WorldWideScience

Sample records for self-replicating chemical system

  1. Physically Embedded Minimal Self-Replicating Systems

    DEFF Research Database (Denmark)

    Fellermann, Harold

    Self-replication is a fundamental property of all living organisms, yet has only been accomplished to limited extend in manmade systems. This thesis is part of the ongoing research endeavor to bridge the two sides of this gap. In particular, we present simulation results of a minimal life...... for any model above the atomistic scale. This is achieved by deriving an alternative scaling procedure for interaction parameters in the model. We perform system-level simulations of the design which attempt to account for theoretical, and experimental knowledge, as well as results from other...

  2. A theory for the origin of a self-replicating chemical system. I - Natural selection of the autogen from short, random oligomers

    Science.gov (United States)

    White, D. H.

    1980-01-01

    A general theory is presented for the origin of a self-replicating chemical system, termed an autogen, which is capable of both crude replication and translation (protein synthesis). The theory requires the availability of free energy and monomers to the system, a significant background low-yield synthesis of kinetically stable oligopeptides and oligonucleotides, the localization of the oligomers, crude oligonucleotide selectivity of amino acids during oligopeptide synthesis, crude oligonucleotide replication, and two short peptide families which catalyze replication and translation, to produce a localized group of at least one copy each of two protogenes and two protoenzymes. The model posits a process of random oligomerization, followed by the random nucleation of functional components and the rapid autocatalytic growth of the functioning autogen to macroscopic amounts, to account for the origin of the first self-replicating system. Such a process contains steps of such high probability and short time periods that it is suggested that the emergence of an autogen in a laboratory experiment of reasonable time scale may be possible.

  3. Spatiotemporal chaos of self-replicating spots in reaction-diffusion systems.

    Science.gov (United States)

    Wang, Hongli; Ouyang, Qi

    2007-11-23

    The statistical properties of self-replicating spots in the reaction-diffusion Gray-Scott model are analyzed. In the chaotic regime of the system, the spots that dominate the spatiotemporal chaos grow and divide in two or decay into the background randomly and continuously. The rates at which the spots are created and decay are observed to be linearly dependent on the number of spots in the system. We derive a probabilistic description of the spot dynamics based on the statistical independence of spots and thus propose a characterization of the spatiotemporal chaos dominated by replicating spots.

  4. Development of a self-replicating plasmid system for Mycoplasma hyopneumoniae.

    Science.gov (United States)

    Maglennon, Gareth A; Cook, Beth S; Matthews, Dominic; Deeney, Alannah S; Bossé, Janine T; Langford, Paul R; Maskell, Duncan J; Tucker, Alexander W; Wren, Brendan W; Rycroft, Andrew N

    2013-07-29

    Mycoplasma hyopneumoniae is a prevalent swine respiratory pathogen that is a major cause of economic loss to pig producers. Control is achieved by a combination of antimicrobials, vaccination and management practices, but current vaccines offer only partial control and there is a need for improved preventative strategies. A major barrier to advances in understanding the pathogenesis of M. hyopneumoniae and in developing new vaccines is the lack of tools to genetically manipulate the organism. We describe the development and optimisation of the first successful plasmid-based system for the genetic manipulation of M. hyopneumoniae. Our artificial plasmids contain the origin of replication (oriC) of M. hyopneumoniae along with tetM, conferring resistance to tetracycline. With these plasmids, we have successfully transformed M. hyopneumoniae strain 232 by electroporation, generating tetracycline resistant organisms. The persistence of extrachromosomal plasmid and maintenance of plasmid DNA over serial passages shows that these artificial plasmids are capable of self-replication in M. hyopneumoniae. In addition to demonstrating the amenability of M. hyopneumoniae to genetic manipulation and in optimising the conditions necessary for successful transformation, we have used this system to determine the minimum functional oriC of M. hyopneumoniae. In doing so, we have developed a plasmid with a small oriC that is stably maintained over multiple passages that may be useful in generating targeted gene disruptions. In conclusion, we have generated a set of plasmids that will be valuable in studies of M. hyopneumoniae pathogenesis and provide a major step forward in the study of this important swine pathogen.

  5. Temporal organization of cellular self-replication

    Science.gov (United States)

    Alexandrov, Victor; Pugatch, Rami

    Recent experiments demonstrate that single cells grow exponentially in time. A coarse grained model of cellular self-replication is presented based on a novel concept - the cell is viewed as a self-replicating queue. This allows to have a more fundamental look into various temporal organizations and, importantly, the inherent non-Markovianity of noise distributions. As an example, the distribution of doubling times can be inferred and compared to single cell experiments in bacteria. We observe data collapse upon scaling by the average doubling time for different environments and present an inherent task allocation trade-off. Support from the Simons Center for Systems Biology, IAS, Princeon.

  6. Effector-Triggered Self-Replication in Coupled Subsystems.

    Science.gov (United States)

    Komáromy, Dávid; Tezcan, Meniz; Schaeffer, Gaël; Marić, Ivana; Otto, Sijbren

    2017-11-13

    In living systems processes like genome duplication and cell division are carefully synchronized through subsystem coupling. If we are to create life de novo, similar control over essential processes such as self-replication need to be developed. Here we report that coupling two dynamic combinatorial subsystems, featuring two separate building blocks, enables effector-mediated control over self-replication. The subsystem based on the first building block shows only self-replication, whereas that based on the second one is solely responsive toward a specific external effector molecule. Mixing the subsystems arrests replication until the effector molecule is added, resulting in the formation of a host-effector complex and the liberation of the building block that subsequently engages in self-replication. The onset, rate and extent of self-replication is controlled by the amount of effector present. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Amplification of Chirality through Self-Replication of Micellar Aggregates in Water

    KAUST Repository

    Bukhriakov, Konstantin

    2015-03-17

    We describe a system in which the self-replication of micellar aggregates results in a spontaneous amplification of chirality in the reaction products. In this system, amphiphiles are synthesized from two "clickable" fragments: a water-soluble "head" and a hydrophobic "tail". Under biphasic conditions, the reaction is autocatalytic, as aggregates facilitate the transfer of hydrophobic molecules to the aqueous phase. When chiral, partially enantioenriched surfactant heads are used, a strong nonlinear induction of chirality in the reaction products is observed. Preseeding the reaction mixture with an amphiphile of one chirality results in the amplification of this product and therefore information transfer between generations of self-replicating aggregates. Because our amphiphiles are capable of catalysis, information transfer, and self-assembly into bounded structures, they present a plausible model for prenucleic acid "lipid world" entities. © 2015 American Chemical Society.

  8. Effector-Triggered Self-Replication in Coupled Subsystems

    NARCIS (Netherlands)

    Komáromy, Dávid; Tezcan, Meniz; Schaeffer, Gaël; Marić, Ivana; Otto, Sijbren

    2017-01-01

    In living systems processes like genome duplication and cell division are carefully synchronized through subsystem coupling. If we are to create life de novo, similar control over essential processes such as self-replication need to be developed. Here we report that coupling two dynamic

  9. Amplification of Chirality through Self-Replication of Micellar Aggregates in Water

    KAUST Repository

    Bukhriakov, Konstantin; Almahdali, Sarah; Rodionov, Valentin

    2015-01-01

    We describe a system in which the self-replication of micellar aggregates results in a spontaneous amplification of chirality in the reaction products. In this system, amphiphiles are synthesized from two "clickable" fragments: a water-soluble "head

  10. Reliable self-replicating machines in asynchronous cellular automata.

    Science.gov (United States)

    Lee, Jia; Adachi, Susumu; Peper, Ferdinand

    2007-01-01

    We propose a self-replicating machine that is embedded in a two-dimensional asynchronous cellular automaton with von Neumann neighborhood. The machine dynamically encodes its shape into description signals, and despite the randomness of cell updating, it is able to successfully construct copies of itself according to the description signals. Self-replication on asynchronously updated cellular automata may find application in nanocomputers, where reconfigurability is an essential property, since it allows avoidance of defective parts and simplifies programming of such computers.

  11. Chaotic interactions of self-replicating RNA.

    Science.gov (United States)

    Forst, C V

    1996-03-01

    A general system of high-order differential equations describing complex dynamics of replicating biomolecules is given. Symmetry relations and coordinate transformations of general replication systems leading to topologically equivalent systems are derived. Three chaotic attractors observed in Lotka-Volterra equations of dimension n = 3 are shown to represent three cross-sections of one and the same chaotic regime. Also a fractal torus in a generalized three-dimensional Lotka-Volterra Model has been linked to one of the chaotic attractors. The strange attractors are studied in the equivalent four-dimensional catalytic replicator network. The fractal torus has been examined in adapted Lotka-Volterra equations. Analytic expressions are derived for the Lyapunov exponents of the flow in the replicator system. Lyapunov spectra for different pathways into chaos has been calculated. In the generalized Lotka-Volterra system a second inner rest point--coexisting with (quasi)-periodic orbits--can be observed; with an abundance of different bifurcations. Pathways from chaotic tori, via quasi-periodic tori, via limit cycles, via multi-periodic orbits--emerging out of periodic doubling bifurcations--to "simple" chaotic attractors can be found.

  12. The Interstellar Ethics of Self-Replicating Probes

    Science.gov (United States)

    Cooper, K.

    Robotic spacecraft have been our primary means of exploring the Universe for over 50 years. Should interstellar travel become reality it seems unlikely that humankind will stop using robotic probes. These probes will be able to replicate themselves ad infinitum by extracting raw materials from the space resources around them and reconfiguring them into replicas of themselves, using technology such as 3D printing. This will create a colonising wave of probes across the Galaxy. However, such probes could have negative as well as positive consequences and it is incumbent upon us to factor self-replicating probes into our interstellar philosophies and to take responsibility for their actions.

  13. Self-Replication of Localized Vegetation Patches in Scarce Environments

    Science.gov (United States)

    Bordeu, Ignacio; Clerc, Marcel G.; Couteron, Piere; Lefever, René; Tlidi, Mustapha

    2016-09-01

    Desertification due to climate change and increasing drought periods is a worldwide problem for both ecology and economy. Our ability to understand how vegetation manages to survive and propagate through arid and semiarid ecosystems may be useful in the development of future strategies to prevent desertification, preserve flora—and fauna within—or even make use of scarce resources soils. In this paper, we study a robust phenomena observed in semi-arid ecosystems, by which localized vegetation patches split in a process called self-replication. Localized patches of vegetation are visible in nature at various spatial scales. Even though they have been described in literature, their growth mechanisms remain largely unexplored. Here, we develop an innovative statistical analysis based on real field observations to show that patches may exhibit deformation and splitting. This growth mechanism is opposite to the desertification since it allows to repopulate territories devoid of vegetation. We investigate these aspects by characterizing quantitatively, with a simple mathematical model, a new class of instabilities that lead to the self-replication phenomenon observed.

  14. Exponential growth and selection in self-replicating materials from DNA origami rafts

    Science.gov (United States)

    He, Xiaojin; Sha, Ruojie; Zhuo, Rebecca; Mi, Yongli; Chaikin, Paul M.; Seeman, Nadrian C.

    2017-10-01

    Self-replication and evolution under selective pressure are inherent phenomena in life, and but few artificial systems exhibit these phenomena. We have designed a system of DNA origami rafts that exponentially replicates a seed pattern, doubling the copies in each diurnal-like cycle of temperature and ultraviolet illumination, producing more than 7 million copies in 24 cycles. We demonstrate environmental selection in growing populations by incorporating pH-sensitive binding in two subpopulations. In one species, pH-sensitive triplex DNA bonds enable parent-daughter templating, while in the second species, triplex binding inhibits the formation of duplex DNA templating. At pH 5.3, the replication rate of species I is ~1.3-1.4 times faster than that of species II. At pH 7.8, the replication rates are reversed. When mixed together in the same vial, the progeny of species I replicate preferentially at pH 7.8 similarly at pH 5.3, the progeny of species II take over the system. This addressable selectivity should be adaptable to the selection and evolution of multi-component self-replicating materials in the nanoscopic-to-microscopic size range.

  15. Error threshold ghosts in a simple hypercycle with error prone self-replication

    International Nuclear Information System (INIS)

    Sardanyes, Josep

    2008-01-01

    A delayed transition because of mutation processes is shown to happen in a simple hypercycle composed by two indistinguishable molecular species with error prone self-replication. The appearance of a ghost near the hypercycle error threshold causes a delay in the extinction and thus in the loss of information of the mutually catalytic replicators, in a kind of information memory. The extinction time, τ, scales near bifurcation threshold according to the universal square-root scaling law i.e. τ ∼ (Q hc - Q) -1/2 , typical of dynamical systems close to a saddle-node bifurcation. Here, Q hc represents the bifurcation point named hypercycle error threshold, involved in the change among the asymptotic stability phase and the so-called Random Replication State (RRS) of the hypercycle; and the parameter Q is the replication quality factor. The ghost involves a longer transient towards extinction once the saddle-node bifurcation has occurred, being extremely long near the bifurcation threshold. The role of this dynamical effect is expected to be relevant in fluctuating environments. Such a phenomenon should also be found in larger hypercycles when considering the hypercycle species in competition with their error tail. The implications of the ghost in the survival and evolution of error prone self-replicating molecules with hypercyclic organization are discussed

  16. The Chemistry of Early Self-Replicating Systems

    Science.gov (United States)

    Bada, Jeffrey L.

    1996-01-01

    The NASA Specialized Center of Research and Training (NSCORT) in Exobiology is a consortium of scientists at the University of California at San Diego (UCSD), The Salk Institute for Biological Studies (Salk) and The Scripps Research Institute (TSRI). All three institutions are located in close geographical proximity in La Jolla, California. The NSCORT/Exobiology is administered through the Scripps Institution of Oceanography. Since its inception in January 1992, the NSCORT in Exobiology has made major contributions with respect to the question of how life began on Earth. The Principal Investigators (PIs) and their associated Fellows have published numerous articles in peer reviewed journals on topics relevant to Exobiology. They have presented papers and sponsored symposia at several meetings of national and international scientific societies. A total of 30 undergraduate, 12 graduate and 15 postdoctoral Fellows have been supported by the NSCORT. The Fellows have met on their own at least once a month to discuss Exobiology topics and research progress. The NSCORT has arranged seminars and evening discussion meetings, and offered an undergraduate class on "Biochemical Evolution" as well as graduate courses dealing with topics in Exobiology. A visiting scientist program has allowed 11 scientists from the U.S. and 4 foreign countries to conduct cooperative research with the various PIs. An active outreach program has been initiated, which includes an Exobiology high school level teaching module and curriculum guide, and an elementary school level booklet about basic atomic structure and formation of the universe, Sun and Earth. A World Wide Web Homepage (http://www-chem.ucsd.edu/-nscort/ NSCORT.html) has been developed, which describes the NSCORT activities, research programs and Fellowship opportunities. The various activities of the NSCORT in Exobiology have received wide-spread coverage in both the scientific and public media. The major function of the NSCORT is the training of young scientists in the field of Exo- biology. Thus, the bulk of the $1,000,000 annual budget is used to support the research and training of undergraduate, graduate and post-doctoral Fellows who are selected on a competitive basis. About five Fellows at each level are supported each year. Our goal is to train scientists whose major research interest is Exobiology, but whose mastery in the classical fields of chemistry, biology and earth science is so strong that they outstanding candidates for either graduate school or academic tenure-track positions in departments at leading national and international Universities. Applicants for these Fellowships are solicited by advertisements in journals such as Science and Nature and in organizational newsletters such as the one published by the International Society for the Study of the Origin of Life (ISSOL), by contacting academic and NASA colleagues working in Exobiology or related fields and by recruiting students who have already been admitted into the various academic programs with which the PIs are affiliated.

  17. A novel self-replicating chimeric lentivirus-like particle.

    Science.gov (United States)

    Jurgens, Christy K; Young, Kelly R; Madden, Victoria J; Johnson, Philip R; Johnston, Robert E

    2012-01-01

    Successful live attenuated vaccines mimic natural exposure to pathogens without causing disease and have been successful against several viruses. However, safety concerns prevent the development of attenuated human immunodeficiency virus (HIV) as a vaccine candidate. If a safe, replicating virus vaccine could be developed, it might have the potential to offer significant protection against HIV infection and disease. Described here is the development of a novel self-replicating chimeric virus vaccine candidate that is designed to provide natural exposure to a lentivirus-like particle and to incorporate the properties of a live attenuated virus vaccine without the inherent safety issues associated with attenuated lentiviruses. The genome from the alphavirus Venezuelan equine encephalitis virus (VEE) was modified to express SHIV89.6P genes encoding the structural proteins Gag and Env. Expression of Gag and Env from VEE RNA in primate cells led to the assembly of particles that morphologically and functionally resembled lentivirus virions and that incorporated alphavirus RNA. Infection of CD4⁺ cells with chimeric lentivirus-like particles was specific and productive, resulting in RNA replication, expression of Gag and Env, and generation of progeny chimeric particles. Further genome modifications designed to enhance encapsidation of the chimeric virus genome and to express an attenuated simian immunodeficiency virus (SIV) protease for particle maturation improved the ability of chimeric lentivirus-like particles to propagate in cell culture. This study provides proof of concept for the feasibility of creating chimeric virus genomes that express lentivirus structural proteins and assemble into infectious particles for presentation of lentivirus immunogens in their native and functional conformation.

  18. Computational Systems Chemical Biology

    OpenAIRE

    Oprea, Tudor I.; May, Elebeoba E.; Leitão, Andrei; Tropsha, Alexander

    2011-01-01

    There is a critical need for improving the level of chemistry awareness in systems biology. The data and information related to modulation of genes and proteins by small molecules continue to accumulate at the same time as simulation tools in systems biology and whole body physiologically-based pharmacokinetics (PBPK) continue to evolve. We called this emerging area at the interface between chemical biology and systems biology systems chemical biology, SCB (Oprea et al., 2007).

  19. Non-Equilibrium Thermodynamics of Self-Replicating Protocells

    DEFF Research Database (Denmark)

    Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs

    2018-01-01

    We provide a non-equilibrium thermodynamic description of the life-cycle of a droplet based, chemically feasible, system of protocells. By coupling the protocells metabolic kinetics with its thermodynamics, we demonstrate how the system can be driven out of equilibrium to ensure protocell growth...... and replication. This coupling allows us to derive the equations of evolution and to rigorously demonstrate how growth and replication life-cycle can be understood as a non-equilibrium thermodynamic cycle. The process does not appeal to genetic information or inheritance, and is based only on non......-equilibrium physics considerations. Our non-equilibrium thermodynamic description of simple, yet realistic, processes of protocell growth and replication, represents an advance in our physical understanding of a central biological phenomenon both in connection to the origin of life and for modern biology....

  20. Amplified Self-replication of DNA Origami Nanostructures through Multi-cycle Fast-annealing Process

    Science.gov (United States)

    Zhou, Feng; Zhuo, Rebecca; He, Xiaojin; Sha, Ruojie; Seeman, Nadrian; Chaikin, Paul

    We have developed a non-biological self-replication process using templated reversible association of components and irreversible linking with annealing and UV cycles. The current method requires a long annealing time, up to several days, to achieve the specific self-assembly of DNA nanostructures. In this work, we accomplished the self-replication with a shorter time and smaller replication rate per cycle. By decreasing the ramping time, we obtained the comparable replication yield within 90 min. Systematic studies show that the temperature and annealing time play essential roles in the self-replication process. In this manner, we can amplify the self-replication process to a factor of 20 by increasing the number of cycles within the same amount of time.

  1. Whole system chemical geothermometry

    International Nuclear Information System (INIS)

    Pang Zhonghe

    1999-01-01

    Chemical and isotopic geothermometers are equations or models based on temperature dependent chemical reactions or isotope equilibrium fractionation reactions from which equilibrium temperatures of these reactions can be calculated. The major drawback of all the conventional geothermometry methods lies in their incapability on making a judgement on the equilibrium status of the studied systems. This review will focus on two of recent approaches in this field. Zhangzhou Geothermal Field in SE China will be used as an example to demonstrate the applications

  2. Origin of life. Primordial genetics: Information transfer in a pre-RNA world based on self-replicating beta-sheet amyloid conformers.

    Science.gov (United States)

    Maury, Carl Peter J

    2015-10-07

    The question of the origin of life on Earth can largely be reduced to the question of what was the first molecular replicator system that was able to replicate and evolve under the presumably very harsh conditions on the early Earth. It is unlikely that a functional RNA could have existed under such conditions and it is generally assumed that some other kind of information system preceded the RNA world. Here, I present an informational molecular system that is stable, self-replicative, environmentally responsive, and evolvable under conditions characterized by high temperatures, ultraviolet and cosmic radiation. This postulated pregenetic system is based on the amyloid fold, a functionally unique polypeptide fold characterized by a cross beta-sheet structure in which the beta strands are arranged perpendicular to the fiber axis. Beside an extraordinary structural robustness, the amyloid fold possesses a unique ability to transmit information by a three-dimensional templating mechanism. In amyloidogenesis short peptide monomers are added one by one to the growing end of the fiber. From the same monomeric subunits several structural variants of amyloid may be formed. Then, in a self-replicative mode, a specific amyloid conformer can act as a template and confer its spatially encoded information to daughter molecular entities in a repetitive way. In this process, the specific conformational information, the spatially changed organization, is transmitted; the coding element is the steric zipper structure, and recognition occurs by amino acid side chain complementarity. The amyloid information system fulfills several basic requirements of a primordial evolvable replicator system: (i) it is stable under the presumed primitive Earth conditions, (ii) the monomeric building blocks of the informational polymer can be formed from available prebiotic compounds, (iii) the system is self-assembling and self-replicative and (iv) it is adaptive to changes in the environment and

  3. Chemical sensor system

    Science.gov (United States)

    Darrach, Murray R. (Inventor); Chutjian, Ara (Inventor)

    2008-01-01

    A chemical sensing apparatus and method for the detection of sub parts-per-trillion concentrations of molecules in a sample by optimizing electron utilization in the formation of negative ions is provided. A variety of media may be sampled including air, seawater, dry sediment, or undersea sediment. An electrostatic mirror is used to reduce the kinetic energy of an electron beam to zero or near-zero kinetic energy.

  4. Amyloid oligomers and protofibrils, but not filaments, self-replicate from native lysozyme.

    Science.gov (United States)

    Mulaj, Mentor; Foley, Joseph; Muschol, Martin

    2014-06-25

    Self-assembly of amyloid fibrils is the molecular mechanism best known for its connection with debilitating human disorders such as Alzheimer's disease but is also associated with various functional cellular responses. There is increasing evidence that amyloid formation proceeds along two distinct assembly pathways involving either globular oligomers and protofibrils or rigid monomeric filaments. Oligomers, in particular, have been implicated as the dominant molecular species responsible for pathogenesis. Yet the molecular mechanisms regulating their self-assembly have remained elusive. Here we show that oligomers/protofibrils and monomeric filaments, formed along distinct assembly pathways, display critical differences in their ability to template amyloid growth at physiological vs denaturing temperatures. At physiological temperatures, amyloid filaments remained stable but could not seed growth of native monomers. In contrast, oligomers and protofibrils not only remained intact but were capable of self-replication using native monomers as the substrate. Kinetic data further suggested that this prion-like growth mode of oligomers/protofibrils involved two distinct activities operating orthogonal from each other: autocatalytic self-replication of oligomers from native monomers and nucleated polymerization of oligomers into protofibrils. The environmental changes to stability and templating competence of these different amyloid species in different environments are likely to be important for understanding the molecular mechanisms underlying both pathogenic and functional amyloid self-assembly.

  5. Americans Still Overestimate Social Class Mobility: A Pre-Registered Self-Replication.

    Science.gov (United States)

    Kraus, Michael W

    2015-01-01

    Kraus and Tan (2015) hypothesized that Americans tend to overestimate social class mobility in society, and do so because they seek to protect the self. This paper reports a pre-registered exact replication of Study 3 from this original paper and finds, consistent with the original study, that Americans substantially overestimate social class mobility, that people provide greater overestimates when made while thinking of similar others, and that high perceived social class is related to greater overestimates. The current results provide additional evidence consistent with the idea that people overestimate class mobility to protect their beliefs in the promise of equality of opportunity. Discussion considers the utility of pre-registered self-replications as one tool for encouraging replication efforts and assessing the robustness of effect sizes.

  6. Americans Still Overestimate Social Class Mobility: A Pre-Registered Self-Replication

    Directory of Open Access Journals (Sweden)

    Michael W. Kraus

    2015-11-01

    Full Text Available Kraus and Tan (2015 hypothesized that Americans tend to overestimate social class mobility in society, and do so because they seek to protect the self. This paper reports a pre-registered exact replication of Study 3 from this original paper and finds, consistent with the original study, that Americans substantially overestimate social class mobility, that people provide greater overestimates when made while thinking of similar others, and that high perceived social class is related to greater overestimates. The current results provide additional evidence consistent with the idea that people overestimate class mobility to protect their beliefs in the promise of equality of opportunity. Discussion considers the utility of pre-registered self-replications as one tool for encouraging replication efforts and assessing the robustness of effect sizes.

  7. Chemical systems, chemical contiguity and the emergence of life

    DEFF Research Database (Denmark)

    Kee, Terrence P.; Monnard, Pierre Alain

    2017-01-01

    to complex chemical systems over specific isolated functional apparatuses. We will summarize the recent advances in system chemistry and show that chemical systems in the geochemical context imply a form of chemical contiguity in the syntheses of the various molecules that precede modern biomolecules....

  8. Engineering of DNA polymerase I from Thermus thermophilus using compartmentalized self-replication.

    Science.gov (United States)

    Aye, Seaim Lwin; Fujiwara, Kei; Ueki, Asuka; Doi, Nobuhide

    2018-05-05

    Although compartmentalized self-replication (CSR) and compartmentalized partnered replication (CPR) are powerful tools for directed evolution of proteins and gene circuits, limitations remain in the emulsion PCR process with the wild-type Taq DNA polymerase used so far, including long run times, low amounts of product, and false negative results due to inhibitors. In this study, we developed a high-efficiency mutant of DNA polymerase I from Thermus thermophilus HB27 (Tth pol) suited for CSR and CPR. We modified the wild-type Tth pol by (i) deletion of the N-terminal 5' to 3' exonuclease domain, (ii) fusion with the DNA-binding protein Sso7d, (iii) introduction of four known effective point mutations from other DNA polymerase mutants, and (iv) codon optimization to reduce the GC content. Consequently, we obtained a mutant that provides higher product yields than the conventional Taq pol without decreased fidelity. Next, we performed four rounds of CSR selection with a randomly mutated library of this modified Tth pol and obtained mutants that provide higher product yields in fewer cycles of emulsion PCR than the parent Tth pol as well as the conventional Taq pol. Copyright © 2018 Elsevier Inc. All rights reserved.

  9. Compartmentalized self-replication (CSR) selection of Thermococcus litoralis Sh1B DNA polymerase for diminished uracil binding.

    Science.gov (United States)

    Tubeleviciute, Agne; Skirgaila, Remigijus

    2010-08-01

    The thermostable archaeal DNA polymerase Sh1B from Thermococcus litoralis has a typical uracil-binding pocket, which in nature plays an essential role in preventing the accumulation of mutations caused by cytosine deamination to uracil and subsequent G-C base pair transition to A-T during the genomic DNA replication. The uracil-binding pocket recognizes and binds uracil base in a template strand trapping the polymerase. Since DNA replication stops, the repair systems have a chance to correct the promutagenic event. Archaeal family B DNA polymerases are employed in various PCR applications. Contrary to nature, in PCR the uracil-binding property of archaeal polymerases is disadvantageous and results in decreased DNA amplification yields and lowered sensitivity. Furthermore, in diagnostics qPCR, RT-qPCR and end-point PCR are performed using dNTP mixtures, where dTTP is partially or fully replaced by dUTP. Uracil-DNA glycosylase treatment and subsequent heating of the samples is used to degrade the DNA containing uracil and prevent carryover contamination, which is the main concern in diagnostic laboratories. A thermostable archaeal DNA polymerase with the abolished uracil binding would be a highly desirable and commercially interesting product. An attempt to disable uracil binding in DNA polymerase Sh1B from T. litoralis by generating site-specific mutants did not yield satisfactory results. However, a combination of random mutagenesis of the whole polymerase gene and compartmentalized self-replication was successfully used to select variants of thermostable Sh1B polymerase capable of performing PCR with dUTP instead of dTTP.

