference in Stockholm, Sweden 2015. It includes a link to the video recording of the conference and all the talks, discussions, and communications, that took place during the week of the conference . We hope the recorded discussions will be helpful, especially to the current and future young researchers and students.

  14. Proceedings 8th Interaction and Concurrency Experience

    DEFF Research Database (Denmark)

    2015-01-01

    This volume contains the proceedings of ICE 2015, the 8th Interaction and Concurrency Experience, which was held in Grenoble, France on the 4th and 5th of June 2015 as a satellite event of DisCoTec 2015. The ICE procedure for paper selection allows PC members to interact, anonymously, with author...

  15. Umbilical Hernia Repair with Proceed Ventral Patch

    Directory of Open Access Journals (Sweden)

    Salati Sajad Ahmad

    2014-07-01

    Full Text Available Umbilical hernia is one the commonest surgical lesions and there is a variety of methods available for its repair. Proceed Ventral Patch is a recent and novel innovation in hernia management and we present a successful management of umbilical hernia in a 45 years old obese patient with this technique

  16. Sharing the proceeds from a hierarchical venture

    DEFF Research Database (Denmark)

    Hougaard, Jens Leth; Moreno-Ternero, Juan D.; Tvede, Mich;

    2017-01-01

    We consider the problem of distributing the proceeds generated from a joint venture in which the participating agents are hierarchically organized. We introduce and characterize a family of allocation rules where revenue ‘bubbles up’ in the hierarchy. The family is flexible enough to accommodate...

  17. Procedural Justice in Dutch Administrative Law Proceedings

    NARCIS (Netherlands)

    Verburg, André; Schueler, Ben

    2014-01-01

    In this paper we discuss recent developments in administrative court proceedings in the Netherlands, called the New Approach. Along with developments leading to the New Approach, it became clear that the insights from research on procedural justice deserve particular attention. The goals of the judg

  18. Fourteenth workshop geothermal reservoir engineering: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Ramey, H.J. Jr.; Kruger, P.; Horne, R.N.; Miller, F.G.; Brigham, W.E.; Cook, J.W.

    1989-01-01

    The Fourteenth Workshop on Geothermal Reservoir Engineering was held at Stanford University on January 24--26, 1989. Major areas of discussion include: (1) well testing; (2) various field results; (3) geoscience; (4) geochemistry; (5) reinjection; (6) hot dry rock; and (7) numerical modelling. For these workshop proceedings, individual papers are processed separately for the Energy Data Base.

  19. International Energy and Environmental Congress: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    1993-09-01

    This document contains information presented at the International Energy and Environmental Congress `93 proceedings. Symposiums included demand-side management strategic directions; federal energy management; corporate energy management; and pollution control technologies. Individual reports from the symposiums are processed separately for the data bases.

  20. Light Meson Dynamics Workshop. Mini proceedings

    CERN Document Server

    Bijnens, J; Fang, S; Giovannella, S; Gradl, W; Hanhart, C; Leupold, B Kubis S; Lutz, M F M; Masjuan, P; Moussallam, B; Nieser, A; Oset, E; Ostrick, M; Pelaez, J R; Scherer, S; Švarc, A; Unverzagt, M; Wanke, R; Wolke, M

    2014-01-01

    The mini-proceedings of the Light Meson Dynamics Workshop held in Mainz from February 10th to 12th, 2014, are presented. The web page of the conference, which contains all talks, can be found at https://indico.cern.ch/event/287442/overview .