  10. Polyethylenimine-based polyplex delivery of self-replicating RNA vaccines.

    Science.gov (United States)

    Démoulins, Thomas; Milona, Panagiota; Englezou, Pavlos C; Ebensen, Thomas; Schulze, Kai; Suter, Rolf; Pichon, Chantal; Midoux, Patrick; Guzmán, Carlos A; Ruggli, Nicolas; McCullough, Kenneth C

    2016-04-01

    Self-amplifying replicon RNA (RepRNA) are large molecules (12-14 kb); their self-replication amplifies mRNA template numbers, affording several rounds of antigen production, effectively increasing vaccine antigen payloads. Their sensitivity to RNase-sensitivity and inefficient uptake by dendritic cells (DCs) - absolute requirements for vaccine design - were tackled by condensing RepRNA into synthetic, nanoparticulate, polyethylenimine (PEI)-polyplex delivery vehicles. Polyplex-delivery formulations for small RNA molecules cannot be transferred to RepRNA due to its greater size and complexity; the N:P charge ratio and impact of RepRNA folding would influence polyplex condensation, post-delivery decompaction and the cytosolic release essential for RepRNA translation. Polyplex-formulations proved successful for delivery of RepRNA encoding influenza virus hemagglutinin and nucleocapsid to DCs. Cytosolic translocation was facilitated, leading to RepRNA translation. This efficacy was confirmed in vivo, inducing both humoral and cellular immune responses. Accordingly, this paper describes the first PEI-polyplexes providing efficient delivery of the complex and large, self-amplifying RepRNA vaccines. The use of self-amplifying replicon RNA (RepRNA) to increase vaccine antigen payloads can potentially be useful in effective vaccine design. Nonetheless, its use is limited by the degradation during the uptake process. Here, the authors attempted to solve this problem by packaging RepRNA using polyethylenimine (PEI)-polyplex delivery vehicles. The efficacy was confirmed in vivo by the appropriate humoral and cellular immune responses. This novel delivery method may prove to be very useful for future vaccine design. Copyright © 2015 Elsevier Inc. All rights reserved.

  11. Introduction to the Chemical Management System

    International Nuclear Information System (INIS)

    Sawyer, J.G.

    1993-01-01

    The CMS, a Laboratory-wide electronic chemical inventory tracking system, will assist PNL by establishing comprehensive, integrated, Laboratory-wide databases supported by consistent and standardized procedures for chemical inventory management. It will provide PNL with the information needed to meet its current chemical management responsibilities and regulatory requirements. Its objectives are to provide an inventory of all chemicals being held at PNL facilities, to provide a specific location for all chemical containers, to ensure that health and safety regulatory codes are being upheld, and to provide PNL staff and managers with hazardous-chemical information for better inventory management. It is composed of 5 modules: chemical purchasing; chemical inventory; chemical names, properties, and hazardous groups; reporting; and system manager

  12. Necessary conditions for the emergence of homochirality via autocatalytic self-replication

    Energy Technology Data Exchange (ETDEWEB)

    Stich, Michael [Non-linearity and Complexity Research Group, System Analytics Research Institute, School of Engineering and Applied Science, Aston University, B4 7ET Birmingham (United Kingdom); Ribó, Josep M. [Department of Organic Chemistry, Institute of Cosmos Science (IEEC-UB), University of Barcelona, Barcelona (Spain); Blackmond, Donna G., E-mail: blackmond@scripps.edu [Department of Chemistry, The Scripps Research Institute, La Jolla, California 93207 (United States); Hochberg, David, E-mail: hochbergd@cab.inta-csic.es [Department of Molecular Evolution, Centro de Astrobiología (CSIC-INTA), Carretera Ajalvir Kilómetro 4, 28850 Torrejón de Ardoz, Madrid (Spain)

    2016-08-21

    We analyze a recent proposal for spontaneous mirror symmetry breaking based on the coupling of first-order enantioselective autocatalysis and direct production of the enantiomers that invokes a critical role for intrinsic reaction noise. For isolated systems, the racemic state is the unique stable outcome for both stochastic and deterministic dynamics when the system is in compliance with the constraints dictated by the thermodynamics of chemical reaction processes. In open systems, the racemic outcome also results for both stochastic and deterministic dynamics when driving the autocatalysis unidirectionally by external reagents. Nonracemic states can result in the latter only if the reverse reactions are strictly zero: these are kinetically controlled outcomes for small populations and volumes, and can be simulated by stochastic dynamics. However, the stability of the thermodynamic limit proves that the racemic outcome is the unique stable state for strictly irreversible externally driven autocatalysis. These findings contradict the suggestion that the inhibition requirement of the Frank autocatalytic model for the emergence of homochirality may be relaxed in a noise-induced mechanism.

  13. Advanced Chemical Propulsion System Study

    Science.gov (United States)

    Portz, Ron; Alexander, Leslie; Chapman, Jack; England, Chris; Henderson, Scott; Krismer, David; Lu, Frank; Wilson, Kim; Miller, Scott

    2007-01-01

    A detailed; mission-level systems study has been performed to show the benefit resulting from engine performance gains that will result from NASA's In-Space Propulsion ROSS Cycle 3A NRA, Advanced Chemical Technology sub-topic. The technology development roadmap to accomplish the NRA goals are also detailed in this paper. NASA-Marshall and NASA-JPL have conducted mission-level studies to define engine requirements, operating conditions, and interfaces. Five reference missions have been chosen for this analysis based on scientific interest, current launch vehicle capability and trends in space craft size: a) GTO to GEO, 4800 kg, delta-V for GEO insertion only approx.1830 m/s; b) Titan Orbiter with aerocapture, 6620 kg, total delta V approx.210 m/s, mostly for periapsis raise after aerocapture; c) Enceladus Orbiter (Titan aerocapture) 6620 kg, delta V approx.2400 m/s; d) Europa Orbiter, 2170 kg, total delta V approx.2600 m/s; and e) Mars Orbiter, 2250 kg, total delta V approx.1860 m/s. The figures of merit used to define the benefit of increased propulsion efficiency at the spacecraft level include propulsion subsystem wet mass, volume and overall cost. The objective of the NRA is to increase the specific impulse of pressure-fed earth storable bipropellant rocket engines to greater than 330 seconds with nitrogen tetroxide and monomothylhydrazine propellants and greater than 335 , seconds with nitrogen tetroxide and hydrazine. Achievement of the NRA goals will significantly benefit NASA interplanetary missions and other government and commercial opportunities by enabling reduced launch weight and/or increased payload. The study also constitutes a crucial stepping stone to future development, such as pump-fed storable engines.

  14. Chemical systems, chemical contiguity and the emergence of life

    Directory of Open Access Journals (Sweden)

    Terrence P. Kee

    2017-08-01

    Full Text Available Charting the emergence of living cells from inanimate matter remains an intensely challenging scientific problem. The complexity of the biochemical machinery of cells with its exquisite intricacies hints at cells being the product of a long evolutionary process. Research on the emergence of life has long been focusing on specific, well-defined problems related to one aspect of cellular make-up, such as the formation of membranes or the build-up of information/catalytic apparatus. This approach is being gradually replaced by a more “systemic” approach that privileges processes inherent to complex chemical systems over specific isolated functional apparatuses. We will summarize the recent advances in system chemistry and show that chemical systems in the geochemical context imply a form of chemical contiguity in the syntheses of the various molecules that precede modern biomolecules.

  15. Hazardous chemical tracking system (HAZ-TRAC)

    International Nuclear Information System (INIS)

    Bramlette, J.D.; Ewart, S.M.; Jones, C.E.

    1990-07-01

    Westinghouse Idaho Nuclear Company, Inc. (WINCO) developed and implemented a computerized hazardous chemical tracking system, referred to as Haz-Trac, for use at the Idaho Chemical Processing Plant (ICPP). Haz-Trac is designed to provide a means to improve the accuracy and reliability of chemical information, which enhances the overall quality and safety of ICPP operations. The system tracks all chemicals and chemical components from the time they enter the ICPP until the chemical changes form, is used, or becomes a waste. The system runs on a Hewlett-Packard (HP) 3000 Series 70 computer. The system is written in COBOL and uses VIEW/3000, TurboIMAGE/DBMS 3000, OMNIDEX, and SPEEDWARE. The HP 3000 may be accessed throughout the ICPP, and from remote locations, using data communication lines. Haz-Trac went into production in October, 1989. Currently, over 1910 chemicals and chemical components are tracked on the system. More than 2500 personnel hours were saved during the first six months of operation. Cost savings have been realized by reducing the time needed to collect and compile reporting information, identifying and disposing of unneeded chemicals, and eliminating duplicate inventories. Haz-Trac maintains information required by the Superfund Amendment Reauthorization Act (SARA), the Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) and the Occupational Safety and Health Administration (OSHA)

  16. Hazardous chemical tracking system (HAZ-TRAC)

    Energy Technology Data Exchange (ETDEWEB)

    Bramlette, J D; Ewart, S M; Jones, C E

    1990-07-01

    Westinghouse Idaho Nuclear Company, Inc. (WINCO) developed and implemented a computerized hazardous chemical tracking system, referred to as Haz-Trac, for use at the Idaho Chemical Processing Plant (ICPP). Haz-Trac is designed to provide a means to improve the accuracy and reliability of chemical information, which enhances the overall quality and safety of ICPP operations. The system tracks all chemicals and chemical components from the time they enter the ICPP until the chemical changes form, is used, or becomes a waste. The system runs on a Hewlett-Packard (HP) 3000 Series 70 computer. The system is written in COBOL and uses VIEW/3000, TurboIMAGE/DBMS 3000, OMNIDEX, and SPEEDWARE. The HP 3000 may be accessed throughout the ICPP, and from remote locations, using data communication lines. Haz-Trac went into production in October, 1989. Currently, over 1910 chemicals and chemical components are tracked on the system. More than 2500 personnel hours were saved during the first six months of operation. Cost savings have been realized by reducing the time needed to collect and compile reporting information, identifying and disposing of unneeded chemicals, and eliminating duplicate inventories. Haz-Trac maintains information required by the Superfund Amendment Reauthorization Act (SARA), the Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) and the Occupational Safety and Health Administration (OSHA).

  17. Plasma-chemical processes and systems

    International Nuclear Information System (INIS)

    Castro B, J.

    1987-01-01

    The direct applications of plasma technology on chemistry and metallurgy are presented. The physical fundaments of chemically active non-equilibrium plasma, the reaction kinetics, and the physical chemical transformations occuring in the electrical discharges, which are applied in the industry, are analysed. Some plasma chemical systems and processes related to the energy of hydrogen, with the chemical technology and with the metallurgy are described. Emphasis is given to the optimization of the energy effectiveness of these processes to obtain reducers and artificial energetic carriers. (M.C.K.) [pt

  18. System chemical biology studies of endocrine disruptors

    DEFF Research Database (Denmark)

    Taboureau, Olivier; Oprea, Tudor I.

    Endocrine disrupting chemicals (EDCs) alter hormonal balance and other physiological systems through inappropriate developmental or adult exposure, perturbing the reproductive function of further generations. While disruption of key receptors (e.g., estrogen, androgen, and thyroid) at the ligand...

  19. Chaos in a chemical system

    Science.gov (United States)

    Srivastava, R.; Srivastava, P. K.; Chattopadhyay, J.

    2013-07-01

    Chaotic oscillations have been observed experimentally in dual-frequency oscillator OAP - Ce+4-BrO- 3-H2SO4 in CSTR. The system shows variation of oscillating potential and frequencies when it moves from low frequency to high frequency region and vice-versa. It was observed that system bifurcate from low frequency to chaotic regime through periode-2 and period-3 on the other hand system bifurcate from chaotic regime to high frequency oscillation through period-2. It was established that the observed oscillations are chaotic in nature on the basis of next amplitude map and bifurcation sequences.

  20. Chemical heat pump and chemical energy storage system

    Science.gov (United States)

    Clark, Edward C.; Huxtable, Douglas D.

    1985-08-06

    A chemical heat pump and storage system employs sulfuric acid and water. In one form, the system includes a generator and condenser, an evaporator and absorber, aqueous acid solution storage and water storage. During a charging cycle, heat is provided to the generator from a heat source to concentrate the acid solution while heat is removed from the condenser to condense the water vapor produced in the generator. Water is then stored in the storage tank. Heat is thus stored in the form of chemical energy in the concentrated acid. The heat removed from the water vapor can be supplied to a heat load of proper temperature or can be rejected. During a discharge cycle, water in the evaporator is supplied with heat to generate water vapor, which is transmitted to the absorber where it is condensed and absorbed into the concentrated acid. Both heats of dilution and condensation of water are removed from the thus diluted acid. During the discharge cycle the system functions as a heat pump in which heat is added to the system at a low temperature and removed from the system at a high temperature. The diluted acid is stored in an acid storage tank or is routed directly to the generator for reconcentration. The generator, condenser, evaporator, and absorber all are operated under pressure conditions specified by the desired temperature levels for a given application. The storage tanks, however, can be maintained at or near ambient pressure conditions. In another form, the heat pump system is employed to provide usable heat from waste process heat by upgrading the temperature of the waste heat.

  1. Engineered Barrier System: Physical and Chemical Environment

    International Nuclear Information System (INIS)

    Dixon, P.

    2004-01-01

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports

  2. System for chemical decontamination of nuclear reactor primary systems

    International Nuclear Information System (INIS)

    Schlonski, J.S.; McGiure, M.F.; Corpora, G.J.

    1992-01-01

    This patent describes a method of chemically decontaminating a nuclear reactor primary system, having a residual heat removal system with one or more residual heat removal heat exchangers, each having an upstream and a downstream side, at or above ambient pressure. It comprises: injecting decontamination chemicals using an injection means; circulating the injected decontamination chemicals throughout the primary system; directing the circulated decontamination chemicals and process fluids to a means for removing suspended solids and dissolved materials after the circulated chemicals and process fluids have passed through the residual heat removal heat exchanger; decontaminating the process fluids; and feeding the decontaminated process fluids to the injection means. This patent also describes a chemical decontamination system for use at, or above, ambient pressure in a nuclear reactor primary system having a residual heat removal system. It comprises: means for injecting decontamination chemicals into the primary system; means for removing dissolved and suspended materials and decontamination chemicals from the primary system; one or more residual heat removal pumps; means located downstream of one of the residual heat removal heat exchangers; and a return line connecting the means

  3. Chemical detection, identification, and analysis system

    International Nuclear Information System (INIS)

    Morel, R.S.; Gonzales, D.; Mniszewski, S.

    1990-01-01

    The chemical detection, identification, and analysis system (CDIAS) has three major goals. The first is to display safety information regarding chemical environment before personnel entry. The second is to archive personnel exposure to the environment. Third, the system assists users in identifying the stage of a chemical process in progress and suggests safety precautions associated with that process. In addition to these major goals, the system must be sufficiently compact to provide transportability, and it must be extremely simple to use in order to keep user interaction at a minimum. The system created to meet these goals includes several pieces of hardware and the integration of four software packages. The hardware consists of a low-oxygen, carbon monoxide, explosives, and hydrogen sulfide detector; an ion mobility spectrometer for airborne vapor detection; and a COMPAQ 386/20 portable computer. The software modules are a graphics kernel, an expert system shell, a data-base management system, and an interface management system. A supervisory module developed using the interface management system coordinates the interaction of the other software components. The system determines the safety of the environment using conventional data acquisition and analysis techniques. The low-oxygen, carbon monoxide, hydrogen sulfide, explosives, and vapor detectors are monitored for hazardous levels, and warnings are issued accordingly

  4. A polarization system for persistent chemical detection

    Science.gov (United States)

    Craven-Jones, Julia; Appelhans, Leah; Couphos, Eric; Embree, Todd; Finnegan, Patrick; Goldstein, Dennis; Karelitz, David; LaCasse, Charles; Luk, Ting S.; Mahamat, Adoum; Massey, Lee; Tanbakuchi, Anthony; Washburn, Cody; Vigil, Steven

    2015-09-01

    We report on the development of a prototype polarization tag based system for detecting chemical vapors. The system primarily consists of two components, a chemically sensitive tag that experiences a change in its optical polarization properties when exposed to a specific chemical of interest, and an optical imaging polarimeter that is used to measure the polarization properties of the tags. Although the system concept could be extended to other chemicals, for the initial system prototype presented here the tags were developed to be sensitive to hydrogen fluoride (HF) vapors. HF is used in many industrial processes but is highly toxic and thus monitoring for its presence and concentration is often of interest for personnel and environmental safety. The tags are periodic multilayer structures that are produced using standard photolithographic processes. The polarimetric imager has been designed to measure the degree of linear polarization reflected from the tags in the short wave infrared. By monitoring the change in the reflected polarization signature from the tags, the polarimeter can be used to determine if the tag was exposed to HF gas. In this paper, a review of the system development effort and preliminary test results are presented and discussed, as well as our plan for future work.

  5. Engineered Barrier System: Physical and Chemical Environment

    Energy Technology Data Exchange (ETDEWEB)

    P. Dixon

    2004-04-26

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.

  6. Chemical reactions in reverse micelle systems

    Science.gov (United States)

    Matson, Dean W.; Fulton, John L.; Smith, Richard D.; Consani, Keith A.

    1993-08-24

    This invention is directed to conducting chemical reactions in reverse micelle or microemulsion systems comprising a substantially discontinuous phase including a polar fluid, typically an aqueous fluid, and a microemulsion promoter, typically a surfactant, for facilitating the formation of reverse micelles in the system. The system further includes a substantially continuous phase including a non-polar or low-polarity fluid material which is a gas under standard temperature and pressure and has a critical density, and which is generally a water-insoluble fluid in a near critical or supercritical state. Thus, the microemulsion system is maintained at a pressure and temperature such that the density of the non-polar or low-polarity fluid exceeds the critical density thereof. The method of carrying out chemical reactions generally comprises forming a first reverse micelle system including an aqueous fluid including reverse micelles in a water-insoluble fluid in the supercritical state. Then, a first reactant is introduced into the first reverse micelle system, and a chemical reaction is carried out with the first reactant to form a reaction product. In general, the first reactant can be incorporated into, and the product formed in, the reverse micelles. A second reactant can also be incorporated in the first reverse micelle system which is capable of reacting with the first reactant to form a product.

  7. Primer-Independent DNA Synthesis by a Family B DNA Polymerase from Self-Replicating Mobile Genetic Elements

    Directory of Open Access Journals (Sweden)

    Modesto Redrejo-Rodríguez

    2017-11-01

    Full Text Available Family B DNA polymerases (PolBs play a central role during replication of viral and cellular chromosomes. Here, we report the discovery of a third major group of PolBs, which we denote primer-independent PolB (piPolB, that might be a link between the previously known protein-primed and RNA/DNA-primed PolBs. PiPolBs are encoded by highly diverse mobile genetic elements, pipolins, integrated in the genomes of diverse bacteria and also present as circular plasmids in mitochondria. Biochemical characterization showed that piPolB displays efficient DNA polymerization activity that can use undamaged and damaged templates and is endowed with proofreading and strand displacement capacities. Remarkably, the protein is also capable of template-dependent de novo DNA synthesis, i.e., DNA-priming activity, thereby breaking the long-standing dogma that replicative DNA polymerases require a pre-existing primer for DNA synthesis. We suggest that piPolBs are involved in self-replication of pipolins and may also contribute to bacterial DNA damage tolerance.

  8. Treatment with a non-toxic, self-replicating anti-prion delays or prevents prion disease in vivo.

    Science.gov (United States)

    Diaz-Espinoza, R; Morales, R; Concha-Marambio, L; Moreno-Gonzalez, I; Moda, F; Soto, C

    2018-03-01

    Transmissible spongiform encephalopathies (TSEs) are fatal neurological disorders caused by prions, which are composed of a misfolded protein (PrP Sc ) that self-propagates in the brain of infected individuals by converting the normal prion protein (PrP C ) into the pathological isoform. Here, we report a novel experimental strategy for preventing prion disease based on producing a self-replicating, but innocuous PrP Sc -like form, termed anti-prion, which can compete with the replication of pathogenic prions. Our results show that a prophylactic inoculation of prion-infected animals with an anti-prion delays the onset of the disease and in some animals completely prevents the development of clinical symptoms and brain damage. The data indicate that a single injection of the anti-prion eliminated ~99% of the infectivity associated to pathogenic prions. Furthermore, this treatment caused significant changes in the profile of regional PrP Sc deposition in the brains of animals that were treated, but still succumbed to the disease. Our findings provide new insights for a mechanistic understanding of prion replication and support the concept that prion replication can be separated from toxicity, providing a novel target for therapeutic intervention.

  9. Chemical sensing underclothing system for testing PPE

    International Nuclear Information System (INIS)

    Slabotinsky, J.; Kralik, L.; Bradka, S.; Castulik, P.

    2009-01-01

    Personal protective equipment (PPE) when worn is subjected to pressure differentials across the garment due to ambient wind flow, by body movement and breathing creating the bellows effect, which may force hazardous chemicals vapor or aerosol through the closures, joints, outlet valves and/or clothing protective fabric. Thus the design, fit, size or improper donning of the protective garment will influence chemical-agent penetration. In order to determine penetration of chemical-protective garments by chemical vapor or aerosol, it is necessary to test the entire suit system, including seams, closures, outlet valves and areas of transition with other protective equipment, that is, at the ankles, waist, wrists, neck etc. In order to identify penetration of chemical vapor or aerosol through protective assembly, the Man-in-Simulant Test (MIST) with passive adsorptive devices (PADs) is used, when adsorbed challenging agent (simulant) is desorbed from the PAD and quantified. The current MIST method is failing in complexity of leak detection, due to limited number of passive collection points fixed on human body or a mannequin and very labor extensive work associated with allocation of 20-40 PADs and quantification of adsorbed agent. The Czech approach to detect and quantify penetration/permeation of chemical agent is based on chemical sensing underclothing enable to change the color when exposed with simulant or even with real CW agent. Color intensity and shape of stains on sensing fabric are processed with Laboratory Universal Computer Image Analysis (LUCIA) allowing determining the quantity and the allocation of the penetrating noxious agent(s). This method allows for example calculate individual doses of exposure, the breakthrough coefficient of protective garment as whole and uniquely precise allocation of penetration/permeation shortfalls. Presentation is providing detailed description of imaging system with nickname 'LUCY' in combination with testing mannequin

  10. ANALYTICAL SYNTHESIS OF CHEMICAL REACTOR CONTROL SYSTEM

    Directory of Open Access Journals (Sweden)

    Alexander Labutin

    2017-02-01

    Full Text Available The problem of the analytical synthesis of the synergetic control system of chemical reactor for the realization of a complex series-parallel exothermal reaction has been solved. The synthesis of control principles is performed using the analytical design method of aggregated regulators. Synthesized nonlinear control system solves the problem of stabilization of the concentration of target component at the exit of reactor and also enables one to automatically transfer to new production using the equipment.

  11. Microfabricated Gas Phase Chemical Analysis Systems

    International Nuclear Information System (INIS)

    FRYE-MASON, GREGORY CHARLES; HELLER, EDWIN J.; HIETALA, VINCENT M.; KOTTENSTETTE, RICHARD; LEWIS, PATRICK R.; MANGINELL, RONALD P.; MATZKE, CAROLYN M.; WONG, CHUNGNIN C.

    1999-01-01

    A portable, autonomous, hand-held chemical laboratory ((micro)ChemLab(trademark)) is being developed for trace detection (ppb) of chemical warfare (CW) agents and explosives in real-world environments containing high concentrations of interfering compounds. Microfabrication is utilized to provide miniature, low-power components that are characterized by rapid, sensitive and selective response. Sensitivity and selectivity are enhanced using two parallel analysis channels, each containing the sequential connection of a front-end sample collector/concentrator, a gas chromatographic (GC) separator, and a surface acoustic wave (SAW) detector. Component design and fabrication and system performance are described

  12. Lightweight autonomous chemical identification system (LACIS)

    Science.gov (United States)

    Lozos, George; Lin, Hai; Burch, Timothy

    2012-06-01

    Smiths Detection and Intelligent Optical Systems have developed prototypes for the Lightweight Autonomous Chemical Identification System (LACIS) for the US Department of Homeland Security. LACIS is to be a handheld detection system for Chemical Warfare Agents (CWAs) and Toxic Industrial Chemicals (TICs). LACIS is designed to have a low limit of detection and rapid response time for use by emergency responders and could allow determination of areas having dangerous concentration levels and if protective garments will be required. Procedures for protection of responders from hazardous materials incidents require the use of protective equipment until such time as the hazard can be assessed. Such accurate analysis can accelerate operations and increase effectiveness. LACIS is to be an improved point detector employing novel CBRNE detection modalities that includes a militaryproven ruggedized ion mobility spectrometer (IMS) with an array of electro-resistive sensors to extend the range of chemical threats detected in a single device. It uses a novel sensor data fusion and threat classification architecture to interpret the independent sensor responses and provide robust detection at low levels in complex backgrounds with minimal false alarms. The performance of LACIS prototypes have been characterized in independent third party laboratory tests at the Battelle Memorial Institute (BMI, Columbus, OH) and indoor and outdoor field tests at the Nevada National Security Site (NNSS). LACIS prototypes will be entering operational assessment by key government emergency response groups to determine its capabilities versus requirements.

  13. Endocrine Disrupting Chemical Impacts on Aquatic Systems

    Science.gov (United States)

    Jobling, Susan

    2014-07-01

    We often talk about the importance of water, but one area that's often overlooked is the safety of our water supply. How many people actually think about the purity of their water when they turn on the tap? We may have real reason to be concerned because our water delivery systems and treatment technology seem to be stuck in the past, relying on old water treatment and water delivery systems. While these systems still do a great job filtering out particles, parasites and bacteria, they usually fail to remove 21st century contaminants like pesticides, industrial chemicals, lead, pharmaceuticals and arsenic. Indeed our water contains already a whole plethora of things in daily commerce and pharmaceuticals are increasingly showing up in the water supply, including antibiotics, anti-convulsants, mood altering medications and sex hormones. As the world's dependence on chemicals grows, our water supplies will continue to feel the effects, which inevitably will touch every person on this planet...

  14. Self-Replicating Quadratics

    Science.gov (United States)

    Withers, Christopher S.; Nadarajah, Saralees

    2012-01-01

    We show that there are exactly four quadratic polynomials, Q(x) = x [superscript 2] + ax + b, such that (x[superscript 2] + ax + b) (x[superscript 2] - ax + b) = (x[superscript 4] + ax[superscript 2] + b). For n = 1, 2, ..., these quadratic polynomials can be written as the product of N = 2[superscript n] quadratic polynomials in x[superscript…

  15. ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

    Energy Technology Data Exchange (ETDEWEB)

    R. Jarek

    2004-11-23

    The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports.

  16. ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

    International Nuclear Information System (INIS)

    Jarek, R.

    2004-01-01

    The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports

  17. ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

    International Nuclear Information System (INIS)

    G.H. Nieder-Westermann

    2005-01-01

    The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports

  18. ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

    Energy Technology Data Exchange (ETDEWEB)

    G.H. Nieder-Westermann

    2005-04-07

    The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports.

  19. Chemical dosimetry system for criticality accidents.

    Science.gov (United States)

    Miljanić, Saveta; Ilijas, Boris

    2004-01-01

    Ruder Bosković Institute (RBI) criticality dosimetry system consists of a chemical dosimetry system for measuring the total (neutron + gamma) dose, and a thermoluminescent (TL) dosimetry system for a separate determination of the gamma ray component. The use of the chemical dosemeter solution chlorobenzene-ethanol-trimethylpentane (CET) is based on the radiolytic formation of hydrochloric acid, which protonates a pH indicator, thymolsulphonphthalein. The high molar absorptivity of its red form at 552 nm is responsible for a high sensitivity of the system: doses in the range 0.2-15 Gy can be measured. The dosemeter has been designed as a glass ampoule filled with the CET solution and inserted into a pen-shaped plastic holder. For dose determinations, a newly constructed optoelectronic reader has been used. The RBI team took part in the International Intercomparison of Criticality Accident Dosimetry Systems at the SILENE Reactor, Valduc, June 2002, with the CET dosimetry system. For gamma ray dose determination TLD-700 TL detectors were used. The results obtained with CET dosemeter show very good agreement with the reference values.

  20. Chemical decontamination method in nuclear facility system

    International Nuclear Information System (INIS)

    Takahashi, Ryota; Sakai, Hitoshi; Oka, Shigehiro.

    1996-01-01

    Pumps and valves in a closed recycling loop system incorporating materials to be chemically decontaminated are decomposed, a guide plate having the decomposed parts as an exit/inlet of a decontaminating liquid is formed, and a decontaminating liquid recycling loop comprising a recycling pump and a heater is connected to the guide plate. Decontaminating liquid from a decontaminating liquid storage tank is supplied to the decontaminating liquid recycling loop. With such constitutions, the decontaminating liquid is filled in the recycling closed loop system incorporating materials to be decontaminated, and the materials to be decontaminated are chemically decontaminated. The decontaminating liquid after the decontamination is discharged and flows, if necessary, in a recycling system channel for repeating supply and discharge. After the decontamination, the guide plate is removed and returned to the original recycling loop. When pipelines of a reactor recycling system are decontaminated, the amount of decontaminations can be decreased, and reforming construction for assembling the recycling loop again, which requires cutting for pipelines in the system is no more necessary. Accordingly, the amount of wastes can be decreased, and therefore, the decontamination operation is facilitated and radiation dose can be reduced. (T.M.)

  1. MINEQL, Chemical Equilibrium Composition of Aqueous Systems

    International Nuclear Information System (INIS)

    Westall, John C.; Zachary, Joseph L.; Morel, Francois M.M.; Parsons, Ralph M.; Schweingruber, M.

    1994-01-01

    1 - Description of program or function: MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer. MINEQL-EIR contains an additional base on enthalpy and heat capacity data and has the option to do calculations at temperatures different from 25 degrees C. 2 - Method of solution: In MINEQL, the Gibbs free-energy function is minimized and mass balance chemical reaction equations are solved simultaneously. In MINEQL-EIR, the iteration scheme to solve the system of equations has been improved to make the probability of divergence very small. 3 - Restrictions on the complexity of the problem: MINEQL does not take into account mass transfer of water molecules

  2. Slow Invariant Manifolds in Chemically Reactive Systems

    Science.gov (United States)

    Paolucci, Samuel; Powers, Joseph M.

    2006-11-01

    The scientific design of practical gas phase combustion devices has come to rely on the use of mathematical models which include detailed chemical kinetics. Such models intrinsically admit a wide range of scales which renders their accurate numerical approximation difficult. Over the past decade, rational strategies, such as Intrinsic Low Dimensional Manifolds (ILDM) or Computational Singular Perturbations (CSP), for equilibrating fast time scale events have been successfully developed, though their computation can be challenging and their accuracy in most cases uncertain. Both are approximations to the preferable slow invariant manifold which best describes how the system evolves in the long time limit. Strategies for computing the slow invariant manifold are examined, and results are presented for practical combustion systems.

  3. 29 CFR 1910.161 - Fixed extinguishing systems, dry chemical.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 5 2010-07-01 2010-07-01 false Fixed extinguishing systems, dry chemical. 1910.161 Section... § 1910.161 Fixed extinguishing systems, dry chemical. (a) Scope and application. This section applies to all fixed extinguishing systems, using dry chemical as the extinguishing agent, installed to meet a...

  4. ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

    Energy Technology Data Exchange (ETDEWEB)

    R. Jarek

    2005-08-29

    The purpose of this model report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The resulting seepage evaporation and gas abstraction models are used in the total system performance assessment for the license application (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2005 [DIRS 173782], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports. To be consistent with other project documents that address features, events, and processes (FEPs), Table 6.14.1 of the current report includes updates to FEP numbers and FEP subjects for two FEPs identified in the technical work plan (TWP) governing this report (BSC 2005 [DIRS 173782]). FEP 2.1.09.06.0A (Reduction-oxidation potential in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.06.0B (Reduction-oxidation potential in Drifts; see Table 6.14-1). FEP 2.1.09.07.0A (Reaction kinetics in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.07.0B (Reaction kinetics in Drifts; see Table 6.14-1). These deviations from the TWP are justified because they improve integration with FEPs

  5. ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

    International Nuclear Information System (INIS)

    R. Jarek

    2005-01-01

    The purpose of this model report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The resulting seepage evaporation and gas abstraction models are used in the total system performance assessment for the license application (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2005 [DIRS 173782], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports. To be consistent with other project documents that address features, events, and processes (FEPs), Table 6.14.1 of the current report includes updates to FEP numbers and FEP subjects for two FEPs identified in the technical work plan (TWP) governing this report (BSC 2005 [DIRS 173782]). FEP 2.1.09.06.0A (Reduction-oxidation potential in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.06.0B (Reduction-oxidation potential in Drifts; see Table 6.14-1). FEP 2.1.09.07.0A (Reaction kinetics in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.07.0B (Reaction kinetics in Drifts; see Table 6.14-1). These deviations from the TWP are justified because they improve integration with FEPs documents. The updates

  6. Water system integration of a chemical plant

    International Nuclear Information System (INIS)

    Zheng Pingyou; Feng Xiao; Qian Feng; Cao Dianliang

    2006-01-01

    Water system integration can minimize both the freshwater consumption and the wastewater discharge of a plant. In industrial applications, it is the key to determine reasonably the contaminants and the limiting concentrations, which will decide the freshwater consumption and wastewater discharge of the system. In this paper, some rules to determine the contaminants and the limiting concentrations are proposed. As a case study, the water system in a chemical plant that produces sodium hydroxide and PVC (polyvinyl chloride) is integrated. The plant consumes a large amount of freshwater and discharges a large amount of wastewater, so minimization of both the freshwater consumption and the wastewater discharge is very important to it. According to the requirements of each water using process on the water used in it, the contaminants and the limiting concentrations are determined. Then, the optimal water reuse scheme is firstly studied based on the water network with internal water mains. To reduce the freshwater consumption and the wastewater discharge further, decentralized regeneration recycling is considered. The water using network is simplified by mixing some of the used water. After the water system integration, the freshwater consumption is reduced 25.5%, and the wastewater discharge is reduced 48%

  7. Modeling Complex Chemical Systems: Problems and Solutions

    Science.gov (United States)

    van Dijk, Jan

    2016-09-01

    Non-equilibrium plasmas in complex gas mixtures are at the heart of numerous contemporary technologies. They typically contain dozens to hundreds of species, involved in hundreds to thousands of reactions. Chemists and physicists have always been interested in what are now called chemical reduction techniques (CRT's). The idea of such CRT's is that they reduce the number of species that need to be considered explicitly without compromising the validity of the model. This is usually achieved on the basis of an analysis of the reaction time scales of the system under study, which identifies species that are in partial equilibrium after a given time span. The first such CRT that has been widely used in plasma physics was developed in the 1960's and resulted in the concept of effective ionization and recombination rates. It was later generalized to systems in which multiple levels are effected by transport. In recent years there has been a renewed interest in tools for chemical reduction and reaction pathway analysis. An example of the latter is the PumpKin tool. Another trend is that techniques that have previously been developed in other fields of science are adapted as to be able to handle the plasma state of matter. Examples are the Intrinsic Low Dimension Manifold (ILDM) method and its derivatives, which originate from combustion engineering, and the general-purpose Principle Component Analysis (PCA) technique. In this contribution we will provide an overview of the most common reduction techniques, then critically assess the pros and cons of the methods that have gained most popularity in recent years. Examples will be provided for plasmas in argon and carbon dioxide.

  8. Chemical environments of submarine hydrothermal systems

    Science.gov (United States)

    Shock, Everett L.

    1992-01-01

    Perhaps because black-smoker chimneys make tremendous subjects for magazine covers, the proposal that submarine hydrothermal systems were involved in the origin of life has caused many investigators to focus on the eye-catching hydrothermal vents. In much the same way that tourists rush to watch the spectacular eruptions of Old Faithful geyser with little regard for the hydrology of the Yellowstone basin, attention is focused on the spectacular, high-temperature hydrothermal vents to the near exclusion of the enormous underlying hydrothermal systems. Nevertheless, the magnitude and complexity of geologic structures, heat flow, and hydrologic parameters which characterize the geyser basins at Yellowstone also characterize submarine hydrothermal systems. However, in the submarine systems the scale can be considerably more vast. Like Old Faithful, submarine hydrothermal vents have a spectacular quality, but they are only one fascinating aspect of enormous geologic systems operating at seafloor spreading centers throughout all of the ocean basins. A critical study of the possible role of hydrothermal processes in the origin of life should include the full spectrum of probable environments. The goals of this chapter are to synthesize diverse information about the inorganic geochemistry of submarine hydrothermal systems, assemble a description of the fundamental physical and chemical attributes of these systems, and consider the implications of high-temperature, fluid-driven processes for organic synthesis. Information about submarine hydrothermal systems comes from many directions. Measurements made directly on venting fluids provide useful, but remarkably limited, clues about processes operating at depth. The oceanic crust has been drilled to approximately 2.0 km depth providing many other pieces of information, but drilling technology has not allowed the bore holes and core samples to reach the maximum depths to which aqueous fluids circulate in oceanic crust. Such

  9. Systems analysis of past, present, and future chemical terrorism scenarios.

    Energy Technology Data Exchange (ETDEWEB)

    Hoette, Trisha Marie

    2012-03-01

    Throughout history, as new chemical threats arose, strategies for the defense against chemical attacks have also evolved. As a part of an Early Career Laboratory Directed Research and Development project, a systems analysis of past, present, and future chemical terrorism scenarios was performed to understand how the chemical threats and attack strategies change over time. For the analysis, the difficulty in executing chemical attack was evaluated within a framework of three major scenario elements. First, historical examples of chemical terrorism were examined to determine how the use of chemical threats, versus other weapons, contributed to the successful execution of the attack. Using the same framework, the future of chemical terrorism was assessed with respect to the impact of globalization and new technologies. Finally, the efficacy of the current defenses against contemporary chemical terrorism was considered briefly. The results of this analysis justify the need for continued diligence in chemical defense.

  10. Chemical Carcinogenesis Research Information System (CCRIS)

    Data.gov (United States)

    U.S. Department of Health & Human Services — The CCRIS database contains chemical records with carcinogenicity, mutagenicity, tumor promotion, and tumor inhibition test results. CCRIS provides historical...

  11. Chemical Looping Combustion Reactions and Systems

    Energy Technology Data Exchange (ETDEWEB)

    Sarofim, Adel; Lighty, JoAnn; Smith, Philip; Whitty, Kevin; Eyring, Edward; Sahir, Asad; Alvarez, Milo; Hradisky, Michael; Clayton, Chris; Konya, Gabor; Baracki, Richard; Kelly, Kerry

    2014-03-01

    , they performed a sensitivity analysis for velocity, height and polydispersity and compared results against literature data for experimental studies of CLC beds with no reaction. Finally, they present an optimization space using simple non-reactive configurations. In Subtask 5.3, through a series of experimental studies, behavior of a variety of oxygen carriers with different loadings and manufacturing techniques was evaluated under both oxidizing and reducing conditions. The influences of temperature, degree of carrier conversion and thermodynamic driving force resulting from the difference between equilibrium and system O{sub 2} partial pressures were evaluated through several experimental campaigns, and generalized models accounting for these influences were developed to describe oxidation and oxygen release. Conversion of three solid fuels with widely ranging reactivities was studied in a small fluidized bed system, and all but the least reactive fuel (petcoke) were rapidly converted by oxygen liberated from the CLOU carrier. Attrition propensity of a variety of carriers was also studied, and the carriers produced by freeze granulation or impregnation of preformed substrates displayed the lowest rates of attrition. Subtask 5.4 focused on gathering kinetic data for a copper-based oxygen carrier to assist with modeling of a functioning chemical looping reactor. The kinetics team was also responsible for the development and analysis of supported copper oxygen carrier material.

  12. Transfer of chemicals in PWR systems: secondary side

    International Nuclear Information System (INIS)

    Jonas, O.

    1978-01-01

    Transfer of chemicals in the secondary side of pressurized water reactor systems with recirculating and once-through steam generators is considered. Chemical data on water, steam and deposit chemistry of twenty-six operating units are given and major physical-chemical processes and differences between the two systems and between fossil and PWR systems are discussed. It is concluded that the limited available data show the average water and steam chemistry to be within recommended limits, but large variations of impurity concentrations and corrosion problems encountered indicate that our knowledge of the system chemistry and chemical thermodynamics, system design, sampling, analysis and operation need improvement. (author)

  13. Chemical Looping Combustion Reactions and Systems

    Energy Technology Data Exchange (ETDEWEB)

    Sarofim, Adel; Lighty, JoAnn; Smith, Philip; Whitty, Kevin; Eyring, Edward; Sahir, Asad; Alvarez, Milo; Hradisky, Michael; Clayton, Chris; Konya, Gabor; Baracki, Richard; Kelly, Kerry

    2011-07-01

    Chemical Looping Combustion (CLC) is one promising fuel-combustion technology, which can facilitate economic CO2 capture in coal-fired power plants. It employs the oxidation/reduction characteristics of a metal, or oxygen carrier, and its oxide, the oxidizing gas (typically air) and the fuel source may be kept separate. This work focused on two classes of oxygen carrier, one that merely undergoes a change in oxidation state, such as Fe3O4/Fe2O3 and one that is converted from its higher to its lower oxidation state by the release of oxygen on heating, i.e., CuO/Cu2O. This topical report discusses the results of four complementary efforts: (1) the development of process and economic models to optimize important design considerations, such as oxygen carrier circulation rate, temperature, residence time; (2) the development of high-performance simulation capabilities for fluidized beds and the collection, parameter identification, and preliminary verification/uncertainty quantification (3) the exploration of operating characteristics in the laboratory-scale bubbling bed reactor, with a focus on the oxygen carrier performance, including reactivity, oxygen carrying capacity, attrition resistance, resistance to deactivation, cost and availability (4) the identification of mechanisms and rates for the copper, cuprous oxide, and cupric oxide system using thermogravimetric analysis.

  14. Culturing Security System of Chemical Laboratory in Indonesia

    Directory of Open Access Journals (Sweden)

    Eka Dian Pusfitasari

    2017-04-01

    Full Text Available Indonesia has experiences on the lack of chemical security such as: a number of bombing terrors and hazardous chemicals found in food. Bomb used in terror is a homemade bomb made from chemicals which are widely spread in the research laboratories such as a mixture of pottasium chlorate, sulphur, and alumunium. Therefore, security of chemicals should be implemented to avoid the misused of the chemicals. Although it has experienced many cases of the misuse of chemicals, and many regulations and seminars related to chemical security have been held, but the implementation of chemical security is still a new thing for Indonesian citizens. The evident is coming from the interviews conducted in this study. Questions asked in this interview/survey included: the implementation of chemical safety and chemical security in laboratory; chemical inventory system and its regulation; and training needed for chemical security implementation. Respondents were basically a researcher from Government Research Institutes, University laboratories, senior high school laboratories, and service laboratories were still ambiguous in distinguishing chemical safety and chemical security. Because of this condition, most Indonesia chemical laboratories did not totally apply chemical security system. Education is very important step to raise people awareness and address this problem. Law and regulations should be sustained by all laboratory personnel activities to avoid chemical diversion to be used for harming people and environment. The Indonesia Government could also develop practical guidelines and standards to be applied to all chemical laboratories in Indonesia. These acts can help Government’s efforts to promote chemical security best practices which usually conducted by doing seminars and workshop.

  15. Equilibrium Constant as Solution to the Open Chemical Systems

    OpenAIRE

    Zilbergleyt, B.

    2008-01-01

    According to contemporary views, equilibrium constant is relevant only to true thermodynamic equilibria in isolated systems with one chemical reaction. The paper presents a novel formula that ties-up equilibrium constant and chemical system composition at any state, isolated or open as well. Extending the logarithmic logistic map of the Discrete Thermodynamics of Chemical Equilibria, this formula maps the system population at isolated equilibrium into the population at any open equilibrium at...

  16. Thermo effect of chemical reaction in irreversible electrochemical systems

    International Nuclear Information System (INIS)

    Tran Vinh Quy; Nguyen Tang

    1989-01-01

    From first law of thermodynamics the expressions of statistical calculation of 'Fundamental' and 'Thermo-chemical' thermal effects are obtained. Besides, method of calculation of thermal effect of chemical reactions in non-equilibrium electro-chemical systems is accurately discussed. (author). 7 refs

  17. Hazard ranking systems for chemical wastes and chemical waste sites

    International Nuclear Information System (INIS)

    Waters, R.D.; Parker, F.L.; Crutcher, M.R.

    1991-01-01

    Hazardous materials and substances have always existed in the environment. Mankind has evolved to live with some degree of exposure to toxic materials. Until recently the risk has been from natural toxins or natural background radiation. While rapid technological advances over the past few decades have improved the lifestyle of our society, they have also dramatically increased the availability, volume and types of synthetic and natural hazardous materials. Many of their effects are as yet uncertain. Products and manufacturing by-products that no longer serve a useful purpose are deemed wastes. For some waste products land disposal will always be their ultimate fate. Hazardous substances are often included in the waste products. One needs to classify wastes by degree of hazard (risk). Risk (degree of probability of loss) is usually defined for risk assessment as probability of an occurrence times the consequences of the occurrence. Perhaps even more important than the definition of risk is the choice of a risk management strategy. The choice of strategy will be strongly influenced by the decision criteria used. Those decision criteria could be utility (the greatest happiness of the greatest number), rights or technology based or some combination of the three. It is necessary to make such choices about the definition of risks and criteria for management. It is clear that these are social (i.e., political) and value choices and science has little to say on this matter. This is another example of what Alvin Weinberg has named Transcience where the subject matter is scientific and technical but the choices are social, political and moral. This paper shall deal only with the scientific and technical aspects of the hazardous waste problem to create a hazardous substances classification system

  18. CHEMTRAN and the Interconversion of Chemical Substructure Systems

    Science.gov (United States)

    Granito, Charles E.

    1973-01-01

    The need for the interconversion of chemical substructure systems is discussed and CHEMTRAN, a new service, designed especially for creating interconversion programs, is introduced. (7 references) (Author)

  19. Construction of a Linux based chemical and biological information system.

    Science.gov (United States)

    Molnár, László; Vágó, István; Fehér, András

    2003-01-01

    A chemical and biological information system with a Web-based easy-to-use interface and corresponding databases has been developed. The constructed system incorporates all chemical, numerical and textual data related to the chemical compounds, including numerical biological screen results. Users can search the database by traditional textual/numerical and/or substructure or similarity queries through the web interface. To build our chemical database management system, we utilized existing IT components such as ORACLE or Tripos SYBYL for database management and Zope application server for the web interface. We chose Linux as the main platform, however, almost every component can be used under various operating systems.

  20. Chemical Stimulation of Engineered Geothermal Systems

    Energy Technology Data Exchange (ETDEWEB)

    Rose, Peter, E.

    2008-08-08

    The objective of this project is to design, develop and demonstrate methods for the chemical stimulation of candidate EGS reservoirs as well as the chemical treatment of mineral-scaled wellbores. First, a set of candidate chemical compounds capable of dissolving calcite was identified. A series of tests was then performed on each candidate in order to screen it for thermal stability and reactivity towards calcite. A detailed analysis was then performed on each compound that emerged from the screening tests in order to characterize its decay kinetics and reaction kinetics as functions of temperature and chemical composition. From among the compounds emerging from the laboratory studies, one compounds was chosen for a field experiment in order to verify the laboratory predictions.

  1. Development of clean chemical mechanical polishing systems; Clean CMP system

    Energy Technology Data Exchange (ETDEWEB)

    Tsujimura, M.; Hosokawa, M. [Ebara Corp., Tokyo (Japan)

    1998-10-20

    Described herein are clean chemical mechanical polishing (CMP) systems developed by Ebara. A CMP system needs advanced peripheral techniques, in addition to those for grinding adopted by the conventional system, in order to fully exhibit its inherent functions. An integrated design concept is essential for the CMP steps, including slurry supplying, polishing, washing, process controlling and waste fluid treatment. The Ebara has adopted a standard concept `Clean CMP, dry-in and dry-out of wafers,` and provided world`s highest grades of techniques for inter-layer insulating film, shallow trench isolation, plug and wiring. The head for the polishing module is specially designed by FEM, to improve homogeneity of wafers from the center to edges. The dresser is also specially designed, to improve pad surface topolody after dressing. A slurry dipsersing method is developed to reduce slurry consumption. Various washing modules, designed to have the same external shape, can be allocated to various functions. 10 figs.

  2. Dietary antioxidant synergy in chemical and biological systems.

    Science.gov (United States)

    Wang, Sunan; Zhu, Fan

    2017-07-24

    Antioxidant (AOX) synergies have been much reported in chemical ("test-tube" based assays focusing on pure chemicals), biological (tissue culture, animal and clinical models), and food systems during the past decade. Tentative synergies differ from each other due to the composition of AOX and the quantification methods. Regeneration mechanism responsible for synergy in chemical systems has been discussed. Solvent effects could contribute to the artifacts of synergy observed in the chemical models. Synergy in chemical models may hardly be relevant to biological systems that have been much less studied. Apparent discrepancies exist in understanding the molecular mechanisms in both chemical and biological systems. This review discusses diverse variables associated with AOX synergy and molecular scenarios for explanation. Future research to better utilize the synergy is suggested.

  3. Introducing DAE Systems in Undergraduate and Graduate Chemical Engineering Curriculum

    Science.gov (United States)

    Mandela, Ravi Kumar; Sridhar, L. N.; Rengaswamy, Raghunathan

    2010-01-01

    Models play an important role in understanding chemical engineering systems. While differential equation models are taught in standard modeling and control courses, Differential Algebraic Equation (DAE) system models are not usually introduced. These models appear naturally in several chemical engineering problems. In this paper, the introduction…

  4. Formal modeling of a system of chemical reactions under uncertainty.

    Science.gov (United States)

    Ghosh, Krishnendu; Schlipf, John

    2014-10-01

    We describe a novel formalism representing a system of chemical reactions, with imprecise rates of reactions and concentrations of chemicals, and describe a model reduction method, pruning, based on the chemical properties. We present two algorithms, midpoint approximation and interval approximation, for construction of efficient model abstractions with uncertainty in data. We evaluate computational feasibility by posing queries in computation tree logic (CTL) on a prototype of extracellular-signal-regulated kinase (ERK) pathway.

  5. Chemical Detection Architecture for a Subway System [video

    OpenAIRE

    Ignacio, Joselito; Center for Homeland Defense and Security Naval Postgraduate School

    2014-01-01

    This proposed system process aims to improve subway safety through better enabling the rapid detection and response to a chemical release in a subway system. The process is designed to be location-independent and generalized to most subway systems despite each system's unique characteristics.

  6. Study of Intelligent Secure Chemical Inventory Management System

    Science.gov (United States)

    Shukran, Mohd Afizi Mohd; Naim Abdullah, Muhammad; Nazri Ismail, Mohd; Maskat, Kamaruzaman; Isa, Mohd Rizal Mohd; Shahfee Ishak, Muhammad; Adib Khairuddin, Muhamad

    2017-08-01

    Chemical inventory management system has been experiencing a new revolution from traditional inventory system which is manual to an automated inventory management system. In this paper, some review of the classic and modern approaches to chemical inventory management system has been discussed. This paper also describe about both type of inventory management. After a comparative analysis of the traditional method and automated method, it can be said that both methods have some distinctive characteristics. Moreover, the automated inventory management method has higher accuracy of calculation because the calculations are handled by software, eliminating possible errors and saving time. The automated inventory system also allows users and administrators to track the availability, location and consumption of chemicals. The study of this paper can provide forceful review analysis support for the chemical inventory management related research.

  7. Conservation-dissipation structure of chemical reaction systems.

    Science.gov (United States)

    Yong, Wen-An

    2012-12-01

    In this Brief Report, we show that balanced chemical reaction systems governed by the law of mass action have an elegant conservation-dissipation structure. From this structure a number of important conclusions can be easily deduced. In particular, with the help of this structure we can rigorously justify the classical partial equilibrium approximation in chemical kinetics.

  8. Systems approach to chemical spill response information needs

    Energy Technology Data Exchange (ETDEWEB)

    Parnarouskis, M.C.; Flessner, M.F.; Potts, R.G.

    1980-01-01

    The Chemical Hazards Response Information System (CHRIS) has been specifically designed to meet the emergency needs of US Coast Guard field personnel, currently providing them with information on 900 hazardous chemicals, with methods of predicting hazards resulting from accidental discharges, and with procedures for selecting and implementing response to accident discharges. The major components of CHRIS and the computerized hazard assessment models within the Hazard Assessment Computer System are described in detail.

  9. On microscopic simulations of systems with model chemical reactions

    International Nuclear Information System (INIS)

    Gorecki, J.; Gorecka, J.N.

    1998-01-01

    Large scale computer simulations of model chemical systems play the role of idealized experiments in which theories may be tested. In this paper we present two applications of microscopic simulations based on the reactive hard sphere model. We investigate the influence of internal fluctuations on an oscillating chemical system and observe how they modify the phase portrait of it. Another application, we consider, is concerned with the propagation of a chemical wave front associated with a thermally activated reaction. It is shown that the nonequilibrium effects increase the front velocity if compared with the velocity of the front generated by a nonactivated process characterized by the same rate constant. (author)

  10. Soil chemical sensor and precision agricultural chemical delivery system and method

    Science.gov (United States)

    Colburn, Jr., John W.

    1991-01-01

    A real time soil chemical sensor and precision agricultural chemical delivery system includes a plurality of ground-engaging tools in association with individual soil sensors which measure soil chemical levels. The system includes the addition of a solvent which rapidly saturates the soil/tool interface to form a conductive solution of chemicals leached from the soil. A multivalent electrode, positioned within a multivalent frame of the ground-engaging tool, applies a voltage or impresses a current between the electrode and the tool frame. A real-time soil chemical sensor and controller senses the electrochemical reaction resulting from the application of the voltage or current to the leachate, measures it by resistivity methods, and compares it against pre-set resistivity levels for substances leached by the solvent. Still greater precision is obtained by calibrating for the secondary current impressed through solvent-less soil. The appropriate concentration is then found and the servo-controlled delivery system applies the appropriate amount of fertilizer or agricultural chemicals substantially in the location from which the soil measurement was taken.

  11. Chemical Kinetics of Progesterone Radioimmunoassay System

    International Nuclear Information System (INIS)

    Abdel-Fattah, A.A.; Moustsfs, K.A.; El-Kolally, M.T.

    2004-01-01

    Progesterone is one of the steroids secreted by the corpus Iuteum in females during the menstrual cycle, and in a much higher amount by the placenta during pregnancy. It is also secreted in a minor quantities by the adrenal cortex in both males and females. Measurement of serum progesterone represents one of diagnostic values in menstrual disorders and infertility. The progesterone radioimmunoassay is based on the competition between unlabelled progesterone and a fixed quantity of 125 I-labeled progesterone for a limited number of binding sites on progesterone specific antibody. Allowing for a fixed amount of magnetizable immunosorbent to react, the antigen-antibody complex is bound on solid particles which are then separated by magnetic rack, and the radioactivity of the solid phase was counted using gamma counter. In this work, the chemical kinetics of the assay was followed, where the specific rate constant (K) was calculated at 4 degree and 37 degree and the activation energy (E act ) were calculated and the reaction rate was deduced

  12. Mass transfer with chemical reaction in multiphase systems

    International Nuclear Information System (INIS)

    Alper, E.

    1983-01-01

    These volumes deal with the phenomenon of 'mass transfer with chemical reaction' which is of industrial, biological and physiological importance. In process engineering, it is encountered both in separation processes and in reaction engineering and both aspects are covered here in four sections: introduction; gas-liquid system; liquid-liquid system; and gas-liquid-solid system

  13. A review of chemical decontamination systems for nuclear facilities

    International Nuclear Information System (INIS)

    Chen, L.; Chamberlain, D.B.; Conner, C.; Vandegrift, G.F.

    1996-01-01

    With the downsizing of the Department of Energy (DOE) complex, many of its buildings and facilities will be decommissioned and dismantled. As part of this decommissioning, some form of decontamination will be required. To develop an appropriate technology for in situ chemical decontamination of equipment interiors in the decommissioning of DOE nuclear facilities, knowledge of the existing chemical decontamination methods is needed. This paper attempts to give an up-to-date review of chemical decontamination methods. This survey revealed that aqueous systems are the most widely used for the decontamination and cleaning of metal surfaces. We have subdivided the aqueous systems by types of chemical solvent: acid, alkaline permanganate, highly oxidizing, peroxide, and proprietary. Two other systems, electropolishing and foams and gels, are also described in this paper

  14. Development of a Persistent Chemical Agent Simulator System (PCASS)

    Science.gov (United States)

    Mcginness, W. G.

    1983-01-01

    The development of a persistent chemical agent simulation system (PCASS) is described. This PCASS is to be used for the military training of troops to simulate actual chemical warfare. The purpose of this system is to facilitate in the determination of chemical contamination and effectiveness of decontamination for training purposes. The fluorescent tracer employed has no daylight activation, but yet is easily removed with a decontaminate solution or water and surfactants. Also employed is a time delayed color developing system. When an individual is subjected to the PCASS and does not decontaminate adequately, red blotches or red coloration will develop as a function of time and temperature. The intent of this is to simulate the delayed chemical reaction of mustard contaminates.

  15. Temporal Control over Transient Chemical Systems using Structurally Diverse Chemical Fuels.

    Science.gov (United States)

    Chen, Jack L-Y; Maiti, Subhabrata; Fortunati, Ilaria; Ferrante, Camilla; Prins, Leonard J

    2017-08-25

    The next generation of adaptive, intelligent chemical systems will rely on a continuous supply of energy to maintain the functional state. Such systems will require chemical methodology that provides precise control over the energy dissipation process, and thus, the lifetime of the transiently activated function. This manuscript reports on the use of structurally diverse chemical fuels to control the lifetime of two different systems under dissipative conditions: transient signal generation and the transient formation of self-assembled aggregates. The energy stored in the fuels is dissipated at different rates by an enzyme, which installs a dependence of the lifetime of the active system on the chemical structure of the fuel. In the case of transient signal generation, it is shown that different chemical fuels can be used to generate a vast range of signal profiles, allowing temporal control over two orders of magnitude. Regarding self-assembly under dissipative conditions, the ability to control the lifetime using different fuels turns out to be particularly important as stable aggregates are formed only at well-defined surfactant/fuel ratios, meaning that temporal control cannot be achieved by simply changing the fuel concentration. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. [Prospects in getting accordance between chemical analytic control means and medical technical requirements to safety system concerning chemical weapons destruction].

    Science.gov (United States)

    Rembovskiĭ, V R; Mogilenkova, L A; Savel'eva, E I

    2005-01-01

    The major unit monitoring chemical weapons destruction objects is a system of chemical analyticcontrol over the technologic process procedures and possibility of environment and workplace pollution withtoxicchemicals and their destruction products. At the same time, physical and chemical control means meet sanitary and hygienic requirements incompletely. To provide efficient control, internationally recognized approaches should be adapted to features of Russian system monitoring pollution of chemical weapons destruction objects with toxic chemicals.

  17. Computational singular perturbation analysis of stochastic chemical systems with stiffness

    Science.gov (United States)

    Wang, Lijin; Han, Xiaoying; Cao, Yanzhao; Najm, Habib N.

    2017-04-01

    Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to not only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. The algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction.

  18. Engineered Barrier System: Physical and Chemical Environment Model

    International Nuclear Information System (INIS)

    Jolley, D. M.; Jarek, R.; Mariner, P.

    2004-01-01

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports

  19. Multi-scenario modelling of uncertainty in stochastic chemical systems

    International Nuclear Information System (INIS)

    Evans, R. David; Ricardez-Sandoval, Luis A.

    2014-01-01

    Uncertainty analysis has not been well studied at the molecular scale, despite extensive knowledge of uncertainty in macroscale systems. The ability to predict the effect of uncertainty allows for robust control of small scale systems such as nanoreactors, surface reactions, and gene toggle switches. However, it is difficult to model uncertainty in such chemical systems as they are stochastic in nature, and require a large computational cost. To address this issue, a new model of uncertainty propagation in stochastic chemical systems, based on the Chemical Master Equation, is proposed in the present study. The uncertain solution is approximated by a composite state comprised of the averaged effect of samples from the uncertain parameter distributions. This model is then used to study the effect of uncertainty on an isomerization system and a two gene regulation network called a repressilator. The results of this model show that uncertainty in stochastic systems is dependent on both the uncertain distribution, and the system under investigation. -- Highlights: •A method to model uncertainty on stochastic systems was developed. •The method is based on the Chemical Master Equation. •Uncertainty in an isomerization reaction and a gene regulation network was modelled. •Effects were significant and dependent on the uncertain input and reaction system. •The model was computationally more efficient than Kinetic Monte Carlo

  20. Compartmentalized self-replication under fast PCR cycling conditions yields Taq DNA polymerase mutants with increased DNA-binding affinity and blood resistance.

    Science.gov (United States)

    Arezi, Bahram; McKinney, Nancy; Hansen, Connie; Cayouette, Michelle; Fox, Jeffrey; Chen, Keith; Lapira, Jennifer; Hamilton, Sarah; Hogrefe, Holly

    2014-01-01

    Faster-cycling PCR formulations, protocols, and instruments have been developed to address the need for increased throughput and shorter turn-around times for PCR-based assays. Although run times can be cut by up to 50%, shorter cycle times have been correlated with lower detection sensitivity and increased variability. To address these concerns, we applied Compartmentalized Self Replication (CSR) to evolve faster-cycling mutants of Taq DNA polymerase. After five rounds of selection using progressively shorter PCR extension times, individual mutations identified in the fastest-cycling clones were randomly combined using ligation-based multi-site mutagenesis. The best-performing combinatorial mutants exhibit 35- to 90-fold higher affinity (lower Kd ) for primed template and a moderate (2-fold) increase in extension rate compared to wild-type Taq. Further characterization revealed that CSR-selected mutations provide increased resistance to inhibitors, and most notably, enable direct amplification from up to 65% whole blood. We discuss the contribution of individual mutations to fast-cycling and blood-resistant phenotypes.

  1. Versatile Dual Photoresponsive System for Precise Control of Chemical Reactions.

    Science.gov (United States)

    Xu, Can; Bing, Wei; Wang, Faming; Ren, Jinsong; Qu, Xiaogang

    2017-08-22

    A versatile method for photoregulation of chemical reactions was developed through a combination of near-infrared (NIR) and ultraviolet (UV) light sensitive materials. This regulatory effect was achieved through photoresponsive modulation of reaction temperature and pH values, two prominent factors influencing reaction kinetics. Photothermal nanomaterial graphene oxide (GO) and photobase reagent malachite green carbinol base (MGCB) were selected for temperature and pH regulation, respectively. Using nanocatalyst- and enzyme-mediated chemical reactions as model systems, we demonstrated the feasibility and high efficiency of this method. In addition, a photoresponsive, multifunctional "Band-aid"-like hydrogel platform was presented for programmable wound healing. Overall, this simple, efficient, and reversible system was found to be effective for controlling a wide variety of chemical reactions. Our work may provide a method for remote and sustainable control over chemical reactions for industrial and biomedical applications.

  2. Membrane-Organized Chemical Photoredox Systems

    Energy Technology Data Exchange (ETDEWEB)

    Hurst, James K.

    2014-09-18

    This project has three interrelated goals relevant to solar water photolysis, which are to develop: (1) vesicle-organized assemblies for H2 photoproduction that utilize pyrylium and structurally related compounds as combined photosensitizers and cyclic electroneutral transmembrane electron carriers; (2) transmembrane redox systems whose reaction rates can be modulated by light; and (3) homogeneous catalysts for water oxidation. . In area (1), initial efforts to photogenerate H2 from vectorially-organized vesicles containing occluded colloidal Pt and commonly available pyrylium ions as transmembrane redox mediators were unsuccessful. New pyrylium compounds with significantly lower reduction potentials have been synthesized to address this problem, their apparent redox potentials in functioning systems have been now evaluated by using a series of occluded viologens, and H2 photoproduction has been demonstrated in continuous illumination experiments. In area (2), spirooxazine-quinone dyads have been synthesized and their capacity to function as redox mediators across bilayer membranes has been evaluated through continuous photolysis and transient spectrophotometric measurements. Photoisomerization of the spiro moiety to the ring-open mero form caused net quantum yields to decrease significantly, providing a basis for photoregulation of transmembrane redox. Research on water oxidation (area 3) has been directed at understanding mechanisms of catalysis by cis,cis-[(bpy)2Ru(OH2)]2O4+ and related polyimine complexes. Using a variety of physical techniques, we have: (i) identified the redox state of the complex ion that is catalytically active; (ii) shown using 18O isotopic labeling that there are two reaction pathways, both of which involve participation of solvent H2O; and (iii) detected and characterized by EPR and resonance Raman spectroscopies new species which may be key intermediates in the catalytic cycle.

  3. A survey of chemicals inducing lipid peroxidation in biological systems.

    Science.gov (United States)

    Kappus, H

    1987-01-01

    A great number of drugs and chemicals are reviewed which have been shown to stimulate lipid peroxidation in any biological system. The underlying mechanisms, as far as known, are also dealt with. Lipid peroxidation induced by iron ions, organic hydroperoxides, halogenated hydrocarbons, redox cycling drugs, glutathione depleting chemicals, ethanol, heavy metals, ozone, nitrogen dioxide and a number of miscellaneous compounds, e.g. hydrazines, pesticides, antibiotics, are mentioned. It is shown that lipid peroxidation is stimulated by many of these compounds. However, quantitative estimates cannot be given yet and it is still impossible to judge the biological relevance of chemical-induced lipid peroxidation.

  4. Developing chemical information system; Henbosuru kagaku joho -intanetto no sekai

    Energy Technology Data Exchange (ETDEWEB)

    Chihara, H.

    1999-12-01

    With the internet's popularization, the chemical information system greatly changes. In this paper, recent development of a chemical information system using the internet is summarized. To begin with, the kinds of online information systems using WWW and how to use them are described. Next, features of the electronic journals and how to use them are described. Next, CAS and STN as internet editions of the secondary information are introduced. Next, the Scifinder and the SciFinder Scholar which CAS developed as information retrieval tools for researcher are explained well. Next, ISI and DIALOG are introduced as information retrieval services of the other web editions. Finally, realization of retrieval and display of the English database by Japanese and preparation of a fact database such as density, boiling point, spectra, etc. and the offer of them by the internet are mentioned as a future image of chemical information systems. (NEDO)

  5. Radiolytic production of chemical fuels in fusion reactor systems

    Energy Technology Data Exchange (ETDEWEB)

    Fish, J D

    1977-06-01

    Miley's energy flow diagram for fusion reactor systems is extended to include radiolytic production of chemical fuel. Systematic study of the economics and the overall efficiencies of fusion reactor systems leads to a criterion for evaluating the potential of radiolytic production of chemical fuel as a means of enhancing the performance of a fusion reactor system. The ecumenicity of the schema is demonstrated by application to (1) tokamaks, (2) mirror machines, (3) theta-pinch reactors, (4) laser-heated solenoids, and (5) inertially confined, laser-pellet devices. Pure fusion reactors as well as fusion-fission hybrids are considered.

  6. Radiolytic production of chemical fuels in fusion reactor systems

    International Nuclear Information System (INIS)

    Fish, J.D.

    1977-06-01

    Miley's energy flow diagram for fusion reactor systems is extended to include radiolytic production of chemical fuel. Systematic study of the economics and the overall efficiencies of fusion reactor systems leads to a criterion for evaluating the potential of radiolytic production of chemical fuel as a means of enhancing the performance of a fusion reactor system. The ecumenicity of the schema is demonstrated by application to (1) tokamaks, (2) mirror machines, (3) theta-pinch reactors, (4) laser-heated solenoids, and (5) inertially confined, laser-pellet devices. Pure fusion reactors as well as fusion-fission hybrids are considered

  7. Temperature lowering in cryogenic chemical-synthesis techniques and system

    International Nuclear Information System (INIS)

    Martinez, H.E.; Nelson, T.O.; Vikdal, L.N.

    1993-01-01

    When evaluating a chemical synthesis process for a reaction that occurs on the cryogenically cooled walls, it is sometimes necessary to reduce the wall temperatures to enhance the chemical process. To evaluate the chemical process at lower than atmospheric boiling of liquid nitrogen, we built a system and used it to reduce the temperature of the liquid nitrogen. The technique of lowering the liquid nitrogen temperature by reducing the pressure of the boil-off is established knowledge. This paper presents the engineering aspects of the system, design features, equipment requirements, methods of control, and results of the chemical synthesis. The heat input to the system was ∼400 watts, placing a relatively large demand on the pumping system. Our system is a scale-up of the small laboratory experiment, and it provides the information needed to design an effective system. The major problem encountered was the large quantity of liquid escaping the system during the processing, placing a large gas load on the vacuum system

  8. Chemical and Metallurgy Research (CMR) Sample Tracking System Design Document

    International Nuclear Information System (INIS)

    Bargelski, C. J.; Berrett, D. E.

    1998-01-01

    The purpose of this document is to describe the system architecture of the Chemical and Metallurgy Research (CMR) Sample Tracking System at Los Alamos National Laboratory. During the course of the document observations are made concerning the objectives, constraints and limitations, technical approaches, and the technical deliverables

  9. Stochastic thermodynamics and entropy production of chemical reaction systems

    Science.gov (United States)

    Tomé, Tânia; de Oliveira, Mário J.

    2018-06-01

    We investigate the nonequilibrium stationary states of systems consisting of chemical reactions among molecules of several chemical species. To this end, we introduce and develop a stochastic formulation of nonequilibrium thermodynamics of chemical reaction systems based on a master equation defined on the space of microscopic chemical states and on appropriate definitions of entropy and entropy production. The system is in contact with a heat reservoir and is placed out of equilibrium by the contact with particle reservoirs. In our approach, the fluxes of various types, such as the heat and particle fluxes, play a fundamental role in characterizing the nonequilibrium chemical state. We show that the rate of entropy production in the stationary nonequilibrium state is a bilinear form in the affinities and the fluxes of reaction, which are expressed in terms of rate constants and transition rates, respectively. We also show how the description in terms of microscopic states can be reduced to a description in terms of the numbers of particles of each species, from which follows the chemical master equation. As an example, we calculate the rate of entropy production of the first and second Schlögl reaction models.

  10. A portable system for nuclear, chemical agent, and explosives identification

    International Nuclear Information System (INIS)

    Parker, W.E.; Buckley, W.M.; Kreek, S.A.; Mauger, G.J.; Lavietes, A.D.; Dougan, A.D.; Caffrey, A.J.

    2001-01-01

    The FRIS/PINS hybrid integrates the LLNL-developed Field Radionuclide Identification System (FRIS) with the INEEL-developed Portable Isotopic Neutron Spectroscopy (PINS) chemical assay system to yield a combined general radioisotope, special nuclear material, and chemical weapons/explosives detection and identification system. The PINS system uses a neutron source and a high-purity germanium γ-ray detector. The FRIS system uses an electromechanically cooled germanium detector and its own analysis software to detect and identify special nuclear material and other radioisotopes. The FRIS/PINS combined system also uses the electromechanically-cooled germanium detector. There is no other currently available integrated technology that can combine a prompt-gamma neutron-activation analysis capability for CWE with a passive radioisotope measurement and identification capability for special nuclear material

  11. A Portable System for Nuclear, Chemical Agent and Explosives Identification

    International Nuclear Information System (INIS)

    Parker, W.E.; Buckley, W.M.; Kreek, S.A.; Caffrey, A.J.; Mauger, G.J.; Lavietes, A.D.; Dougan, A.D.

    2000-01-01

    The FRIS/PINS hybrid integrates the LLNL-developed Field Radionuclide Identification System (FRIS) with the INEEL-developed Portable Isotopic Neutron Spectroscopy (PINS) chemical assay system to yield a combined general radioisotope, special nuclear material, and chemical weapons/explosives detection and identification system. The PINS system uses a neutron source and a high-purity germanium γ-ray detector. The FRIS system uses an electrochemically cooled germanium detector and its own analysis software to detect and identify special nuclear material and other radioisotopes. The FRIS/PINS combined system also uses the electromechanically-cooled germanium detector. There is no other currently available integrated technology that can combine an active neutron interrogation and analysis capability for CWE with a passive radioisotope measurement and identification capability for special nuclear material

  12. Process Control Systems in the Chemical Industry: Safety vs. Security

    Energy Technology Data Exchange (ETDEWEB)

    Jeffrey Hahn; Thomas Anderson

    2005-04-01

    Traditionally, the primary focus of the chemical industry has been safety and productivity. However, recent threats to our nation’s critical infrastructure have prompted a tightening of security measures across many different industry sectors. Reducing vulnerabilities of control systems against physical and cyber attack is necessary to ensure the safety, security and effective functioning of these systems. The U.S. Department of Homeland Security has developed a strategy to secure these vulnerabilities. Crucial to this strategy is the Control Systems Security and Test Center (CSSTC) established to test and analyze control systems equipment. In addition, the CSSTC promotes a proactive, collaborative approach to increase industry's awareness of standards, products and processes that can enhance the security of control systems. This paper outlines measures that can be taken to enhance the cybersecurity of process control systems in the chemical sector.

  13. Hyperchaos and chaotic hierarchy in low-dimensional chemical systems

    Science.gov (United States)

    Baier, Gerold; Sahle, Sven

    1994-06-01

    Chemical reaction chains with feedback of one of the products on the source of the chain are considered. A strategy is presented in terms of ordinary differential equations which creates one, two, and three positive Lyapunov exponents as the finite dimension of the system is increased. In particular, a nonlinear inhibition loop in a chemical reaction sequence controls the type of chaos. The bifurcation scenarios are studied and chaos and hyperchaos are found for broad regions of bifurcation parameter. Some implications for the occurrence of higher chaos in real systems are discussed.

  14. Chemical Engineering Education in a Bologna Three Cycle Degree System

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    For the purpose of harmonization of European higher education, Europe’s education system has been going through major changes under what is commonly known as the ”Bologna Process”. The Bologna declaration in 1999 was the start of the introduction of a three cycle degree system in higher education...... in Europe. To date, many European universities have adopted this degree structure. The Working Party on Education (WPE) of the European Federation of Chemical Engineering (EFCE) carried out research to determine the contents of higher education in chemical engineering (ChE) and related disciplines...... such as applied chemistry and process engineering throughout Europe. The result has been a set of recommendations for the first (BS), second (MS) and third (PhD) cycle chemical engineering education aligned to the Bologna Process. They recommend that students studying towards bachelor and masters qualifications...

  15. Insect-gene-activity detection system for chemical and biological warfare agents and toxic industrial chemicals

    Science.gov (United States)

    Mackie, Ryan S.; Schilling, Amanda S.; Lopez, Arturo M.; Rayms-Keller, Alfredo

    2002-02-01

    Detection of multiple chemical and biological weapons (CBW) agents and/or complex mixtures of toxic industrial chemicals (TIC) is imperative for both the commercial and military sectors. In a military scenario, a multi-CBW attack would create confusion, thereby delaying decontamination and therapeutic efforts. In the commercial sector, polluted sites invariably contain a mixture of TIC. Novel detection systems capable of detecting CBW and TIC are sorely needed. While it may be impossible to build a detector capable of discriminating all the possible combinations of CBW, a detection system capable of statistically predicting the most likely composition of a given mixture is within the reach of current emerging technologies. Aquatic insect-gene activity may prove to be a sensitive, discriminating, and elegant paradigm for the detection of CBW and TIC. We propose to systematically establish the expression patterns of selected protein markers in insects exposed to specific mixtures of chemical and biological warfare agents to generate a library of biosignatures of exposure. The predicting capabilities of an operational library of biosignatures of exposures will allow the detection of emerging novel or genetically engineered agents, as well as complex mixtures of chemical and biological weapons agents. CBW and TIC are discussed in the context of war, terrorism, and pollution.

  16. Engineered Barrier System: Physical and Chemical Environment Model

    Energy Technology Data Exchange (ETDEWEB)

    D. M. Jolley; R. Jarek; P. Mariner

    2004-02-09

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.

  17. The periodic system of chemical elements: old and new developments

    International Nuclear Information System (INIS)

    Kibler, M.

    1987-09-01

    Some historical facts about the construction of a periodic system of chemical elements are reviewed. The Madelung rule is used to generate an unusual format for the periodic table. Following the work of Byakov, Kulakov, Rumer and Fet, such a format is further refined on the basis of a chain of groups starting with SU(2)xS0(4.2)

  18. Computer program determines chemical composition of physical system at equilibrium

    Science.gov (United States)

    Kwong, S. S.

    1966-01-01

    FORTRAN 4 digital computer program calculates equilibrium composition of complex, multiphase chemical systems. This is a free energy minimization method with solution of the problem reduced to mathematical operations, without concern for the chemistry involved. Also certain thermodynamic properties are determined as byproducts of the main calculations.

  19. Release mitigation spray safety systems for chemical demilitarization applications.

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, Jonathan; Tezak, Matthew Stephen; Brockmann, John E.; Servantes, Brandon; Sanchez, Andres L.; Tucker, Mark David; Allen, Ashley N.; Wilson, Mollye C.; Lucero, Daniel A.; Betty, Rita G.

    2010-06-01

    Sandia National Laboratories has conducted proof-of-concept experiments demonstrating effective knockdown and neutralization of aerosolized CBW simulants using charged DF-200 decontaminant sprays. DF-200 is an aqueous decontaminant, developed by Sandia National Laboratories, and procured and fielded by the US Military. Of significance is the potential application of this fundamental technology to numerous applications including mitigation and neutralization of releases arising during chemical demilitarization operations. A release mitigation spray safety system will remove airborne contaminants from an accidental release during operations, to protect personnel and limit contamination. Sandia National Laboratories recently (November, 2008) secured funding from the US Army's Program Manager for Non-Stockpile Chemical Materials Agency (PMNSCMA) to investigate use of mitigation spray systems for chemical demilitarization applications. For non-stockpile processes, mitigation spray systems co-located with the current Explosive Destruction System (EDS) will provide security both as an operational protective measure and in the event of an accidental release. Additionally, 'tented' mitigation spray systems for native or foreign remediation and recovery operations will contain accidental releases arising from removal of underground, unstable CBW munitions. A mitigation spray system for highly controlled stockpile operations will provide defense from accidental spills or leaks during routine procedures.

  20. Fourier transform infrared spectra applications to chemical systems

    CERN Document Server

    Ferraro, John R

    1978-01-01

    Fourier Transform Infrared Spectroscopy: Applications to Chemical Systems presents the chemical applications of the Fourier transform interferometry (FT-IR).The book contains discussions on the applications of FT-IR in the fields of chromatography FT-IR, polymers and biological macromolecules, emission spectroscopy, matrix isolation, high-pressure interferometry, and far infrared interferometry. The final chapter is devoted to the presentation of the use of FT-IR in solving national technical problems such as air pollution, space exploration, and energy related subjects.Researc

  1. CMOS-MEMS Chemiresistive and Chemicapacitive Chemical Sensor System

    Science.gov (United States)

    Lazarus, Nathan S.

    Integrating chemical sensors with testing electronics is a powerful technique with the potential to lower power and cost and allow for lower system limits of detection. This thesis explores the possibility of creating an integrated sensor system intended to be embedded within respirator cartridges to notify the user that hazardous chemicals will soon leak into the face mask. For a chemical sensor designer, this application is particularly challenging due to the need for a very sensitive and cheap sensor that will be exposed to widely varying environmental conditions during use. An octanethiol-coated gold nanoparticle chemiresistor to detect industrial solvents is developed, focusing on characterizing the environmental stability and limits of detection of the sensor. Since the chemiresistor was found to be highly sensitive to water vapor, a series of highly sensitive humidity sensor topologies were developed, with sensitivities several times previous integrated capacitive humidity sensors achieved. Circuit techniques were then explored to reduce the humidity sensor limits of detection, including the analysis of noise, charge injection, jitter and clock feedthrough in a charge-based capacitance measurement (CBCM) circuit and the design of a low noise Colpitts LC oscillator. The characterization of high resistance gold nanoclusters for capacitive chemical sensing was also performed. In the final section, a preconcentrator, a heater element intended to release a brief concentrated pulse of analate, was developed and tested for the purposes of lowering the system limit of detection.

  2. Test plan for Digface Chemical and Radiation Assay System

    International Nuclear Information System (INIS)

    Akers, D.W.

    1993-07-01

    The Digface Chemical and Radiation Assay System (CRAS) Project will develop a sensor using Prompt Gamma Neutron Activation Analysis (PGNAA) that can detect the present of hazardous chemicals and radioactive materials. The CRAS is being designed for in situ assay of closed drums and contaminated soils for gamma-ray emitting radionuclides and hazardous elements. The CRAS is based upon the use of 252 Cf PGNAA with a germanium gamma-ray spectrometer as the analyzer. Tasks being performed include determining detection limits for a number of hazardous chemicals and assessing matrix and transmission effects through soil. Initial analyses suggest that the technique is applicable to a number of hazardous materials such as trichloroethane and carbon tetrachloride

  3. Where do organic chemicals found in soil systems come from

    International Nuclear Information System (INIS)

    Dragun, J.; Mason, S.A.; Barkach, J.H.

    1991-01-01

    Today's regulatory climate encourages the private sector to assess the environmental condition of their facilities. An environmental assessment often includes the collection of soil samples. Despite the trend to obtain reams of numbers to show the presence of chemicals, many misconceptions exist among environmental scientists and engineers regarding the interpretation of those numbers. The presence of organic chemicals in soil may or may not be problematic. This depends primarily upon the source. If an industrial point source is responsible for the spill or bulk release, then remedial activity usually ensues. However, if the source is not an industrial release, then remedial activity may not be required. This paper will briefly discuss the sources, other than industrial point sources, responsible for the presence of organic chemicals in soil systems

  4. Performance metrics for the evaluation of hyperspectral chemical identification systems

    Science.gov (United States)

    Truslow, Eric; Golowich, Steven; Manolakis, Dimitris; Ingle, Vinay

    2016-02-01

    Remote sensing of chemical vapor plumes is a difficult but important task for many military and civilian applications. Hyperspectral sensors operating in the long-wave infrared regime have well-demonstrated detection capabilities. However, the identification of a plume's chemical constituents, based on a chemical library, is a multiple hypothesis testing problem which standard detection metrics do not fully describe. We propose using an additional performance metric for identification based on the so-called Dice index. Our approach partitions and weights a confusion matrix to develop both the standard detection metrics and identification metric. Using the proposed metrics, we demonstrate that the intuitive system design of a detector bank followed by an identifier is indeed justified when incorporating performance information beyond the standard detection metrics.

  5. Chemical Enrichment of the Solar System by Stellar Ejecta

    Science.gov (United States)

    Kwok, Sun

    2015-03-01

    Spectroscopic observations of evolved stars have shown signatures of aromatic and aliphatic compounds. This suggests that complex organics with chemical structures similar to those of insoluble organic matter (IOM) found in carbonaceous meteorites are made in stars. This raises the possibility that in addition to known pre-solar grains such as silicon carbide, organic star dust may also have traveled across the Galaxy to the Solar System.

  6. Combustion chemical vapor desposited coatings for thermal barrier coating systems

    Energy Technology Data Exchange (ETDEWEB)

    Hampikian, J.M.; Carter, W.B. [Georgia Institute of Technology, Atlanta, GA (United States)

    1995-10-01

    The new deposition process, combustion chemical vapor deposition, shows a great deal of promise in the area of thermal barrier coating systems. This technique produces dense, adherent coatings, and does not require a reaction chamber. Coatings can therefore be applied in the open atmosphere. The process is potentially suitable for producing high quality CVD coatings for use as interlayers between the bond coat and thermal barrier coating, and/or as overlayers, on top of thermal barrier coatings.

  7. Mechanical and chemical spinodal instabilities in finite quantum systems

    International Nuclear Information System (INIS)

    Colonna, M.; Chomaz, Ph.; Ayik, S.

    2001-01-01

    Self consistent quantum approaches are used to study the instabilities of finite nuclear systems. The frequencies of multipole density fluctuations are determined as a function of dilution and temperature, for several isotopes. The spinodal region of the phase diagrams is determined and it appears reduced by finite size effects. The role of surface and volume instabilities is discussed. Important chemical effects are associated with mechanical disruption and may lead to isospin fractionation. (authors)

  8. Engineered Barrier System Thermal-Hydraulic-Chemical Column Test Report

    International Nuclear Information System (INIS)

    W.E. Lowry

    2001-01-01

    The Engineered Barrier System (EBS) Thermal-Hydraulic-Chemical (THC) Column Tests provide data needed for model validation. The EBS Degradation, Flow, and Transport Process Modeling Report (PMR) will be based on supporting models for in-drift THC coupled processes, and the in-drift physical and chemical environment. These models describe the complex chemical interaction of EBS materials, including granular materials, with the thermal and hydrologic conditions that will be present in the repository emplacement drifts. Of particular interest are the coupled processes that result in mineral and salt dissolution/precipitation in the EBS environment. Test data are needed for thermal, hydrologic, and geochemical model validation and to support selection of introduced materials (CRWMS M and O 1999c). These column tests evaluated granular crushed tuff as potential invert ballast or backfill material, under accelerated thermal and hydrologic environments. The objectives of the THC column testing are to: (1) Characterize THC coupled processes that could affect performance of EBS components, particularly the magnitude of permeability reduction (increases or decreases), the nature of minerals produced, and chemical fractionation (i.e., concentrative separation of salts and minerals due to boiling-point elevation). (2) Generate data for validating THC predictive models that will support the EBS Degradation, Flow, and Transport PMR, Rev. 01

  9. Building an R&D chemical registration system.

    Science.gov (United States)

    Martin, Elyette; Monge, Aurélien; Duret, Jacques-Antoine; Gualandi, Federico; Peitsch, Manuel C; Pospisil, Pavel

    2012-05-31

    Small molecule chemistry is of central importance to a number of R&D companies in diverse areas such as the pharmaceutical, nutraceutical, food flavoring, and cosmeceutical industries. In order to store and manage thousands of chemical compounds in such an environment, we have built a state-of-the-art master chemical database with unique structure identifiers. Here, we present the concept and methodology we used to build the system that we call the Unique Compound Database (UCD). In the UCD, each molecule is registered only once (uniqueness), structures with alternative representations are entered in a uniform way (normalization), and the chemical structure drawings are recognizable to chemists and to a cartridge. In brief, structural molecules are entered as neutral entities which can be associated with a salt. The salts are listed in a dictionary and bound to the molecule with the appropriate stoichiometric coefficient in an entity called "substance". The substances are associated with batches. Once a molecule is registered, some properties (e.g., ADMET prediction, IUPAC name, chemical properties) are calculated automatically. The UCD has both automated and manual data controls. Moreover, the UCD concept enables the management of user errors in the structure entry by reassigning or archiving the batches. It also allows updating of the records to include newly discovered properties of individual structures. As our research spans a wide variety of scientific fields, the database enables registration of mixtures of compounds, enantiomers, tautomers, and compounds with unknown stereochemistries.

  10. Building an R&D chemical registration system

    Directory of Open Access Journals (Sweden)

    Martin Elyette

    2012-05-01

    Full Text Available Abstract Small molecule chemistry is of central importance to a number of R&D companies in diverse areas such as the pharmaceutical, nutraceutical, food flavoring, and cosmeceutical industries. In order to store and manage thousands of chemical compounds in such an environment, we have built a state-of-the-art master chemical database with unique structure identifiers. Here, we present the concept and methodology we used to build the system that we call the Unique Compound Database (UCD. In the UCD, each molecule is registered only once (uniqueness, structures with alternative representations are entered in a uniform way (normalization, and the chemical structure drawings are recognizable to chemists and to a cartridge. In brief, structural molecules are entered as neutral entities which can be associated with a salt. The salts are listed in a dictionary and bound to the molecule with the appropriate stoichiometric coefficient in an entity called “substance”. The substances are associated with batches. Once a molecule is registered, some properties (e.g., ADMET prediction, IUPAC name, chemical properties are calculated automatically. The UCD has both automated and manual data controls. Moreover, the UCD concept enables the management of user errors in the structure entry by reassigning or archiving the batches. It also allows updating of the records to include newly discovered properties of individual structures. As our research spans a wide variety of scientific fields, the database enables registration of mixtures of compounds, enantiomers, tautomers, and compounds with unknown stereochemistries.

  11. Full system chemical decontamination used in nuclear decommissioning

    International Nuclear Information System (INIS)

    Elder, George; Rottner, Bernard; Braehler, Georg

    2012-01-01

    The decommissioning of nuclear power stations at the end of the operational period of electricity generation offers technical challenges in the safe dismantling of the facility and the minimization of radioactive waste arising from the decommissioning activities. These challenges have been successfully overcome as demonstrated by decommissioning of the first generation of nuclear power plants. One of the techniques used in decommissioning is that of chemical decontamination which has a number of functions and advantages as given here: 1. Removal of contamination from metal surfaces in the reactors cooling systems. 2. Reduction of radioactive exposure to decommissioning workers 3. Minimization of metal waste by decontamination and recycling of metal components 4. Control of contamination when dismantling reactor and waste systems 5. Reduction in costs due to lower radiation fields, lower contamination levels and minimal metal waste volume for disposal. One such chemical decontamination technology was developed for the Electric Power Research Institute (EPRI) by Bradtec (Bradtec is an ONET Technologies subsidiary) and is known as the EPRI DFD system. This paper gives a description of the EPRI DFD system, and highlights the experience using the system. (orig.)

  12. Modelling of the chemical state in groundwater infiltration systems

    International Nuclear Information System (INIS)

    Zysset, A.

    1993-01-01

    Groundwater is replenished by water stemming either from precipitations, lakes or rivers. The area where such an infiltration occurs is characterized by a change in the environmental conditions, such as a decrease of the flow velocity and an increase in the solid surface marking the boundary of the flow field. With these changes new chemical processes may become relevant to the transport behavior of contaminants. Since the rates of chemical processes usually are a function of the concentrations of several species, an understanding of infiltration sites may require a multicomponent approach. The present study aims at formulating a mathematical model together with its numerical solution for groundwater infiltration sites. Such a model should improve the understanding of groundwater quality changes related to infiltrating contaminants. The groundwater quality is of vital interest to men because at many places most of the drinking water originates from groundwater. In the first part of the present study two partial models are formulated: one accounting for the transport in a one-dimensional, homogeneous and saturated porous medium, the other accounting for chemical reactions. This second model is initially stated for general kinetic systems. Then, it is specified for two systems, namely for a system governed only by reactions which are fast compared to the transport processes and for a system with biologically mediated redox reactions of dissolved substrates. In the second part of the study a numerical solution to the model is developed. For this purpose, the two partial models are coupled. The coupling is either iterative as in the case of a system with fast reactions or sequential as in all other cases. The numerical solutions of simple test cases are compared to analytical solutions. In the third part the model is evaluated using observations of infiltration sites reported in the literature. (author) figs., tabs., 155 refs

  13. Self-regulating chemo-mechano-chemical systems

    Science.gov (United States)

    Aizenberg, Joanna; He, Ximin; Aizenberg, Michael

    2017-05-16

    A chemo-mechano-chemical (C.sub.1-M-C.sub.2) system includes a base supporting an actuatable structure, said structure comprising a functionalized portion and being embedded in an environmentally responsive gel capable of volume change in response to an environmental stimulus; a first fluid layer disposed over the base and in contact with the actuatable structure, said first fluid layer comprising the environmentally responsive gel; and a second fluid layer in contact with the actuatable structure, wherein the layers are positioned such that the functionalized portion is in contact with the second layer in a first relaxed state and in contact with the first layer in a second actuated state and wherein the functionalized portion interacts with at least one of the layers to provide a chemical or physical response.

  14. Tillage, fertilization systems and chemical attributes of a Paleudult

    Directory of Open Access Journals (Sweden)

    Evelyn Penedo Dorneles

    2015-02-01

    Full Text Available Tillage and fertilization methods may affect soil fertility. With the aim of assessing changes in soil chemical properties over a period of ten years, soil samples of a Paleudult were collected over nine seasons at three layer depths (0-5, 5-10, 10-20 cm and were chemically analyzed. Grain yield and nutrient export in two summer crops, soybean (Glycine max and corn (Zea mays, in a field experiment set in Eldorado do Sul, in the state of Rio Grande do Sul, Brazil, were determined. Three soil tillage systems were evaluated, conventional (CT, reduced (RT and no-tillage (NT, combined with mineral (lime and fertilizers and organic (poultry litter fertilization. The no-tillage system stood out as compared to the others, especially in the surface layer, in terms of values of organic matter, soil pH, available phosphorus, cation exchange capacity and base saturation. Phosphorus content was higher under organic than mineral fertilization due to the criteria used for the establishment of fertilizer doses. Under organic fertilization, soil pH values were similar to those obtained in limed soil samples because of the cumulative effect of the organic fertilizer. Soybean yield was lower under NT in comparison to the RT and CT systems. Consequently, soybean grain exported a lower content of nutrients than maize grain. Maize yield was not affected by either tillage or fertilization systems.

  15. Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

    International Nuclear Information System (INIS)

    Westbrook, C.K.

    2000-01-01

    Chemical kinetic factors of hydrocarbon oxidation are examined in a variety of ignition problems. Ignition is related to the presence of a dominant chain branching reaction mechanism that can drive a chemical system to completion in a very short period of time. Ignition in laboratory environments is studied for problems including shock tubes and rapid compression machines. Modeling of the laboratory systems are used to develop kinetic models that can be used to analyze ignition in practical systems. Two major chain branching regimes are identified, one consisting of high temperature ignition with a chain branching reaction mechanism based on the reaction between atomic hydrogen with molecular oxygen, and the second based on an intermediate temperature thermal decomposition of hydrogen peroxide. Kinetic models are then used to describe ignition in practical combustion environments, including detonations and pulse combustors for high temperature ignition, and engine knock and diesel ignition for intermediate temperature ignition. The final example of ignition in a practical environment is homogeneous charge, compression ignition (HCCI) which is shown to be a problem dominated by the kinetics intermediate temperature hydrocarbon ignition. Model results show why high hydrocarbon and CO emissions are inevitable in HCCI combustion. The conclusion of this study is that the kinetics of hydrocarbon ignition are actually quite simple, since only one or two elementary reactions are dominant. However, there are many combustion factors that can influence these two major reactions, and these are the features that vary from one practical system to another

  16. Virtual Exploration of the Ring Systems Chemical Universe.

    Science.gov (United States)

    Visini, Ricardo; Arús-Pous, Josep; Awale, Mahendra; Reymond, Jean-Louis

    2017-11-27

    Here, we explore the chemical space of all virtually possible organic molecules focusing on ring systems, which represent the cyclic cores of organic molecules obtained by removing all acyclic bonds and converting all remaining atoms to carbon. This approach circumvents the combinatorial explosion encountered when enumerating the molecules themselves. We report the chemical universe database GDB4c containing 916 130 ring systems up to four saturated or aromatic rings and maximum ring size of 14 atoms and GDB4c3D containing the corresponding 6 555 929 stereoisomers. Almost all (98.6%) of these ring systems are unknown and represent chiral 3D-shaped macrocycles containing small rings and quaternary centers reminiscent of polycyclic natural products. We envision that GDB4c can serve to select new ring systems from which to design analogs of such natural products. The database is available for download at www.gdb.unibe.ch together with interactive visualization and search tools as a resource for molecular design.

  17. 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

  18. Intelligent Chemical Sensor Systems for In-space Safety Applications

    Science.gov (United States)

    Hunter, G. W.; Xu, J. C.; Neudeck, P. G.; Makel, D. B.; Ward, B.; Liu, C. C.

    2006-01-01

    Future in-space and lunar operations will require significantly improved monitoring and Integrated System Health Management (ISHM) throughout the mission. In particular, the monitoring of chemical species is an important component of an overall monitoring system for space vehicles and operations. For example, in leak monitoring of propulsion systems during launch, inspace, and on lunar surfaces, detection of low concentrations of hydrogen and other fuels is important to avoid explosive conditions that could harm personnel and damage the vehicle. Dependable vehicle operation also depends on the timely and accurate measurement of these leaks. Thus, the development of a sensor array to determine the concentration of fuels such as hydrogen, hydrocarbons, or hydrazine as well as oxygen is necessary. Work has been on-going to develop an integrated smart leak detection system based on miniaturized sensors to detect hydrogen, hydrocarbons, or hydrazine, and oxygen. The approach is to implement Microelectromechanical Systems (MEMS) based sensors incorporated with signal conditioning electronics, power, data storage, and telemetry enabling intelligent systems. The final sensor system will be self-contained with a surface area comparable to a postage stamp. This paper discusses the development of this "Lick and Stick" leak detection system and it s application to In-Space Transportation and other Exploration applications.

  19. Culturing Security System of Chemical Laboratory in Indonesia

    OpenAIRE

    Pusfitasari, Eka Dian

    2017-01-01

    Indonesia has experiences on the lack of chemical security such as: a number of bombing terrors and hazardous chemicals found in food. Bomb used in terror is a homemade bomb made from chemicals which are widely spread in the research laboratories such as a mixture of pottasium chlorate, sulphur, and alumunium. Therefore, security of chemicals should be implemented to avoid the misused of the chemicals. Although it has experienced many cases of the misuse of chemicals, and many regulations and...

  20. Characterizing chemical systems with on-line computers and graphics

    International Nuclear Information System (INIS)

    Frazer, J.W.; Rigdon, L.P.; Brand, H.R.; Pomernacki, C.L.

    1979-01-01

    Incorporating computers and graphics on-line to chemical experiments and processes opens up new opportunities for the study and control of complex systems. Systems having many variables can be characterized even when the variable interactions are nonlinear, and the system cannot a priori be represented by numerical methods and models. That is, large sets of accurate data can be rapidly acquired, then modeling and graphic techniques can be used to obtain partial interpretation plus design of further experimentation. The experimenter can thus comparatively quickly iterate between experimentation and modeling to obtain a final solution. We have designed and characterized a versatile computer-controlled apparatus for chemical research, which incorporates on-line instrumentation and graphics. It can be used to determine the mechanism of enzyme-induced reactions or to optimize analytical methods. The apparatus can also be operated as a pilot plant to design control strategies. On-line graphics were used to display conventional plots used by biochemists and three-dimensional response-surface plots

  1. A New Data Management System for Biological and Chemical Oceanography

    Science.gov (United States)

    Groman, R. C.; Chandler, C.; Allison, D.; Glover, D. M.; Wiebe, P. H.

    2007-12-01

    The Biological and Chemical Oceanography Data Management Office (BCO-DMO) was created to serve PIs principally funded by NSF to conduct marine chemical and ecological research. The new office is dedicated to providing open access to data and information developed in the course of scientific research on short and intermediate time-frames. The data management system developed in support of U.S. JGOFS and U.S. GLOBEC programs is being modified to support the larger scope of the BCO-DMO effort, which includes ultimately providing a way to exchange data with other data systems. The open access system is based on a philosophy of data stewardship, support for existing and evolving data standards, and use of public domain software. The DMO staff work closely with originating PIs to manage data gathered as part of their individual programs. In the new BCO-DMO data system, project and data set metadata records designed to support re-use of the data are stored in a relational database (MySQL) and the data are stored in or made accessible by the JGOFS/GLOBEC object- oriented, relational, data management system. Data access will be provided via any standard Web browser client user interface through a GIS application (Open Source, OGC-compliant MapServer), a directory listing from the data holdings catalog, or a custom search engine that facilitates data discovery. In an effort to maximize data system interoperability, data will also be available via Web Services; and data set descriptions will be generated to comply with a variety of metadata content standards. The office is located at the Woods Hole Oceanographic Institution and web access is via http://www.bco-dmo.org.

  2. Treatment systems for liquid wastes generated in chemical analysis laboratories

    International Nuclear Information System (INIS)

    Linda Berrio; Oscar Beltran; Edison Agudelo; Santiago Cardona

    2012-01-01

    Nowadays, handling of liquid wastes from chemical analysis laboratories is posing problems to different public and private organizations because of its requirements of an integrated management. This article reviews various treatment technologies and its removal efficiencies in order to establish criteria for selecting the system and the appropriate variables to achieve research objectives as well as environmental sustainability. Review begins with a description of the problem and continues with the study of treatments for laboratory wastes. These technologies are segregated into physicochemical and biological treatments that comprise a variety of processes, some of which are considered in this review.

  3. Integrated polymer waveguides for absorbance detection in chemical analysis systems

    DEFF Research Database (Denmark)

    Mogensen, Klaus Bo; El-Ali, Jamil; Wolff, Anders

    2003-01-01

    A chemical analysis system for absorbance detection with integrated polymer waveguides is reported for the first time. The fabrication procedure relies on structuring of a single layer of the photoresist SU-8, so both the microfluidic channel network and the optical components, which include planar....... The emphasis of this paper is on the signal-to-noise ratio of the detection and its relation to the sensitivity. Two absorbance cells with an optical path length of 100 μm and 1000 μm were characterized and compared in terms of sensitivity, limit of detection and effective path length for measurements...

  4. Evaluating the Effects of Chemicals on Nervous System Development

    Science.gov (United States)

    There are thousands of chemicals that lack data on their potential effects on neurodevelopment. EPA is developing New Approach Methods to evaluate these chemicals for developmental neurotoxicity hazard.

  5. A Self-Calibrating Remote Control Chemical Monitoring System

    Energy Technology Data Exchange (ETDEWEB)

    Jessica Croft

    2007-06-01

    The Susie Mine, part of the Upper Tenmile Mining Area, is located in Rimini, MT about 15 miles southwest of Helena, MT. The Upper Tenmile Creek Mining Area is an EPA Superfund site with 70 abandoned hard rock mines and several residential yards prioritized for clean up. Water from the Susie mine flows into Tenmile Creek from which the city of Helena draws part of its water supply. MSE Technology Applications in Butte, Montana was contracted by the EPA to build a treatment system for the Susie mine effluent and demonstrate a system capable of treating mine waste water in remote locations. The Idaho National Lab was contracted to design, build and demonstrate a low maintenance self-calibrating monitoring system that would monitor multiple sample points, allow remote two-way communications with the control software and allow access to the collected data through a web site. The Automated Chemical Analysis Monitoring (ACAM) system was installed in December 2006. This thesis documents the overall design of the hardware, control software and website, the data collected while MSE-TA’s system was operational, the data collected after MSE-TA’s system was shut down and suggested improvements to the existing system.

  6. COMPUTER SUPPORT SYSTEMS FOR ESTIMATING CHEMICAL TOXICITY: PRESENT CAPABILITIES AND FUTURE TRENDS

    Science.gov (United States)

    Computer Support Systems for Estimating Chemical Toxicity: Present Capabilities and Future Trends A wide variety of computer-based artificial intelligence (AI) and decision support systems exist currently to aid in the assessment of toxicity for environmental chemicals. T...

  7. From chemical neuroanatomy to an understanding of the olfactory system

    Directory of Open Access Journals (Sweden)

    L. Oboti

    2011-10-01

    Full Text Available The olfactory system is the appropriate model for studying several aspects of neuronal physiology spanning from the developmental stage to neural network remodelling in the adult brain. Both the morphological and physiological understanding of this system were strongly supported by classical histochemistry. It is emblematic the case of the Olfactory Marker Protein (OMP staining, the first, powerful marker for fully differentiated olfactory receptor neurons and a key tool to investigate the dynamic relations between peripheral sensory epithelia and central relay regions given its presence within olfactory fibers reaching the olfactory bulb (OB. Similarly, the use of thymidine analogues was able to show neurogenesis in an adult mammalian brain far before modern virus labelling and lipophilic tracers based methods. Nowadays, a wealth of new histochemical techniques combining cell and molecular biology approaches is available, giving stance to move from the analysis of the chemically identified circuitries to functional research. The study of adult neurogenesis is indeed one of the best explanatory examples of this statement. After defining the cell types involved and the basic physiology of this phenomenon in the OB plasticity, we can now analyze the role of neurogenesis in well testable behaviours related to socio-chemical communication in rodents.

  8. From chemical neuroanatomy to an understanding of the olfactory system

    Science.gov (United States)

    Oboti, L.; Peretto, P.; De Marchis, S.; Fasolo, A.

    2011-01-01

    The olfactory system of mammals is the appropriate model for studying several aspects of neuronal physiology spanning from the developmental stage to neural network remodelling in the adult brain. Both the morphological and physiological understanding of this system were strongly supported by classical histochemistry. It is emblematic the case of the Olfactory Marker Protein (OMP) staining, the first, powerful marker for fully differentiated olfactory receptor neurons and a key tool to investigate the dynamic relations between peripheral sensory epithelia and central relay regions given its presence within olfactory fibers reaching the olfactory bulb (OB). Similarly, the use of thymidine analogues was able to show neurogenesis in an adult mammalian brain far before modern virus labelling and lipophilic tracers based methods. Nowadays, a wealth of new histochemical techniques combining cell and molecular biology approaches is available, giving stance to move from the analysis of the chemically identified circuitries to functional research. The study of adult neurogenesis is indeed one of the best explanatory examples of this statement. After defining the cell types involved and the basic physiology of this phenomenon in the OB plasticity, we can now analyze the role of neurogenesis in well testable behaviours related to socio-chemical communication in rodents. PMID:22297441

  9. SRS: Site ranking system for hazardous chemical and radioactive waste

    International Nuclear Information System (INIS)

    Rechard, R.P.; Chu, M.S.Y.; Brown, S.L.

    1988-05-01

    This report describes the rationale and presents instructions for a site ranking system (SRS). SRS ranks hazardous chemical and radioactive waste sites by scoring important and readily available factors that influence risk to human health. Using SRS, sites can be ranked for purposes of detailed site investigations. SRS evaluates the relative risk as a combination of potentially exposed population, chemical toxicity, and potential exposure of release from a waste site; hence, SRS uses the same concepts found in a detailed assessment of health risk. Basing SRS on the concepts of risk assessment tends to reduce the distortion of results found in other ranking schemes. More importantly, a clear logic helps ensure the successful application of the ranking procedure and increases its versatility when modifications are necessary for unique situations. Although one can rank sites using a detailed risk assessment, it is potentially costly because of data and resources required. SRS is an efficient approach to provide an order-of-magnitude ranking, requiring only readily available data (often only descriptive) and hand calculations. Worksheets are included to make the system easier to understand and use. 88 refs., 19 figs., 58 tabs

  10. Small Systems and Limitations on the Use of Chemical Thermodynamics

    Science.gov (United States)

    Tovbin, Yu. K.

    2018-01-01

    Limitations on using chemical thermodynamics to describe small systems are formulated. These limitations follow from statistical mechanics for equilibrium and nonequilibrium processes and reflect (1) differences between characteristic relaxation times in momentum, energy, and mass transfer in different aggregate states of investigated systems; (2) achievements of statistical mechanics that allow us to determine criteria for the size of smallest region in which thermodynamics can be applied and the scale of the emergence of a new phase, along with criteria for the conditions of violating a local equilibrium. Based on this analysis, the main thermodynamic results are clarified: the phase rule for distorted interfaces, the sense and area of applicability of Gibbs's concept of passive forces, and the artificiality of Kelvin's equation as a result of limitations on the thermodynamic approach to considering small bodies. The wrongness of introducing molecular parameters into thermodynamic derivations, and the activity coefficient for an activated complex into the expression for a reaction rate constant, is demonstrated.

  11. A Monolithically-Integrated μGC Chemical Sensor System

    Directory of Open Access Journals (Sweden)

    Davor Copic

    2011-06-01

    Full Text Available Gas chromatography (GC is used for organic and inorganic gas detection with a range of applications including screening for chemical warfare agents (CWA, breath analysis for diagnostics or law enforcement purposes, and air pollutants/indoor air quality monitoring of homes and commercial buildings. A field-portable, light weight, low power, rapid response, micro-gas chromatography (μGC system is essential for such applications. We describe the design, fabrication and packaging of mGC on monolithically-integrated Si dies, comprised of a preconcentrator (PC, μGC column, detector and coatings for each of these components. An important feature of our system is that the same mechanical micro resonator design is used for the PC and detector. We demonstrate system performance by detecting four different CWA simulants within 2 min. We present theoretical analyses for cost/power comparisons of monolithic versus hybrid μGC systems. We discuss thermal isolation in monolithic systems to improve overall performance. Our monolithically-integrated μGC, relative to its hybrid cousin, will afford equal or slightly lower cost, a footprint that is 1/2 to 1/3 the size and an improved resolution of 4 to 25%.

  12. Three-dimensional chemical structure of the INEL aquifer system near the Idaho Chemical Processing Plant

    International Nuclear Information System (INIS)

    McCurry, M.; Estes, M.; Fromm, J.; Welhan, J.; Barrash, W.

    1994-01-01

    Sampling and analysis from the Snake River Plain aquifer using a stainless-steel and teflon constructed straddle-packer system has established detailed vertical profiles of aquifer chemistry from three wells near a major source of low-level waste injection at the Idaho Chemical Processing Plant. Multiple intervals, varying from 4.6 to 6.1 m in length, were sampled between the water table (140.5 mbls - meters below land surface), and approximately 200 mbls to obtain a wide spectrum of metals, anions, radiological and organic components analyses. Measurements were also made at the well sites of important transient parameters (T, Eh, Fe 3+ , Fe 2+ , DO and SC). The principal purpose of this ongoing work is to improve our understanding of the third (i.e. vertical) dimension of aquifer chemistry at the INEL as a basis for critically evaluating site-wide monitoring procedures, and, ultimately, for improving fate and transport models for aquifer contaminants within basalt-hosted aquifers. Chemical and radiological data indicates that substantial systematic vertical and lateral variations occur in the aquifer hydrochemistry - in particular for conservative radiological nuclide concentrations. Radiological data define a three-layered zonation. Ground water within upper and lower zones contain up to 10 times higher concentrations of H-3 and I-129 than in the middle zone. Sr-90 activity is decoupled from H-3 and I-129-relatively high activity was detected within the upper zone nearest the ICPP, but activities elsewhere are very low. 27 refs., 4 figs., 1 tab

  13. Synthetic and systems biology for microbial production of commodity chemicals.

    Science.gov (United States)

    Chubukov, Victor; Mukhopadhyay, Aindrila; Petzold, Christopher J; Keasling, Jay D; Martín, Héctor García

    2016-01-01

    The combination of synthetic and systems biology is a powerful framework to study fundamental questions in biology and produce chemicals of immediate practical application such as biofuels, polymers, or therapeutics. However, we cannot yet engineer biological systems as easily and precisely as we engineer physical systems. In this review, we describe the path from the choice of target molecule to scaling production up to commercial volumes. We present and explain some of the current challenges and gaps in our knowledge that must be overcome in order to bring our bioengineering capabilities to the level of other engineering disciplines. Challenges start at molecule selection, where a difficult balance between economic potential and biological feasibility must be struck. Pathway design and construction have recently been revolutionized by next-generation sequencing and exponentially improving DNA synthesis capabilities. Although pathway optimization can be significantly aided by enzyme expression characterization through proteomics, choosing optimal relative protein expression levels for maximum production is still the subject of heuristic, non-systematic approaches. Toxic metabolic intermediates and proteins can significantly affect production, and dynamic pathway regulation emerges as a powerful but yet immature tool to prevent it. Host engineering arises as a much needed complement to pathway engineering for high bioproduct yields; and systems biology approaches such as stoichiometric modeling or growth coupling strategies are required. A final, and often underestimated, challenge is the successful scale up of processes to commercial volumes. Sustained efforts in improving reproducibility and predictability are needed for further development of bioengineering.

  14. Compressed air system audit in a chemical company

    Energy Technology Data Exchange (ETDEWEB)

    Radgen, P. [Fraunhofer ISI, Karlsruhe (Germany)

    2005-07-01

    This paper describes the results achieved during a compressed air system audit at a chemical company in Switzerland. The aim of the audit conducted in Muttenz at the site of Clariant Schweiz AG was to analyse the installed compressed air system and its operation in order to identify energy and cost saving potentials. Because there was measurement equipment already installed, it was not necessary to install a new meter. Instead the existing data had to be extracted from the controlled system and regrouped for the analysis. Aggregated data for 2003 and 2004 and a set of detailed data acquired in the course of one week were used for the analysis. The audit identified a number of measures to improve the compressed air system, but had to conclude that the saving potentials at this site are below average. The audit included the compressors, the air treatment and air distribution up to production or storage buildings. The saving potential identified was quantified as about 300 000 kWh/a, or 13.3% of the compressed air energy demand. The cost savings were calculated to be around 41 852 Swiss Franks. (orig.)

  15. Low level exposure to chemicals and immune system

    International Nuclear Information System (INIS)

    Colosio, C.; Birindelli, S.; Corsini, E.; Galli, C.L.; Maroni, M.

    2005-01-01

    Industrialized countries are facing an increase of diseases attributable to an alteration of the immune system function, and concern is growing that this trend could be at least partially attributable to new and modified patterns of exposure to chemicals. Among chemicals matter of concern, pesticides can be included. The Authors have reviewed the existing evidence of pesticide immunotoxicity in humans, showing that existing data are inadequate to raise conclusions on the immunotoxic risk related to these compounds. The limits of existing studies are: poor knowledge on exposure levels, heterogeneity of the approach, and difficulty in giving a prognostic significance to the slight changes often observed. To overcome these limits, the Authors have proposed a tier approach, based on three steps: the first, addressed at pointing out a possible immunomodulation; the second, at refining the results and the third one, when needed, to finalize the study and to point out concordance with previous results. Studies should preferably be carried out through comparison of pre- and post-exposure findings in the same groups of subjects to be examined immediately after the end of the exposure. A simplification of the first step approach can be used by the occupational health physician and the occupational toxicologist. Conclusions on the prognostic significance of the slight changes often observed will be reached only by validating the hypothesis generated by field studies with an epidemiological approach. In this field, the most useful option is represented by longitudinal perspective studies

  16. Audit Report. Johnston Atoll Chemical Agent Disposal System Preparation for Year 2000

    National Research Council Canada - National Science Library

    1998-01-01

    .... The overall audit objective was to determine whether the Johnston Atoll Chemical Agent Disposal System was adequately preparing its information technology systems to resolve date-processing issues...

  17. 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)

  18. A non-chemical system for online weed control.

    Science.gov (United States)

    Rueda-Ayala, Victor; Peteinatos, Gerassimos; Gerhards, Roland; Andújar, Dionisio

    2015-03-30

    Non-chemical weed control methods need to be directed towards a site-specific weeding approach, in order to be able to compete the conventional herbicide equivalents. A system for online weed control was developed. It automatically adjusts the tine angle of a harrow and creates different levels of intensity: from gentle to aggressive. Two experimental plots in a maize field were harrowed with two consecutive passes. The plots presented from low to high weed infestation levels. Discriminant capabilities of an ultrasonic sensor were used to determine the crop and weed variability of the field. A controlling unit used ultrasonic readings to adjust the tine angle, producing an appropriate harrowing intensity. Thus, areas with high crop and weed densities were more aggressively harrowed, while areas with lower densities were cultivated with a gentler treatment; areas with very low densities or without weeds were not treated. Although the weed development was relatively advanced and the soil surface was hard, the weed control achieved by the system reached an average of 51% (20%-91%), without causing significant crop damage as a result of harrowing. This system is proposed as a relatively low cost, online, and real-time automatic harrow that improves the weed control efficacy, reduces energy consumption, and avoids the usage of herbicide.

  19. A constrained approach to multiscale stochastic simulation of chemically reacting systems

    KAUST Repository

    Cotter, Simon L.; Zygalakis, Konstantinos C.; Kevrekidis, Ioannis G.; Erban, Radek

    2011-01-01

    Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address

  20. Modeling drug- and chemical- induced hepatotoxicity with systems biology approaches

    Directory of Open Access Journals (Sweden)

    Sudin eBhattacharya

    2012-12-01

    Full Text Available We provide an overview of computational systems biology approaches as applied to the study of chemical- and drug-induced toxicity. The concept of ‘toxicity pathways’ is described in the context of the 2007 US National Academies of Science report, Toxicity testing in the 21st Century: A Vision and A Strategy. Pathway mapping and modeling based on network biology concepts are a key component of the vision laid out in this report for a more biologically-based analysis of dose-response behavior and the safety of chemicals and drugs. We focus on toxicity of the liver (hepatotoxicity – a complex phenotypic response with contributions from a number of different cell types and biological processes. We describe three case studies of complementary multi-scale computational modeling approaches to understand perturbation of toxicity pathways in the human liver as a result of exposure to environmental contaminants and specific drugs. One approach involves development of a spatial, multicellular virtual tissue model of the liver lobule that combines molecular circuits in individual hepatocytes with cell-cell interactions and blood-mediated transport of toxicants through hepatic sinusoids, to enable quantitative, mechanistic prediction of hepatic dose-response for activation of the AhR toxicity pathway. Simultaneously, methods are being developing to extract quantitative maps of intracellular signaling and transcriptional regulatory networks perturbed by environmental contaminants, using a combination of gene expression and genome-wide protein-DNA interaction data. A predictive physiological model (DILIsymTM to understand drug-induced liver injury (DILI, the most common adverse event leading to termination of clinical development programs and regulatory actions on drugs, is also described. The model initially focuses on reactive metabolite-induced DILI in response to administration of acetaminophen, and spans multiple biological scales.

  1. State estimation of chemical engineering systems tending to multiple solutions

    Directory of Open Access Journals (Sweden)

    N. P. G. Salau

    2014-09-01

    Full Text Available A well-evaluated state covariance matrix avoids error propagation due to divergence issues and, thereby, it is crucial for a successful state estimator design. In this paper we investigate the performance of the state covariance matrices used in three unconstrained Extended Kalman Filter (EKF formulations and one constrained EKF formulation (CEKF. As benchmark case studies we have chosen: a a batch chemical reactor with reversible reactions whose system model and measurement are such that multiple states satisfy the equilibrium condition and b a CSTR with exothermic irreversible reactions and cooling jacket energy balance whose nonlinear behavior includes multiple steady-states and limit cycles. The results have shown that CEKF is in general the best choice of EKF formulations (even if they are constrained with an ad hoc clipping strategy which avoids undesired states for such case studies. Contrary to a clipped EKF formulation, CEKF incorporates constraints into an optimization problem, which minimizes the noise in a least square sense preventing a bad noise distribution. It is also shown that, although the Moving Horizon Estimation (MHE provides greater robustness to a poor guess of the initial state, converging in less steps to the actual states, it is not justified for our examples due to the high additional computational effort.

  2. Attempt at a Systemic Design of a Protocell: Connecting information, Metabolism and Container

    DEFF Research Database (Denmark)

    Albertsen, Anders N.; Maurer, Sarah; Cape, Jonathan

    many of the basic characteristics of a living system, but usually lack the gene mediated regulation functions that natural cells possess. To address this issue, we are attempting a systemic approach (Rasmussen, 2004) in implementing a simple, chemical system that contains three major types of molecules...... of the design and the already demonstrated advantages of the systemic approach in unravelling interactions (Declue, 2009; Maurer, 2011) between the components and their significances for the self-maintenance and self-replication of a protocell. References DeClue, MS, Monnard, P-A, Bailey, JA, Maurer, SE, Collis......The minimal requirements for a living system are often listed as follows: i) a living system must have a specific identity and be able to preserve it (compartmentalization) ; ii) it must sustain itself by using energy from its environment to manufacture at least some of its components from...

  3. Gaussian approximations for stochastic systems with delay: Chemical Langevin equation and application to a Brusselator system

    International Nuclear Information System (INIS)

    Brett, Tobias; Galla, Tobias

    2014-01-01

    We present a heuristic derivation of Gaussian approximations for stochastic chemical reaction systems with distributed delay. In particular, we derive the corresponding chemical Langevin equation. Due to the non-Markovian character of the underlying dynamics, these equations are integro-differential equations, and the noise in the Gaussian approximation is coloured. Following on from the chemical Langevin equation, a further reduction leads to the linear-noise approximation. We apply the formalism to a delay variant of the celebrated Brusselator model, and show how it can be used to characterise noise-driven quasi-cycles, as well as noise-triggered spiking. We find surprisingly intricate dependence of the typical frequency of quasi-cycles on the delay period

  4. Gaussian approximations for stochastic systems with delay: chemical Langevin equation and application to a Brusselator system.

    Science.gov (United States)

    Brett, Tobias; Galla, Tobias

    2014-03-28

    We present a heuristic derivation of Gaussian approximations for stochastic chemical reaction systems with distributed delay. In particular, we derive the corresponding chemical Langevin equation. Due to the non-Markovian character of the underlying dynamics, these equations are integro-differential equations, and the noise in the Gaussian approximation is coloured. Following on from the chemical Langevin equation, a further reduction leads to the linear-noise approximation. We apply the formalism to a delay variant of the celebrated Brusselator model, and show how it can be used to characterise noise-driven quasi-cycles, as well as noise-triggered spiking. We find surprisingly intricate dependence of the typical frequency of quasi-cycles on the delay period.

  5. 30 CFR 75.1101-15 - Construction of dry powder chemical systems.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Construction of dry powder chemical systems. 75.1101-15 Section 75.1101-15 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR...-15 Construction of dry powder chemical systems. (a) Each self-contained dry powder system shall be...

  6. From chemical or biochemical microsensors to fast detection systems

    International Nuclear Information System (INIS)

    Pistre, J.; Dejous, C.; Rebiere, D.

    2011-01-01

    The market of chemical and biochemical sensors is increasing and represents a large opportunity. The problem of chemical and biochemicaldetection involves the use of one/several transducing layer/interface. Several types of detection exist. Among them, acoustic wave devices present many advantages. The paper deals with surface acoustic waves devices and their implementation. The role and properties of the sensing layer are discussed for chemical sensors and biochemical sensors as well. Examples of realizations are presented taking into account the microfluidic approach.

  7. Chemical and Biological Defense: DOD Needs Consistent Policies and Clear Processes to Address the Survivability of Weapon Systems Against Chemical and Biological Threats

    National Research Council Canada - National Science Library

    2006-01-01

    DOD, joint, and military service weapon system acquisition policies inconsistently address and do not establish a clear process for considering and testing system chemical and biological survivability...

  8. for simulating kinetic profiles of multi-step chemical systems

    African Journals Online (AJOL)

    Preferred Customer

    waves and Belousov-Zhabotinsky type reactions have complex reaction mechanisms ... A pre-processor code for a sequence of chemical reactions is .... mechanism only as the text file using any editor that support text format, (iv) the reactant.

  9. Chemical technology of the systems, partitioning and separation, disposal

    International Nuclear Information System (INIS)

    Volk, V.I.

    1997-01-01

    A reactor-accelerator reprocessing complex is described. The complex comprises an electronuclear transmutation installation and chemical and technological support units for maintenance of the steady-state of the blanket, separation of short-lived transmutation products to be disposed of from other components of the blanket, chemical conversion to relevant stable species of products to be disposed of for interim storage and disposal

  10. The Theory of Thermodynamics for Chemical Reactions in Dispersed Heterogeneous Systems

    Science.gov (United States)

    Yongqiang; Baojiao; Jianfeng

    1997-07-01

    In this paper, the expressions of Gibbs energy change, enthalpy change, entropy change, and equilibrium constant for chemical reactions in dispersed heterogeneous systems are derived using classical thermodynamics theory. The thermodynamical relations for the same reaction system between the dispersed and the block state are also derived. The effects of degree of dispersion on thermodynamical properties, reaction directions, and chemical equilibria are discussed. The results show that the present equation of thermodynamics for chemical reactions is only a special case of the above-mentioned formulas and that the effect of the dispersity of a heterogeneous system on the chemical reaction obeys the Le Chatelier principle of movement of equilibria.

  11. The development of the globally harmonized system (GHS) of classification and labelling of hazardous chemicals

    International Nuclear Information System (INIS)

    Winder, Chris; Azzi, Rola; Wagner, Drew

    2005-01-01

    The hazards of chemicals can be classified using classification criteria that are based on physical, chemical and ecotoxicological endpoints. These criteria may be developed be iteratively, based on scientific or regulatory processes. A number of national and international schemes have been developed over the past 50 years, and some, such as the UN Dangerous Goods system or the EC system for hazardous substances, are in widespread use. However, the unnecessarily complicated multiplicity of existing hazard classifications created much unnecessary confusion at the user level, and a recommendation was made at the 1992 Rio Earth summit to develop a globally harmonized chemical hazard classification and compatible labelling system, including material safety data sheets and easily understandable symbols, that could be used for manufacture, transport, use and disposal of chemical substances. This became the globally harmonized system for the Classification and Labelling of Chemicals (GHS). The developmental phase of the GHS is largely complete. Consistent criteria for categorising chemicals according to their toxic, physical, chemical and ecological hazards are now available. Consistent hazard communication tools such as labelling and material safety data sheets are also close to finalisation. The next phase is implementation of the GHS. The Intergovernmental Forum for Chemical Safety recommends that all countries implement the GHS as soon as possible with a view to have the system fully operational by 2008. When the GHS is in place, the world will finally have one system for classification of chemical hazards

  12. 33 CFR 149.416 - What are the requirements for a dry chemical fire suppression system?

    Science.gov (United States)

    2010-07-01

    ... the requirements for a dry chemical fire suppression system? Each natural gas deepwater port must be... dry chemical fire suppression system? 149.416 Section 149.416 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) DEEPWATER PORTS DEEPWATER PORTS: DESIGN, CONSTRUCTION...

  13. Chemical Mechanisms and Their Applications in the Goddard Earth Observing System (GEOS) Earth System Model.

    Science.gov (United States)

    Nielsen, J Eric; Pawson, Steven; Molod, Andrea; Auer, Benjamin; da Silva, Arlindo M; Douglass, Anne R; Duncan, Bryan; Liang, Qing; Manyin, Michael; Oman, Luke D; Putman, William; Strahan, Susan E; Wargan, Krzysztof

    2017-12-01

    NASA's Goddard Earth Observing System (GEOS) Earth System Model (ESM) is a modular, general circulation model (GCM), and data assimilation system (DAS) that is used to simulate and study the coupled dynamics, physics, chemistry, and biology of our planet. GEOS is developed by the Global Modeling and Assimilation Office (GMAO) at NASA Goddard Space Flight Center. It generates near-real-time analyzed data products, reanalyses, and weather and seasonal forecasts to support research targeted to understanding interactions among Earth System processes. For chemistry, our efforts are focused on ozone and its influence on the state of the atmosphere and oceans, and on trace gas data assimilation and global forecasting at mesoscale discretization. Several chemistry and aerosol modules are coupled to the GCM, which enables GEOS to address topics pertinent to NASA's Earth Science Mission. This paper describes the atmospheric chemistry components of GEOS and provides an overview of its Earth System Modeling Framework (ESMF)-based software infrastructure, which promotes a rich spectrum of feedbacks that influence circulation and climate, and impact human and ecosystem health. We detail how GEOS allows model users to select chemical mechanisms and emission scenarios at run time, establish the extent to which the aerosol and chemical components communicate, and decide whether either or both influence the radiative transfer calculations. A variety of resolutions facilitates research on spatial and temporal scales relevant to problems ranging from hourly changes in air quality to trace gas trends in a changing climate. Samples of recent GEOS chemistry applications are provided.

  14. A identification system for chemical warfare agents with PGNAA method

    International Nuclear Information System (INIS)

    Wang Bairong; Yin Guanghua; Yang Zhongping

    2006-01-01

    The principle and the experimental commanding of Chemical warfare Agents Identification with PGNAA method are discussed in this paper. The choosing of Detector, neutron source and the data processing method are detailed. Finally, a set of experimental instruments composed of Cf-232 and BGO detector is developed based on the theory discussed above. (authors)

  15. Identification system for chemical warfare agents with PGNAA method

    International Nuclear Information System (INIS)

    Wang Bairong; Yin Guanghua; Yang Zhongpin

    2007-01-01

    The principle and the experimental commanding of Chemical warfare Agents Identification with PGNAA method are discussed in this paper. The choosing of detector, neutron source and the data processing method are detailed. Finally, a set of experimental instruments composed of Cf-232 and BGO detector is developed based on this theory discussed above. (authors)

  16. systemic chemical education reform [scer] in the global era

    African Journals Online (AJOL)

    IICBA01

    growing the systemic way of thinking of our students that is one of the most important characteristics of Global Era. Here is the systemic education reform which means the change of our educational system from linearity to systemic in which we design the curriculum and write content systemically, which presented by SATL ...

  17. Possibility of the development of a Serbian protection system against chemical accidents

    Directory of Open Access Journals (Sweden)

    Dejan R. Inđić

    2012-10-01

    Full Text Available The paper presents a draft of a system model for responding in case of chemical accidents in accordance with the current legislation regarding the environment protection, the structure and elements of the existing response system in case of chemical accidents, other works dealing with the issue as well as the prospects planned by those responsible for the environmental protection. The paper discuss the possibilities of different institutions and agencies of the Republic of Serbia to engage in specialized methods of cooperation and protection against chemical hazards in accordance with Article X of the Convention on the Prohibition of Chemical Weapons.

  18. Some Sensitivity Studies of Chemical Transport Simulated in Models of the Soil-Plant-Litter System

    Energy Technology Data Exchange (ETDEWEB)

    Begovich, C.L.

    2002-10-28

    Fifteen parameters in a set of five coupled models describing carbon, water, and chemical dynamics in the soil-plant-litter system were varied in a sensitivity analysis of model response. Results are presented for chemical distribution in the components of soil, plants, and litter along with selected responses of biomass, internal chemical transport (xylem and phloem pathways), and chemical uptake. Response and sensitivity coefficients are presented for up to 102 model outputs in an appendix. Two soil properties (chemical distribution coefficient and chemical solubility) and three plant properties (leaf chemical permeability, cuticle thickness, and root chemical conductivity) had the greatest influence on chemical transport in the soil-plant-litter system under the conditions examined. Pollutant gas uptake (SO{sub 2}) increased with change in plant properties that increased plant growth. Heavy metal dynamics in litter responded to plant properties (phloem resistance, respiration characteristics) which induced changes in the chemical cycling to the litter system. Some of the SO{sub 2} and heavy metal responses were not expected but became apparent through the modeling analysis.

  19. Safety management system in a Swiss chemical company

    International Nuclear Information System (INIS)

    Vouillamoz, R.

    1996-01-01

    Through the implementation of the fine chemical strategy, i.e. the manufacture of products with a higher value, the Lonza AG was confronted with a drastic increase of complexity in safety and disposal. In this connection, a concept of risk reduction was developed and carried out. This concept is based on 3 different steps: - prevention, - reduction, - provision. The details of these steps are explained here and illustrated with concrete examples. (author) 5 figs., tabs

  20. APOGEE Chemical Abundances of the Sagittarius Dwarf Galaxy System

    Science.gov (United States)

    Hasselquist, Sten; Shetrone, Matthew D.; Smith, Verne V.; Holtzman, Jon A.; McWilliam, Andrew; APOGEE Team

    2018-06-01

    The Apache Point Observatory Galactic Evolution Experiment provides the opportunity of measuring elemental abundances for C, N, O, Na, Mg, Al, Si, P, K, Ca, V, Cr, Mn, Fe, Co, and Ni in vast numbers of stars. We analyze the chemical-abundance patterns of these elements for 158 red giant stars belonging to the Sagittarius dwarf galaxy (Sgr). This is the largest sample of Sgr stars with detailed chemical abundances, and it is the first time that C, N, P, K, V, Cr, Co, and Ni have been studied at high resolution in this galaxy. We find that the Sgr stars with [Fe/H] > -0.8 are deficient in all elemental abundance ratios (expressed as [X/Fe]) relative to the Milky Way, suggesting that the Sgr stars observed today were formed from gas that was less enriched by Type II SNe than stars formed in the Milky Way. By examining the relative deficiencies of the hydrostatic (O, Na, Mg, and Al) and explosive (Si, P, K, and Mn) elements, our analysis supports the argument that previous generations of Sgr stars were formed with a top-light initial mass function, one lacking the most massive stars that would normally pollute the interstellar medium with the hydrostatic elements. We use a simple chemical-evolution model, flexCE, to further support our claim and conclude that recent stellar generations of Fornax and the Large Magellanic Cloud could also have formed according to a top-light initial mass function. We then exploit the unique chemical abundance patters of the Sgr core to trace stars belonging to the Sgr tidal streams elsewhere in the Milky Way.

  1. Determination of solute organic concentration in contaminated soils using a chemical-equilibrium soil column system

    DEFF Research Database (Denmark)

    Gamst, Jesper; Kjeldsen, Peter; Christensen, Thomas Højlund

    2007-01-01

    using two soils with different content of organic carbon (f(oc) of 1.5 and 6.5%, respectively). A quadruple blind test of the ER-V system using glass beads in stead of soil showed an acceptable recovery (65-85%) of all of the 11 VOCs tested. Only for the most volatile compound (heptane, K-H similar...... to 80) an unacceptable recovery was found (9%). The contact time needed for obtaining chemical equilibrium was tested in the ER-H system by performing five test with different duration (1, 2, 4, 7 and 19 days) using the low organic carbon soil. Seven days of contact time appeared sufficient...... for determination of solute concentration in a contaminated soil were developed; (1) a chemical Equilibrium and Recirculation column test for Volatile organic chemicals (ER-V) and (2) a chemical Equilibrium and Recirculation column test for Hydrophobic organic chemicals (ER-H). The two test systems were evaluated...

  2. Temporal cross-correlation asymmetry and departure from equilibrium in a bistable chemical system.

    Science.gov (United States)

    Bianca, C; Lemarchand, A

    2014-06-14

    This paper aims at determining sustained reaction fluxes in a nonlinear chemical system driven in a nonequilibrium steady state. The method relies on the computation of cross-correlation functions for the internal fluctuations of chemical species concentrations. By employing Langevin-type equations, we derive approximate analytical formulas for the cross-correlation functions associated with nonlinear dynamics. Kinetic Monte Carlo simulations of the chemical master equation are performed in order to check the validity of the Langevin equations for a bistable chemical system. The two approaches are found in excellent agreement, except for critical parameter values where the bifurcation between monostability and bistability occurs. From the theoretical point of view, the results imply that the behavior of cross-correlation functions cannot be exploited to measure sustained reaction fluxes in a specific nonlinear system without the prior knowledge of the associated chemical mechanism and the rate constants.

  3. Thermocouple-based Temperature Sensing System for Chemical Cell Inside Micro UAV Device

    Science.gov (United States)

    Han, Yanhui; Feng, Yue; Lou, Haozhe; Zhang, Xinzhao

    2018-03-01

    Environmental temperature of UAV system is crucial for chemical cell component inside. Once the temperature of this chemical cell is over 259 °C and keeps more than 20 min, the high thermal accumulation would result in an explosion, which seriously damage the whole UAV system. Therefore, we develop a micro temperature sensing system for monitoring the temperature of chemical cell thermally influenced by UAV device deployed in a 300 °C temperature environment, which is quite useful for insensitive munitions and UAV safety enhancement technologies.

  4. Chemical processes induced radiolytically in well defined aqueous systems

    International Nuclear Information System (INIS)

    Thomas, J.K.

    1979-01-01

    The radiation chemistry of dilute aqueous systems is discussed in terms of the simple primary radicals and ions produced, and also in terms of reactions of secondary radicals produced via attack of the primary species on organic solutes. These simple systems are extended to 3 more complex systems: (a) solutions of polymers, (b) micelles and vesicles, and (c) inverted micelles containing water bubbles. These latter systems all contain new and interesting features not exhibited by dilute solutions of simple molecules, and are of particular importance with respect to bio-systems

  5. A multi-attribute Systemic Risk Index for comparing and prioritizing chemical industrial areas

    International Nuclear Information System (INIS)

    Reniers, G.L.L.; Sörensen, K.; Dullaert, W.

    2012-01-01

    Measures taken to decrease interdependent risks within chemical industrial areas should be based on quantitative data from a holistic (cluster-based) point of view. Therefore, this paper examines the typology of networks representing industrial areas to formulate recommendations to more effectively protect a chemical cluster against existing systemic risks. Chemical industrial areas are modeled as two distinct complex networks and are prioritized by computing two sub-indices with respect to existing systemic safety and security risks (using Domino Danger Units) and supply chain risks (using units from an ordinal expert scale). Subsequently, a Systemic Risk Index for the industrial area is determined employing the Borda algorithm, whereby the systemic risk index considers both a safety and security network risk index and a supply chain network risk index. The developed method allows decreasing systemic risks within chemical industrial areas from a holistic (inter-organizational and/or inter-cluster) perspective. An illustrative example is given.

  6. WAR DSS: A DECISION SUPPORT SYSTEM FOR ENVIRONMENTALLY CONSCIOUS CHEMICAL PROCESS DESIGN

    Science.gov (United States)

    The second generation of the Waste Reduction (WAR) Algorithm is constructed as a decision support system (DSS) in the design of chemical manufacturing facilities. The WAR DSS is a software tool that can help reduce the potential environmental impacts (PEIs) of industrial chemical...

  7. Explosion of limit cycles and chaotic waves in a simple nonlinear chemical system

    DEFF Research Database (Denmark)

    Brøns, Morten; Sturis, Jeppe

    2001-01-01

    A model of an autocatalytic chemical reaction was employed to study the explosion of limit cycles and chaotic waves in a nonlinear chemical system. The bifurcation point was determined using asymptotic analysis and perturbations. Scaling laws for amplitude and period were derived. A strong sensit...... sensitivity was introduced due to bifurcation to infinity resulting in chaotic dynamics on adding diffusion....

  8. From molecular insights and chemical technologies to communications and expert systems: A few short thermodynamic stories

    International Nuclear Information System (INIS)

    Frenkel, Michael

    2007-01-01

    This Hugh M. Huffman Memorial Award Lecture illustrates the power of phenomenological and statistical thermodynamics and the unique role of thermochemical data by a variety of studies in very diverse scientific and industrial fields ranging from conformational analysis to optimization of high-tech space and mass-scale chemical technologies and from data communications to data expert systems for chemical process design

  9. Essentials of water systems design in the oil, gas, and chemical processing industries

    CERN Document Server

    Bahadori, Alireza; Boyd, Bill

    2013-01-01

    Essentials of Water Systems Design in the Oil, Gas and Chemical Processing Industries provides valuable insight for decision makers by outlining key technical considerations and requirements of four critical systems in industrial processing plants—water treatment systems, raw water and plant water systems, cooling water distribution and return systems, and fire water distribution and storage facilities. The authors identify the key technical issues and minimum requirements related to the process design and selection of various water supply systems used in the oil, gas, and chemical processing industries. This book is an ideal, multidisciplinary work for mechanical engineers, environmental scientists, and oil and gas process engineers.

  10. Investigations on the optimum design of chemical addition system for nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Byong Hoon [Junior College of Inchon, Inchon (Korea, Republic of); Chung, Chang Kyu; Choi, Han Rim; Kim, Eun Kee; Ro, Tae Sun [Korea Power Engineering Company, Inc. Taejon (Korea, Republic of)

    1997-12-31

    Mixing characteristics of the chemical additives in the chemical injection tank of the chemical and volume control system(CVCS) were investigated for the Yonggwang Nuclear units 5 and 6. Numerical calculations were performed with a low-Reynolds number turbulence model. Studies were also conducted for the injection tank with a disk located at 1/4H, 2/4H, and 3/4H from the inlet in order to see the effect in the enhancement of chemical mixing. Results show that the optimum arrangement is to locate a disk close to the inlet. 10 refs., 4 figs. (Author)

  11. Investigations on the optimum design of chemical addition system for nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Byong Hoon [Junior College of Inchon, Inchon (Korea, Republic of); Chung, Chang Kyu; Choi, Han Rim; Kim, Eun Kee; Ro, Tae Sun [Korea Power Engineering Company, Inc. Taejon (Korea, Republic of)

    1998-12-31

    Mixing characteristics of the chemical additives in the chemical injection tank of the chemical and volume control system(CVCS) were investigated for the Yonggwang Nuclear units 5 and 6. Numerical calculations were performed with a low-Reynolds number turbulence model. Studies were also conducted for the injection tank with a disk located at 1/4H, 2/4H, and 3/4H from the inlet in order to see the effect in the enhancement of chemical mixing. Results show that the optimum arrangement is to locate a disk close to the inlet. 10 refs., 4 figs. (Author)

  12. Radiation-chemical behaviour of actinides in extraction systems

    International Nuclear Information System (INIS)

    Vladimirova, M.V.; Fedoseev, D.A.; Bojkova, I.A.; Milovanova, A.S.

    1987-01-01

    Radiation-chemical behaviour of Pu(4) in γ-irradiated triisoamyl phosphate (TIAP) solutions in n-dodecane with metal concentration of 9.5x10 -3 mol/l is investigated by spectrophotometric and extraction methods within the interval of γ-irradiation absorbed dose values from 1.5x10 4 to 1.0x10 5 Gy. Absorption spectra of Pu(4) complexes with TIAP and diisoamylphosphoric acid (DIAPA) are taken for the first time and their extinction molar coefficients (e.m.c.) are determined. Apparent stability constants of Pu(4) complexes with DIAPA with molar ratio of acid to metal of 1:1 and 2:1 are determined. It is as certained, that in the result of organic solution γ-irradiation Pu(4) does not change its valent state, but forms complexes with DIAPA. Radiation-chemical yield of these complexes formation G D practically does not differ from G D for Pu(4) dibutylphosphate complexes and makes up 1.0±0.2 molec./100 eV. It is shown, that coefficients of Pu(4) distribution between γ-irradiated TIAP solutions in n-dodecane and HNO 3 aqueous solutions (0.1 ml/l) linearly increase with E γ growth. Absorption spectrum configuration and e.m.c. values of Pu(4) organic solutions after fourfold re-extraction testify to the fact, that nonextractable Pu(4) constitutes complexes with DIAPA with molar ratio of acid to metal of 1:1 and 2:1

  13. GREENER CHEMICAL PROCESS DESIGN ALTERNATIVES ARE REVEALED USING THE WASTE REDUCTION DECISION SUPPORT SYSTEM (WAR DSS)

    Science.gov (United States)

    The Waste Reduction Decision Support System (WAR DSS) is a Java-based software product providing comprehensive modeling of potential adverse environmental impacts (PEI) predicted to result from newly designed or redesigned chemical manufacturing processes. The purpose of this so...

  14. Recent Activities in Electro-Thermal Chemical Launcher Technologies at BAE Systems

    National Research Council Canada - National Science Library

    Dyvik, Jahn; Herbig, Juleigh; Appleton, Randall; O'Reilly, John; Shin, Jonathan

    2006-01-01

    ..., improvement of power connections to the gun to allow electromagnetic field containment and automated connection to the round, and tests of the completed ETC system with various chemical propellants...

  15. Chemical modeling of irreversible reactions in nuclear waste-water-rock systems

    International Nuclear Information System (INIS)

    Wolery, T.J.

    1981-02-01

    Chemical models of aqueous geochemical systems are usually built on the concept of thermodynamic equilibrium. Though many elementary reactions in a geochemical system may be close to equilibrium, others may not be. Chemical models of aqueous fluids should take into account that many aqueous redox reactions are among the latter. The behavior of redox reactions may critically affect migration of certain radionuclides, especially the actinides. In addition, the progress of reaction in geochemical systems requires thermodynamic driving forces associated with elementary reactions not at equilibrium, which are termed irreversible reactions. Both static chemical models of fluids and dynamic models of reacting systems have been applied to a wide spectrum of problems in water-rock interactions. Potential applications in nuclear waste disposal range from problems in geochemical aspects of site evaluation to those of waste-water-rock interactions. However, much further work in the laboratory and the field will be required to develop and verify such applications of chemical modeling

  16. SRD Exhibits ONR Funded Chemical Detector Technology & Supporting Gas Delivery Systems (GDS) AT PITTCON 2005

    National Research Council Canada - National Science Library

    Harmon, Andrew

    2005-01-01

    SRD attended PITTCON 2005 in Orlando, Florida with an exhibitor booth to showcase their chemical detector technology being developed for The Office of Naval Research as well as gas delivery systems (GDS...

  17. Non-Precious Bimetallic Catalysts for Selective Dehydrogenation of an Organic Chemical Hydride System

    KAUST Repository

    Shaikh Ali, Anaam; Jedidi, Abdesslem; Cavallo, Luigi; Takanabe, Kazuhiro

    2015-01-01

    Methylcyclohexane (MCH)-Toluene (TOL) chemical hydride cycles as a hydrogen carrier system is successful with the selective dehydrogenation reaction of MCH to TOL, which has been achieved only using precious Pt-based catalysts. Herein, we report

  18. Combustion flame-plasma hybrid reactor systems, and chemical reactant sources

    Science.gov (United States)

    Kong, Peter C

    2013-11-26

    Combustion flame-plasma hybrid reactor systems, chemical reactant sources, and related methods are disclosed. In one embodiment, a combustion flame-plasma hybrid reactor system comprising a reaction chamber, a combustion torch positioned to direct a flame into the reaction chamber, and one or more reactant feed assemblies configured to electrically energize at least one electrically conductive solid reactant structure to form a plasma and feed each electrically conductive solid reactant structure into the plasma to form at least one product is disclosed. In an additional embodiment, a chemical reactant source for a combustion flame-plasma hybrid reactor comprising an elongated electrically conductive reactant structure consisting essentially of at least one chemical reactant is disclosed. In further embodiments, methods of forming a chemical reactant source and methods of chemically converting at least one reactant into at least one product are disclosed.

  19. Nonequilibrium thermodynamics transport and rate processes in physical, chemical and biological systems

    CERN Document Server

    Demirel, Yasar

    2014-01-01

    Natural phenomena consist of simultaneously occurring transport processes and chemical reactions. These processes may interact with each other and may lead to self-organized structures, fluctuations, instabilities, and evolutionary systems. Nonequilibrium Thermodynamics, 3rd edition emphasizes the unifying role of thermodynamics in analyzing the natural phenomena. This third edition updates and expands on the first and second editions by focusing on the general balance equations for coupled processes of physical, chemical, and biological systems. The new edition contains a new chapte

  20. Toward systems metabolic engineering of Aspergillus and Pichia species for the production of chemicals and biofuels

    DEFF Research Database (Denmark)

    Caspeta, Luis; Nielsen, Jens

    2013-01-01

    trends in systems biology of Aspergillus and Pichia species, highlighting the relevance of these developments for systems metabolic engineering of these organisms for the production of hydrolytic enzymes, biofuels and chemicals from biomass. Metabolic engineering is moving from traditional methods...... for the production of hydrolytic enzymes, biofuels and chemicals from biomass. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim....

  1. Precise tillage systems for enhanced non-chemical weed management

    NARCIS (Netherlands)

    Kurstjens, D.A.G.

    2007-01-01

    Soil and residue manipulation can assist weed management by killing weeds mechanically, interfering in weed lifecycles, facilitating operations and enhancing crop establishment and growth. Current tillage systems often compromise these functions, resulting in heavy reliance on herbicides,

  2. IMMUNE SYSTEM MATURITY AND SENSITIVITY TO CHEMICAL EXPOSURE

    Science.gov (United States)

    It is well established that human diseases associated with abnormal immune function, including some common infectious diseases and asthma, are considerably more prevalent at younger ages. The immune system continues to mature after birth, and functional immaturity accounts for m...

  3. Stochastic chemical kinetics theory and (mostly) systems biological applications

    CERN Document Server

    Érdi, Péter; Lente, Gabor

    2014-01-01

    This volume reviews the theory and simulation methods of stochastic kinetics by integrating historical and recent perspectives, presents applications, mostly in the context of systems biology and also in combustion theory. In recent years, due to the development in experimental techniques, such as optical imaging, single cell analysis, and fluorescence spectroscopy, biochemical kinetic data inside single living cells have increasingly been available. The emergence of systems biology brought renaissance in the application of stochastic kinetic methods.

  4. Advancing Polymerase Ribozymes Towards Self-Replication

    Science.gov (United States)

    Tjhung, K. F.; Joyce, G. F.

    2017-07-01

    Autocatalytic replication and evolution in vitro by (i) a cross-chiral RNA polymerase catalyzing polymerization of mononucleotides of the opposite handedness; (ii) non-covalent assembly of component fragments of an existing RNA polymerase ribozyme.

  5. Cluster electric spectroscopy of colloid chemical oxyhydrate systems

    CERN Document Server

    Sucharev, Yu I

    2015-01-01

    This monograph deals with the shape of Liesegang operator and its respective phase diagrams of spontaneous surges and analyzed properties of cluster attractors. It describes the influence of pulsation noise or self-organization current of gel systems in a magnetic field on singularities of optic parameters of yttrium oxyhydrate, as well as on kinetic curves of changes in optic density of oxyhydrate systems, sorptive properties of d- and f-elements, and the structural organization of their colloids. This monograph is meant for postgraduate students, magisters, researchers, and those interested

  6. Studying chemical reactions in biological systems with MBN Explorer

    DEFF Research Database (Denmark)

    Sushko, Gennady B.; Solov'yov, Ilia A.; Verkhovtsev, Alexey V.

    2016-01-01

    The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations of systems with dynamically changing molecular topologies....... The implementation of the modified force field was carried out in the popular program MBN Explorer, and, to support the development, we provide several illustrative case studies where dynamical topology is necessary. In particular, it is shown that the modified molecular mechanics force field can be applied...

  7. Chemical reaction systems with a homoclinic bifurcation: an inverse problem

    Czech Academy of Sciences Publication Activity Database

    Plesa, T.; Vejchodský, Tomáš; Erban, R.

    2016-01-01

    Roč. 54, č. 10 (2016), s. 1884-1915 ISSN 0259-9791 EU Projects: European Commission(XE) 328008 - STOCHDETBIOMODEL Institutional support: RVO:67985840 Keywords : nonnegative dynamical systems * bifurcations * oscillations Subject RIV: BA - General Mathematics Impact factor: 1.308, year: 2016 http://link.springer.com/article/10.1007%2Fs10910-016-0656-1

  8. Chemical equilibrium in the GaP-HCl and InP-HCl systems

    International Nuclear Information System (INIS)

    Goliusov, V.A.; Voronin, V.A.; Chuchmarev, S.K.

    1983-01-01

    Chemical equilibrium in the GaP-HCl and InP-HCl systems is investigated experimentally, polynomial dependence of the total pressure on temperature (800-1100 K) and hydrochloric aci concntration under the experimental conditions is obtained. The technique for equilibrium calculation in hydrogencontaining chemical systems based on the tensimetric investigation results is suggested. The equilibrium gas phase composition in the GaP(InP)-HCl systems and self consistent, within the framework of the designed equilibrium model thermodynamic characteristics are determined. The effectiveness of gas-phase indium- and gallium phosphides precipitation in the GaP(InP)-HCl systems is calculated

  9. A reliable control system for measurement on film thickness in copper chemical mechanical planarization system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hongkai; Qu, Zilian; Zhao, Qian; Tian, Fangxin; Zhao, Dewen; Meng, Yonggang; Lu, Xinchun [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

    2013-12-15

    In recent years, a variety of film thickness measurement techniques for copper chemical mechanical planarization (CMP) are subsequently proposed. In this paper, the eddy-current technique is used. In the control system of the CMP tool developed in the State Key Laboratory of Tribology, there are in situ module and off-line module for measurement subsystem. The in situ module can get the thickness of copper film on wafer surface in real time, and accurately judge when the CMP process should stop. This is called end-point detection. The off-line module is used for multi-points measurement after CMP process, in order to know the thickness of remained copper film. The whole control system is structured with two levels, and the physical connection between the upper and the lower is achieved by the industrial Ethernet. The process flow includes calibration and measurement, and there are different algorithms for two modules. In the process of software development, C++ is chosen as the programming language, in combination with Qt OpenSource to design two modules’ GUI and OPC technology to implement the communication between the two levels. In addition, the drawing function is developed relying on Matlab, enriching the software functions of the off-line module. The result shows that the control system is running stably after repeated tests and practical operations for a long time.

  10. Wet chemical analysis with a laboratory robotic system

    International Nuclear Information System (INIS)

    Burkett, S.D.; Dyches, G.M.; Spencer, W.A.

    1984-01-01

    Emphasis on laboratory automation has increased in recent years. The desire to improve analytical reliability, increase productivity, and reduce exposure of personnel to hazardous materials has been fundamental to this increase. The Savannah River Laboratory (SRL) performs research and development on nuclear materials. Development of methods to increase efficiency and safety and to reduce exposure of personnel to radioactive materials is an ongoing process at our site. Robotic systems offer a potentially attractive way to achieve these goals

  11. Chemical Cell Lysis System Applicable to Lab-on-a-Disc.

    Science.gov (United States)

    Lim, Dayeseul; Yoo, Jae Chern

    2017-09-01

    The design and fabrication of a heating system has been a significant challenge in implementing chemical lysis on a lab-on-a-disc (LOD). The proposed system contains a sample inlet, phase change material (PCM) array, heating chamber, and valve in a single disc, providing cost-effective, rapid, and fully automated chemical cell lysis. Compared to the conventional cell lysis system, our cell lysis system has many advantages, such as a compact structure that is easily integrated into the LOD and reduced processing time and labor. The experiments are conducted with Salmonella typhimurium strains to demonstrate the performance. The experimental results show that the proposed approach is greatly effective in realizing a chemical cell lysis system on an LOD with higher throughput in terms of purity and yield of DNA.

  12. An ontology on property for physical, chemical, and biological systems.

    Science.gov (United States)

    Dybkaer, René

    2004-01-01

    Current metrological literature, including the International vocabulary of basic and general terms in metrology (VIM 1993), presents a special language slowly evolved without consistent use of the procedures of terminological work; furthermore, nominal properties are excluded by definition. Both deficiencies create problems in fields, such as laboratory medicine, which have to report results of all types of property, preferably in a unified systematic format. The present text aims at forming a domain ontology around "property", with intensional definitions and systematic terms, mainly using the terminological tools--with some additions--provided by the International Standards ISO 704, 1087-1, and 10241. "System" and "component" are defined, "quantity" is discussed, and the generic concept "property" is given as 'inherent state- or process-descriptive feature of a system including any pertinent components'. Previously, the term 'kind-of-quantity' and quasi-synonyms have been used as primitives; the proposed definition of "kind-of-property" is 'common defining aspect of mutually comparable properties'. "Examination procedure", "examination method", "examination principle", and "examination" are defined, avoiding the term 'test'. The need to distinguish between instances of "characteristic", "property", "type of characteristic", "kind-of-property", and "property value" is emphasized; the latter is defined together with "property value scale". These fundamental concepts are presented in a diagram, and the effect of adding essential characteristics to give expanded definitions is exemplified. Substitution usually leads to unwieldy definitions, but reveals circularity as does exhaustive consecutive listing of defining concepts. The top concept may be generically divided according to many terminological dimensions, especially regarding which operators are allowed among the four sets =, not equal to; ; +, -; and x, :. The coordinate concepts defined are termed by the

  13. High temperature nuclear process heat systems for chemical processes

    International Nuclear Information System (INIS)

    Jiacoletti, R.J.

    1976-01-01

    The development planning and status of the very high temperature gas cooled reactor as a source of industrial process heat is presented. The dwindling domestic reserves of petroleum and natural gas dictate major increases in the utilization of coal and nuclear sources to meet the national energy demand. The nuclear process heat system offers a unique combination of the two that is environmentally and economically attractive and technically sound. Conceptual studies of several energy-intensive processes coupled to a nuclear heat source are presented

  14. Thermodynamics of open, nonisothermal chemical systems far from equilibrium

    International Nuclear Information System (INIS)

    Yoshida, Nobuo

    1992-01-01

    The thermodynamic behavior of kinetic models based on a continuously stirred tank reactor (CSTR) is studied in an attempt to seek general trends in the thermodynamic properties of open nonlinear systems. The models consist of two reversible reactions, A + nB rightleftharpoons (n + 1) B (n = 0,1,or 2) and B rightleftharpoons C, taking place in an adiabatic CSTR. The heat of reaction is incorporated, and the rate constants are assumed to follow an Arrhenius temperature dependence. The models give rise to multiple stationary states and sustained oscillations (limit cycles). The entropy difference between stationary or oscillatory states and equilibrium and the rate of entropy production in the these states are calculated as a function of the residence time in the reactor. The entropy difference and entropy production may be taken, to some extent, as indicative of the influence of irreversible processes, which disappears at equilibrium. The results of the calculations reveal the following systematic trends: (I) The entropy difference or entropy production for stable states or both always increase as the residence time is shortened, namely, as the system is displaced further from equilibrium. (II) If stable and unstable states (stationary or oscillatory) coexist under identical conditions, then the stable state invariably has a smaller value of the entropy difference or entropy production or both than the corresponding unstable state. 26 refs., 3 figs

  15. Full reactor coolant system chemical decontamination qualification programs

    Energy Technology Data Exchange (ETDEWEB)

    Miller, P.E. [Westinghouse Electric Corp., Pittsburgh, PA (United States)

    1995-03-01

    Corrosion and wear products are found throughout the reactor coolant system (RCS), or primary loop, of a PWR power plant. These products circulate with the primary coolant through the reactor where they may become activated. An oxide layer including these activated products forms on the surfaces of the RCS (including the fuel elements). The amount of radioactivity deposited on the different surface varies and depends primarily on the corrosion rate of the materials concerned, the amount of cobalt in the coolant and the chemistry of the coolant. The oxide layer, commonly called crud, on the surfaces of nuclear plant systems leads to personnel radiation exposure. The level of the radiation fields from the crud increases with time from initial plant startup and typically levels off after 4 to 6 cycles of plant operation. Thereafter, significant personnel radiation exposure may be incurred whenever major maintenance is performed. Personnel exposure is highest during refueling outages when routine maintenance on major plant components, such as steam generators and reactor coolant pumps, is performed. Administrative controls are established at nuclear plants to minimize the exposure incurred by an individual and the plant workers as a whole.

  16. Influence of chemical peeling on the skin stress response system.

    Science.gov (United States)

    Kimura, Ayako; Kanazawa, Nobuo; Li, Hong-Jin; Yonei, Nozomi; Yamamoto, Yuki; Furukawa, Fukumi

    2012-07-01

    Skin stress response system (SSRS) involves corticotropin-releasing hormone (CRH) and proopiomelanocortin (POMC)-derived peptides, such as adrenocorticotropic hormone (ACTH), a-melanocyte-stimulating hormone (MSH) and b-endorphin that are locally generated in response to locally provided stressors or proinflammatory cytokines. This system would restrict tissue damage and restore local homoeostasis. Trichloroacetic acid (TCA) is one of the most widely used peeling agents and applied for cosmetic treatment of photodamaged skin. However, the biological mechanism responsible for TCA peeling has yet to be fully determined. While our investigation focused on the inflammation and wound healing pathways, in the recent study, we have examined involvement of the SSRS as the third pathway. Mostly depending on our findings that TCA peeling activates the SSRS by inducing the POMC expression of keratinocytes in the CRH-independent manner, together with the results reported by other researchers, we can say that the biological effect of POMC seems to be responsible for the TCA-induced epidermal SSRS activation. © 2012 John Wiley & Sons A/S.

  17. Assessing the chemical contamination dynamics in a mixed land use stream system

    DEFF Research Database (Denmark)

    Sonne, Anne Thobo; McKnight, Ursula S.; Rønde, Vinni

    2017-01-01

    Traditionally, the monitoring of streams for chemical and ecological status has been limited to surface water concentrations, where the dominant focus has been on general water quality and the risk for eutrophication. Mixed land use stream systems, comprising urban areas and agricultural production......, are challenging to assess with multiple chemical stressors impacting stream corridors. New approaches are urgently needed for identifying relevant sources, pathways and potential impacts for implementation of suitable source management and remedial measures. We developed a method for risk assessing chemical...... stressors in these systems and applied the approach to a 16-km groundwater-fed stream corridor (Grindsted, Denmark). Three methods were combined: (i) in-stream contaminant mass discharge for source quantification, (ii) Toxic Units and (iii) environmental standards. An evaluation of the chemical quality...

  18. Chemical models of chains electron transfer in hydroxylating ferment systems

    International Nuclear Information System (INIS)

    Akhrem, A.A.; Kiselev, P.A.; Metelitsa, D.I.

    1977-01-01

    The rate constants are measured of consumption of nicotineamidedinucleotide (NAD-N) during its oxidation by molecular oxygen with the participation of Ti 4+ , Sn 4+ , Cu 2+ , Fe 3+ , VO 2+ , and Ce 4+ ions in mixtures of acetonitrile with water and of dioxane with water taken in a volume ratio of 1:1 (46 deg C). The kinetics of oxidation of NAD-N with the participation of Ti 4+ at 37 deg C in a water-acetonitrile medium is studied in detail. The hydroxylating capacity of the system NAD-N - Ti 4+ - O 2 with respect to naphthalene is proved. The reaction mechanism and its relationship with the microsomal chains of electron transport are discussed

  19. Invariant boxes and stability of some systems from biomathematics and chemical reactions

    International Nuclear Information System (INIS)

    Pavel, N.H.

    1984-08-01

    A general theorem on the flow-invariance of a time-dependent rectangular box with respect to a differential system is first recalled [''Analysis of some non-linear problems'' in Banach Spaces and Applications, Univ. of Iasi (Romania) (1982)]. Then a theorem applicable to the study of some differential systems from biomathematics and chemical reactions is given and proved. The theorem can be applied to enzymatic reactions, the chemical mechanism in the Belousov reaction, and the kinetic system for the chemical scheme of Hanusse of two processes with three intermediate species [in Pavel, N.H., Differential Equations, Flow-invariance and Applications, Pitman Publishing, Ltd., London (to appear)]. Next, the matrices A for which the corresponding linear system x'=Ax is component-wise positive asymptotically stable are characterized. In the Appendix a partial answer to an open problem regarding the preservation of both continuity and dissipativity in the extension of functions to a Banach space is given

  20. Chemical cleaning the service water system at a nuclear power plant

    International Nuclear Information System (INIS)

    Brice, T.O.; Glover, W.A.

    1994-01-01

    Chemical cleaning a large cooling water system in a nuclear power plant presented many unique problems. The selection, qualification, and performance of the cleaning process were done using a phased approach. The piping was inspected to determine the extent of the problem. Deposit samples were removed from the service water system pipe and tested in the laboratory to determine the most effective cleaning solvent for deposit removal. An engineering study was performed to define the design parameters required to implement the system-wide chemical cleaning

  1. Chemical and physical soil attributes in integrated crop-livestock system under no-tillage

    OpenAIRE

    Silva,Hernani Alves da; Moraes,Anibal de; Carvalho,Paulo César de Faccio; Fonseca,Adriel Ferreira da; Caires,Eduardo Fávero; Dias,Carlos Tadeu dos Santos

    2014-01-01

    Although integrated crop-livestock system (ICLS) under no-tillage (NT) is an attractive practice for intensify agricultural production, little regional information is available on the effects of animal grazing and trampling, particularly dairy heifers, on the soil chemical and physical attributes. The objective of this study was to evaluate the effects of animal grazing on the chemical and physical attributes of the soil after 21 months of ICLS under NT in a succession of annual winter pastur...

  2. CHEMSIMUL - A program package for numerical simulation of chemical reaction systems

    International Nuclear Information System (INIS)

    Lang Rasmussen, O.; Bjergbakke, E.

    1984-01-01

    A description is given of a program package, CHEMSIMUL, for numerical simulation of chemical reaction systems. The main components in the package are a translator of chemical equations to differential equations, a balance equation program, a differential equation solver, EPISODE, and an input/output program. The performance of the program is demonstrated by four examples. A manual for the input file and the complete program text with comments are given in Appendices I and II. (author)

  3. Integrating Sustainable Development in Chemical Engineering Education: The Application of an Environmental Management System

    Science.gov (United States)

    Montanes, M. T.; Palomares, A. E.; Sanchez-Tovar, R.

    2012-01-01

    The principles of sustainable development have been integrated in chemical engineering education by means of an environmental management system. These principles have been introduced in the teaching laboratories where students perform their practical classes. In this paper, the implementation of the environmental management system, the problems…

  4. 30 CFR 75.1101-16 - Dry powder chemical systems; sensing and fire-suppression devices.

    Science.gov (United States)

    2010-07-01

    ...-contained dry powder chemical system shall be equipped with sensing devices which shall be designed to activate the fire-control system, sound an alarm and stop the conveyor drive motor in the event of a rise... belt drive, each sensor shall be equipped with a standby power source which shall be capable of...

  5. A new cascade method for studying isotope effect in chemical exchange system without valance change

    International Nuclear Information System (INIS)

    Wen Xiaoning; Luo Wenzong

    1987-01-01

    A new cascade method for studying isotope effect in chemical exchange system without valance change is developed and described. This method is simple to use and consumes less extractant as compared with the commonly used Woodward method. It is also convenient for unstable systems

  6. Chemical separations schemes for partitioning and transmutation systems

    International Nuclear Information System (INIS)

    Laidler, J.

    2002-01-01

    In the initial phase of the U.S. Accelerator Transmutation of Waste (ATW) program, a single-tier system was foreseen in which the transuranics and long-lived fission products (specifically, 99 Tc and 129 I) recovered from spent LWR oxide fuel would be sent directly to an accelerator-driven transmuter reactor [1]. Because the quantity of fuel to be processed annually was so large (almost 1,500 tons per year), an aqueous solvent extraction process was chosen for LWR fuel processing. Without the need to separate transuranics from one another for feed to the transmuter, it became appropriate to develop an advanced aqueous separations method that became known as UREX. The UREX process employs an added reagent (acetohydroxamic acid) that suppresses the extraction of plutonium and promotes the extraction of technetium together with uranium. Technetium can then be efficiently removed from the uranium; the recovered uranium, being highly decontaminated, can be disposed of as a low-level waste or stored in an unshielded facility for future use. Plutonium and the other transuranic elements, plus the remaining fission products, are directed to the liquid waste stream. This stream is calcined, converting the transuranics and fission products to their oxides. The resulting oxide powder, now representing only about four percent of the original mass of the spent fuel, is reduced to metallic form by means of a pyrometallurgical process. Subsequently, the transuranics are separated from the fission products in another pyro-metallurgical step involving molten salt electrorefining

  7. A new chemical system solution for acid gas removal

    Energy Technology Data Exchange (ETDEWEB)

    Seiler, M.; Rolker, J.; Witthaut, D.; Schulze, S. [Evonik Industries AG, Hanau (Germany); Buchholz, S. [Evonik Industries AG, Marl (Germany)

    2012-07-01

    An energy-efficient absorbent formulation fors eparating acid gases (e.g. CO{sub 2}, H2S) from gas streams such as natural gas, syngas or flue gas is important for a number of industrial applications. In many cases, a substantial share of their costs is driven by the operational expenditure (OPEX) of the CO{sub 2} separation unit. One possible strategy for reducing OPEX is the improvement of the absorbent performance. Although a number of absorbents for the separation of CO{sub 2} from gas streams exist, there is still a need to develop CO{sub 2} absorbents with an improved absorption performance, less corrosion and foaming, no nitrosamine formation, lower energy requirement and therefore less OPEX. This contribution aims at giving a brief state-of-the-art overview followed by an introduction and performance characterization of a new family of amine-based CO{sub 2} absorbents. High cyclic capacities in the range of 2.9 to 3.2 mol CO{sub 2} kg{sup -1} absorbent and low absorption enthalpies of about -30 kJ mol{sup -1} allow for significant savings in the regeneration energy of the new absorbent system. Calculations with the modified Kremser model indicate a reduction in the specific reboiler heat duty of 45 %. Moreover, the high-performance absorbents developed show much lower corrosion rates than state-of-the-art solutions that are currently employed. (orig.)

  8. An Experimental Framework for Generating Evolvable Chemical Systems in the Laboratory

    Science.gov (United States)

    Baum, David A.; Vetsigian, Kalin

    2017-12-01

    Most experimental work on the origin of life has focused on either characterizing the chemical synthesis of particular biochemicals and their precursors or on designing simple chemical systems that manifest life-like properties such as self-propagation or adaptive evolution. Here we propose a new class of experiments, analogous to artificial ecosystem selection, where we select for spontaneously forming self-propagating chemical assemblages in the lab and then seek evidence of a response to that selection as a key indicator that life-like chemical systems have arisen. Since surfaces and surface metabolism likely played an important role in the origin of life, a key experimental challenge is to find conditions that foster nucleation and spread of chemical consortia on surfaces. We propose high-throughput screening of a diverse set of conditions in order to identify combinations of "food," energy sources, and mineral surfaces that foster the emergence of surface-associated chemical consortia that are capable of adaptive evolution. Identification of such systems would greatly advance our understanding of the emergence of self-propagating entities and the onset of adaptive evolution during the origin of life.

  9. 40 CFR 63.443 - Standards for the pulping system at kraft, soda, and semi-chemical processes.

    Science.gov (United States)

    2010-07-01

    ... Paper Industry § 63.443 Standards for the pulping system at kraft, soda, and semi-chemical processes. (a... operator of each pulping system using a semi-chemical or soda process subject to the requirements of this... kraft, soda, and semi-chemical processes. 63.443 Section 63.443 Protection of Environment ENVIRONMENTAL...

  10. Application of a reversible chemical reaction system to solar thermal power plants

    Science.gov (United States)

    Hanseth, E. J.; Won, Y. S.; Seibowitz, L. P.

    1980-01-01

    Three distributed dish solar thermal power systems using various applications of SO2/SO3 chemical energy storage and transport technology were comparatively assessed. Each system features various roles for the chemical system: (1) energy storage only, (2) energy transport, or (3) energy transport and storage. These three systems were also compared with the dish-Stirling, using electrical transport and battery storage, and the central receiver Rankine system, with thermal storage, to determine the relative merit of plants employing a thermochemical system. As an assessment criterion, the busbar energy costs were compared. Separate but comparable solar energy cost computer codes were used for distributed receiver and central receiver systems. Calculations were performed for capacity factors ranging from 0.4 to 0.8. The results indicate that SO2/SO3 technology has the potential to be more cost effective in transporting the collected energy than in storing the energy for the storage capacity range studied (2-15 hours)

  11. Development of a Mechanical Analysis System Considering Chemical Transitions of Barrier Materials

    International Nuclear Information System (INIS)

    Sahara, F.; Murakami, T.; Ito, H.; Kobayashi, I.; Yokozeki, K.

    2006-01-01

    An analysis system for the long-term mechanical behavior of barrier materials (MACBECE: Mechanical Analysis system considering Chemical transitions of Bentonite-based and Cement-based materials) was developed in order to improve the reliability of the evaluation of the hydraulic field that is one of the important environmental conditions in the safety assessment of the TRU waste disposal in Japan. The MACBECE is a system that calculates the deformation of barrier materials using their chemical property changes as inputs, and subsequently their hydraulic conductivity taking both their chemical property changes and deformation into consideration. This paper provides a general description of MACBECE and the results of experimental analysis carried out using MACBECE. (authors)

  12. A constrained approach to multiscale stochastic simulation of chemically reacting systems

    KAUST Repository

    Cotter, Simon L.

    2011-01-01

    Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address this problem, assuming that the evolution of the slow species in the system is well approximated by a Langevin process. It is based on the conditional stochastic simulation algorithm (CSSA) which samples from the conditional distribution of the suitably defined fast variables, given values for the slow variables. In the constrained multiscale algorithm (CMA) a single realization of the CSSA is then used for each value of the slow variable to approximate the effective drift and diffusion terms, in a similar manner to the constrained mean-force computations in other applications such as molecular dynamics. We then show how using the ensuing Fokker-Planck equation approximation, we can in turn approximate average switching times in stochastic chemical systems. © 2011 American Institute of Physics.

  13. Algorithmization of problems on the personnel information support in the automatic chemical control systems at NPP

    International Nuclear Information System (INIS)

    Vilkov, N.Ya.; Kryukov, Yu.V.; Cheshun, A.V.

    2001-01-01

    When elaborating software for the standard algorithms of the information support of the efficient control (keeping) of water chemistry operation (WCO) at the NPP power units one introduces an approach when the systems of chemical control are realized as the systems of quality control of in-loop physical and chemical processes gathering force in the course of time. Elaboration of algorithms to proceed data of the operational chemical control seeks for elaboration of the statistic procedures to detect anomalies of the processes at the early stages of their development more efficient in contrast to the standard procedures of control. The introduced procedure is used in the demonstration model of the system for diagnostics of some typical reasons of violation of the first circuit WCO of WWER-1000 power units [ru

  14. INSPACE CHEMICAL PROPULSION SYSTEMS AT NASA's MARSHALL SPACE FLIGHT CENTER: HERITAGE AND CAPABILITIES

    Science.gov (United States)

    McRight, P. S.; Sheehy, J. A.; Blevins, J. A.

    2005-01-01

    NASA s Marshall Space Flight Center (MSFC) is well known for its contributions to large ascent propulsion systems such as the Saturn V rocket and the Space Shuttle external tank, solid rocket boosters, and main engines. This paper highlights a lesser known but very rich side of MSFC-its heritage in the development of in-space chemical propulsion systems and its current capabilities for spacecraft propulsion system development and chemical propulsion research. The historical narrative describes the flight development activities associated with upper stage main propulsion systems such as the Saturn S-IVB as well as orbital maneuvering and reaction control systems such as the S-IVB auxiliary propulsion system, the Skylab thruster attitude control system, and many more recent activities such as Chandra, the Demonstration of Automated Rendezvous Technology (DART), X-37, the X-38 de-orbit propulsion system, the Interim Control Module, the US Propulsion Module, and multiple technology development activities. This paper also highlights MSFC s advanced chemical propulsion research capabilities, including an overview of the center s Propulsion Systems Department and ongoing activities. The authors highlight near-term and long-term technology challenges to which MSFC research and system development competencies are relevant. This paper concludes by assessing the value of the full range of aforementioned activities, strengths, and capabilities in light of NASA s exploration missions.

  15. Performance of two swine manure treatment systems on chemical composition and on the reduction of pathogens.

    Science.gov (United States)

    Viancelli, A; Kunz, A; Steinmetz, R L R; Kich, J D; Souza, C K; Canal, C W; Coldebella, A; Esteves, P A; Barardi, C R M

    2013-01-01

    Swine effluents must be correctly handled to avoid negative environmental impacts. In this study, the profiles of two swine manure treatment systems were evaluated: a solid-liquid separation step, followed by an anaerobic reactor, and an aerobic step (System 1); and a biodigester followed by serial lagoons (System 2). Both systems were described by the assessment of chemical, bacterial and viral parameters. The results showed that in System 1, there was reduction of chemicals (COD, phosphorus, total Kjeldhal nitrogen - TKN - and NH(3)), total coliforms and Escherichia coli; however, the same reduction was not observed for Salmonella sp. Viral particles were significantly reduced but not totally eliminated from the effluent. In System 2, there was a reduction of chemicals, bacteria and viruses with no detection of Salmonella sp., circovirus, parvovirus, and torque teno virus in the effluent. The chemical results indicate that the treated effluent can be reused for cleaning swine facilities. However, the microbiological results show a need of additional treatment to achieve a complete inactivation for cases when direct contact with animals is required. Copyright © 2012 Elsevier Ltd. All rights reserved.

  16. Chemical equilibrium. [maximizing entropy of gas system to derive relations between thermodynamic variables

    Science.gov (United States)

    1976-01-01

    The entropy of a gas system with the number of particles subject to external control is maximized to derive relations between the thermodynamic variables that obtain at equilibrium. These relations are described in terms of the chemical potential, defined as equivalent partial derivatives of entropy, energy, enthalpy, free energy, or free enthalpy. At equilibrium, the change in total chemical potential must vanish. This fact is used to derive the equilibrium constants for chemical reactions in terms of the partition functions of the species involved in the reaction. Thus the equilibrium constants can be determined accurately, just as other thermodynamic properties, from a knowledge of the energy levels and degeneracies for the gas species involved. These equilibrium constants permit one to calculate the equilibrium concentrations or partial pressures of chemically reacting species that occur in gas mixtures at any given condition of pressure and temperature or volume and temperature.

  17. Quality system of the Chemical Analysis Laboratory to fulfill the requirements with Certification Organizations

    International Nuclear Information System (INIS)

    Merlo S, L.; Rodriguez L, R.; Cota S, G.

    1996-01-01

    In the present work was described the Quality System established in the Chemical Analysis Department to fulfill with the Organization requirements, personnel, measurement equipment, calibration, working procedures, etc. to get official acknowledgment by the National Assurance System for Testing laboratories, dependent of the General Standards Direction. There are described the available resources, the performance and control of each of one principal points of the system. (Author)

  18. Construction of a risk assessment system for chemical residues in agricultural products.

    Science.gov (United States)

    Choi, Shinai; Hong, Jiyeon; Lee, Dayeon; Paik, Minkyoung

    2014-01-01

    Continuous monitoring of chemical residues in agricultural and food products has been performed by various government bodies in South Korea. These bodies have made attempts to systematically manage this information by creating a monitoring database system as well as a system based on these data with which to assess the health risk of chemical residues in agricultural products. Meanwhile, a database system is being constructed consisting of information about monitoring and, following this, a demand for convenience has led to the need for an evaluation tool to be constructed with the data processing system. Also, in order to create a systematic and effective tool for the risk assessment of chemical residues in foods and agricultural products, various evaluation models are being developed, both domestically and abroad. Overseas, systems such as Dietary Exposure Evaluation Model: Food Commodity Intake Database and Cumulative and Aggregate Risk Evaluation System are being used; these use the US Environmental Protection Agency as a focus, while the EU has developed Pesticide Residue Intake Model for assessments of pesticide exposure through food intake. Following this, the National Academy of Agricultural Science (NAAS) created the Agricultural Products Risk Assessment System (APRAS) which supports the use and storage of monitoring information and risk assessments. APRAS efficiently manages the monitoring data produced by NAAS and creates an extraction feature included in the database system. Also, the database system in APRAS consists of a monitoring database system held by the NAAS and food consumption database system. Food consumption data is based on Korea National Health and Nutrition Examination Survey. This system is aimed at exposure and risk assessments for chemical residues in agricultural products with regards to different exposure scenarios.

  19. HELP: a model for evaluating the feasibility of using various chemical reaction systems as electronic lasers

    Energy Technology Data Exchange (ETDEWEB)

    Herbelin, J M; Cohen, N

    1975-09-01

    An analytical model for estimating the minimum requirements of a chemically pumped electronic laser is developed. From a knowledge of the basic spectroscopic and thermodynamic properties of a particular reaction, the model can quickly classify the system in accordance with the feasibility of generating stimulated emission at different possible wavelengths. Sample calculations of the reactions of barium atoms with nitrous oxide and nitrogen dioxide indicate that the model is sufficiently sensitive to distinguish between very similar systems and, therefore, should be useful in providing classification criteria in the search for a chemically pumped electronic laser.

  20. The evolution of a LIMS (laboratory information management system). [Chemical analyses at BNFL

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1992-04-01

    Changes in the world and United Kingdom markets for nuclear fuels during the 1990s have prompted British Nuclear Fuels (BNFL) to maximise cost effectiveness in its Chemical and Metallurgical Services department. A laboratory information management system (LIMS) was introduced in order to keep records of analytical techniques and equipment up to date by coordinating various computer systems. Wherever possible automated systems have replaced traditional, labour intensive techniques. So successful has the LIMS system been, that the team now hopes to expand into expert systems. (UK).

  1. Development of chemical cleaning formulation for service water system of FBTR

    International Nuclear Information System (INIS)

    Velmurugan, S.; Narasimhan, S.V.; Das, P.C.; Mathur, P.K.

    1995-01-01

    Service water system of Fast Breeder Test Reactor (FBTR) was found to be corroded and at few locations, the corrosion product oxides were choking the smaller diameter pipelines. An attempt was made to develop a chemical cleaning formulation to chemically remove the oxides using a surface conditioner and chelating agents. Of the several complexants tested, hydroxyethylethylene diamine tetraacetic acid (HEDTA) was found to be better than other complexants from the point of view of oxide dissolution efficiency, solubility etc. A two stage chemical cleaning process involving conditioning of the oxide layer with 0.1% tannic acid followed by exposure of the conditioned oxide layer with a formulation containing 1% HEDTA + 0.5% Sodium Gluconate +0.2% hexamine was recommended to remove the corrosion product oxide present in the service water system. (author). 4 refs., 2 tabs

  2. Recent advances in microbial production of fuels and chemicals using tools and strategies of systems metabolic engineering

    DEFF Research Database (Denmark)

    Cho, Changhee; Choi, So Young; Luo, Zi Wei

    2015-01-01

    The advent of various systems metabolic engineering tools and strategies has enabled more sophisticated engineering of microorganisms for the production of industrially useful fuels and chemicals. Advances in systems metabolic engineering have been made in overproducing natural chemicals...... and producing novel non-natural chemicals. In this paper, we review the tools and strategies of systems metabolic engineering employed for the development of microorganisms for the production of various industrially useful chemicals belonging to fuels, building block chemicals, and specialty chemicals......, in particular focusing on those reported in the last three years. It was aimed at providing the current landscape of systems metabolic engineering and suggesting directions to address future challenges towards successfully establishing processes for the bio-based production of fuels and chemicals from renewable...

  3. Recent advances in microbial production of fuels and chemicals using tools and strategies of systems metabolic engineering.

    Science.gov (United States)

    Cho, Changhee; Choi, So Young; Luo, Zi Wei; Lee, Sang Yup

    2015-11-15

    The advent of various systems metabolic engineering tools and strategies has enabled more sophisticated engineering of microorganisms for the production of industrially useful fuels and chemicals. Advances in systems metabolic engineering have been made in overproducing natural chemicals and producing novel non-natural chemicals. In this paper, we review the tools and strategies of systems metabolic engineering employed for the development of microorganisms for the production of various industrially useful chemicals belonging to fuels, building block chemicals, and specialty chemicals, in particular focusing on those reported in the last three years. It was aimed at providing the current landscape of systems metabolic engineering and suggesting directions to address future challenges towards successfully establishing processes for the bio-based production of fuels and chemicals from renewable resources. Copyright © 2014 Elsevier Inc. All rights reserved.

  4. Numerical prediction of flow and mixing characteristics in CVCS chemical addition system

    International Nuclear Information System (INIS)

    Chang, K.S.

    1999-01-01

    A numerical result of the flow and mixing characteristics is presented for the flow field created by water injected into a cylindrical tank with an initially stationary fluid. The flow is relevant to the operation of the chemical addition system in the chemical and volume control system (CVCS) of nuclear power plants. This study was undertaken to provide a basis for modification of the previous design which gave a number of difficulties in installation and operation of the chemical addition system because it needs a special reciprocating pump with a high actual head. For the tank of length-to-diameter ratios (L/D) of 1, 2 and 3, each with and without a baffle inside, calculation results were obtained by solving the unsteady laminar two-dimensional elliptic forms of governing equations for the mass, momentum and species concentration. Finite-difference method was used to obtain discretization equations, and the SIMPLER solution algorithm was employed for the calculation procedure. Results showed that the baffle was very effective in enhancing the mixing in the tank, and that a baffle should be installed near the tank entrance in order to inject chemicals into the reactor coolant system (RCS) within the operating time required. (orig.)

  5. Consequences of the release of chemical pollutants on the transfers of radiioactive products in aquatic systems

    International Nuclear Information System (INIS)

    Bittel, R.

    1975-01-01

    With the increasing rate of industrial activities, aquatic systems undergo, more and more frequently, the accumulation of chemical and radioactive wastes released separatly or associated in the same discharge. An attempt is made to evaluate the consequence of the association of pollutants on the transfers of neutron activation radionuclides. Emphasis is given to heavy metal pollution and complexing agents [fr

  6. Chemical systems in aqueous solutions for using in the holographic ionizing radiation

    International Nuclear Information System (INIS)

    Nicolau-Rebigan, S.

    1979-01-01

    Some types of chemical systems in aqueous solutions for utilization as active media in holographic ionizing radiation dosimeter are presented. One discussed some advantages of the holographic dosimeter comparatively with another existing types. It is outlined the advantages of using aqueousss solutions as active media in holographic dosimeter. (author)

  7. Chemical Transformation System: Cloud Based Cheminformatic Services to Support Integrated Environmental Modeling

    Science.gov (United States)

    Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not co...

  8. Chemical Transformation System: Cloud Based Cheminformatic Services to Support Integrated Environmental Modeling (proceedings)

    Science.gov (United States)

    Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not co...

  9. Non-Precious Bimetallic Catalysts for Selective Dehydrogenation of an Organic Chemical Hydride System

    KAUST Repository

    Shaikh Ali, Anaam

    2015-07-06

    Methylcyclohexane (MCH)-Toluene (TOL) chemical hydride cycles as a hydrogen carrier system is successful with the selective dehydrogenation reaction of MCH to TOL, which has been achieved only using precious Pt-based catalysts. Herein, we report improved selectivity using non-precious metal nickel-based bimetallic catalysts, where the second metal occupies the unselective step sites.

  10. Silica Retention and Enrichment in Open-System Chemical Weathering on Mars

    Science.gov (United States)

    Yen, A. S.; Ming, D. W.; Gellert, R.; Clark, B. C.; Mittlefehldt, D. W.; Morris, R. V.; Thompson, L. M.; Berger, J.

    2015-01-01

    Chemical signatures of weathering are evident in the Alpha Particle X-ray Spectrometer (APXS) datasets from Gusev Crater, Meridiani Planum, and Gale Crater. Comparisons across the landing sites show consistent patterns indicating silica retention and/or enrichment in open-system aqueous alteration.

  11. On the graph and systems analysis of reversible chemical reaction networks with mass action kinetics

    NARCIS (Netherlands)

    Rao, Shodhan; Jayawardhana, Bayu; Schaft, Arjan van der

    2012-01-01

    Motivated by the recent progresses on the interplay between the graph theory and systems theory, we revisit the analysis of reversible chemical reaction networks described by mass action kinetics by reformulating it using the graph knowledge of the underlying networks. Based on this formulation, we

  12. Measurement of interfacial areas with the chemical method for a system with alternating dispersed phases

    NARCIS (Netherlands)

    van Woezik, B.A.A.; Westerterp, K.R.

    2000-01-01

    The interfacial area for a liquid–liquid system has been determined by the chemical reaction method. The saponification of butyl formate ester with 8 M sodium hydroxide has been used to this end. A correlation has been derived to describe the mole flux of ester through the interface and the kinetic

  13. Simulating chemical systems : MPI and GPU parallelization of novel SD algorithms

    NARCIS (Netherlands)

    Goga, N.

    Molecular dynamics is used for simulating chemical systems with the goal of studying a large range of phenomena starting from cell structures to the design of new materials, drugs, etc. A very important component of molecular dynamics is the use of well-suited atomistic and molecular modelling of

  14. Flow Injection Analysis and Liquid Chromatography for Multifunctional Chemical Analysis (MCA) Systems

    Science.gov (United States)

    Mayo, Ana V.; Loegel, Thomas N.; Bretz, Stacey Lowery; Danielson, Neil D.

    2013-01-01

    The large class sizes of first-year chemistry labs makes it challenging to provide students with hands-on access to instrumentation because the number of students typically far exceeds the number of research-grade instruments available to collect data. Multifunctional chemical analysis (MCA) systems provide a viable alternative for large-scale…

  15. Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives.

    Science.gov (United States)

    Rokob, Tibor András; Srnec, Martin; Rulíšek, Lubomír

    2012-05-21

    In the last decade, we have witnessed substantial progress in the development of quantum chemical methodologies. Simultaneously, robust solvation models and various combined quantum and molecular mechanical (QM/MM) approaches have become an integral part of quantum chemical programs. Along with the steady growth of computer power and, more importantly, the dramatic increase of the computer performance to price ratio, this has led to a situation where computational chemistry, when exercised with the proper amount of diligence and expertise, reproduces, predicts, and complements the experimental data. In this perspective, we review some of the latest achievements in the field of theoretical (quantum) bioinorganic chemistry, concentrating mostly on accurate calculations of the spectroscopic and physico-chemical properties of open-shell bioinorganic systems by wave-function (ab initio) and DFT methods. In our opinion, the one-to-one mapping between the calculated properties and individual molecular structures represents a major advantage of quantum chemical modelling since this type of information is very difficult to obtain experimentally. Once (and only once) the physico-chemical, thermodynamic and spectroscopic properties of complex bioinorganic systems are quantitatively reproduced by theoretical calculations may we consider the outcome of theoretical modelling, such as reaction profiles and the various decompositions of the calculated parameters into individual spatial or physical contributions, to be reliable. In an ideal situation, agreement between theory and experiment may imply that the practical problem at hand, such as the reaction mechanism of the studied metalloprotein, can be considered as essentially solved.

  16. Comparison of chemical solution deposition systems for the fabrication of lead zirconate titanate thin films

    International Nuclear Information System (INIS)

    Lecarpentier, F.; Daglish, M.; Kemmitt, T.

    2001-01-01

    Ferroelectric thin films of lead zirconate titanate Pb(Zr x Ti 1-x )O 3 (PZT) were prepared from five chemical solution deposition (CSD) systems, namely methoxyethanol, citrate, diol, acetic acid and triethanolamine. Physical characteristics of the solutions, processing parameters and physical and electrical properties of the films were used to assess the relative advantages and disadvantages of the different chemical systems. All the CSD systems decomposed to produce single phase perovskite PZT at temperatures above 650 deg C. Thin film deposition was influenced by the specific characteristics of each system such as wetting on the substrate and viscosity. Distinct precursor effects on the thin film crystallinity and electrical performance were revealed. The diol route yielded films with the highest crystallite size, highest permittivity and lowest loss tangent. The relative permittivity exhibited by films made by the other routes were 25% to 35% lower at equivalent thicknesses. Copyright (2001) The Australian Ceramic Society

  17. Chemical and texture characteristics and sensory properties of “mozzarella” cheese from different feeding systems

    Directory of Open Access Journals (Sweden)

    R. Rubino

    2010-02-01

    Full Text Available The aim of this study was describing the chemical composition, the rheological characteristics and the sensory properties of “mozzarella” cheese produced with milk from buffalos fed with different diets. The study involved two farms and four feeding systems. In farm C, one group was mostly fed with Ryegrass Hay (RH and the other group with Ryegrass Silage (RS. In farm T, instead, one group was mostly fed with Corn Silage (CS and the other one with a Sorghum Silage (SS. In summer, three cheesemakings, for each farm and for each feeding system, were carried out at C.R.A. of Bella. In each farm, data were processed by the analysis of variance in order to compare the effects of two feeding systems. Some parameters of chemical and texture characteristics and sensory properties were influenced by the feeding system. Results were remarkable for the DOP products.

  18. Dynamics of the stochastic low concentration trimolecular oscillatory chemical system with jumps

    Science.gov (United States)

    Wei, Yongchang; Yang, Qigui

    2018-06-01

    This paper is devoted to discern long time dynamics through the stochastic low concentration trimolecular oscillatory chemical system with jumps. By Lyapunov technique, this system is proved to have a unique global positive solution, and the asymptotic stability in mean square of such model is further established. Moreover, the existence of random attractor and Lyapunov exponents are obtained for the stochastic homeomorphism flow generated by the corresponding global positive solution. And some numerical simulations are given to illustrate the presented results.

  19. On the detection of chemical reactions in the systems containing tritium and luminescent labels

    International Nuclear Information System (INIS)

    Krasnyanskij, A.V.

    1997-01-01

    Features of detecting chemical processes in scintillation systems containing tritium, are considered on the base of a model, connecting the counting rate with the mass of cenverted substance. It is shown that the character of the cunting rate dependence on the mass of the converted phase is determined by the spatial distribution of scintillating and radioactive phases in microheterogeneous systems. Calculation results can be used for designing sensor elements, based on radionuclide luminescent probe

  20. Optical methods for creating delivery systems of chemical compounds to plant roots

    Science.gov (United States)

    Kuznetsov, Pavel E.; Rogacheva, Svetlana M.; Arefeva, Oksana A.; Minin, Dmitryi V.; Tolmachev, Sergey A.; Kupadze, Machammad S.

    2004-08-01

    Spectrophotometric and fluorescence methods have been used for creation and investigation of various systems of target delivery of chemical compounds to roots of plants. The possibility of using liposomes, incrusted by polysaccharides of the external surface of nitrogen-fixing rizospheric bacteria Azospirillum brasilense SP 245, and nanoparticles incrusted by polysaccharides of wheat roots, as the named systems has been shown. The important role of polysaccharide-polysaccharide interaction in the adsorption processes of bacteria on wheat roots has been demonstrated.

  1. A hybrid solar chemical looping combustion system with a high solar share

    International Nuclear Information System (INIS)

    Jafarian, Mehdi; Arjomandi, Maziar; Nathan, Graham J.

    2014-01-01

    Highlights: • A novel hybrid solar chemical looping combustion system is presented. • This hybrid CLC system integrates a CLC plant with a solar thermal energy plant. • The oxygen carrier particles are used for chemical and sensible thermal energy storage. • A solar cavity reactor is proposed for fuel reactor. • The calculations show a total solar share of around 60% can be achieved. - Abstract: A novel hybrid solar chemical looping combustion (Hy-Sol-CLC) is presented, in which the oxygen carrier particles in a CLC system are employed to provide thermal energy storage for concentrated solar thermal energy. This hybrid aims to take advantage of key features of a chemical looping combustion (CLC) system that are desirable for solar energy systems, notably their inherent chemical and sensible energy storage systems, the relatively low temperature of the “fuel” reactor (to which the concentrated solar thermal energy is added in a hybrid) relative to that of the final temperature of the product gas and the potential to operate the fuel reactor at a different pressure to the heated gas stream. By this approach, it is aimed to achieve high efficiency of the solar energy, infrastructure sharing, economic synergy, base load power generation and a high solar fraction of the total energy. In the proposed Hy-Sol-CLC system, a cavity solar receiver has been chosen for fuel reactor while for the storage of the oxygen carrier particles two reservoirs have been added to a conventional CLC. A heat exchanger is also proposed to provide independent control of the temperatures of the storage reservoirs from those of solar fuel and air reactors. The system is simulated using Aspen Plus software for the average diurnal profile of normal irradiance for Port Augusta, South Australia. The operating temperature of the fuel reactor, solar absorption efficiency, solar share, fraction of the solar thermal energy stored within the solar reactor, the fractions of sensible and

  2. Problems in the development of autonomous mobile laser systems based on a cw chemical DF laser

    International Nuclear Information System (INIS)

    Aleksandrov, B P; Bashkin, A S; Beznozdrev, V N; Parfen'ev, M V; Pirogov, N A; Semenov, S N

    2003-01-01

    The problems involved in designing autonomous mobile laser systems based on high-power cw chemical DF lasers, whose mass and size parameters would make it possible to install them on various vehicles, are discussed. The need for mobility of such lasers necessitates special attention to be paid to the quest for ways and means of reducing the mass and size of the main laser systems. The optimisation of the parameters of such lasers is studied for various methods of scaling their systems. A complex approach to analysis of the optical scheme of the laser system is developed. (special issue devoted to the 80th anniversary of academician n g basov's birth)

  3. Chemical effects in ion mixing of a ternary system (metal-SiO2)

    Science.gov (United States)

    Banwell, T.; Nicolet, M.-A.; Sands, T.; Grunthaner, P. J.

    1987-01-01

    The mixing of Ti, Cr, and Ni thin films with SiO2 by low-temperature (- 196-25 C) irradiation with 290 keV Xe has been investigated. Comparison of the morphology of the intermixed region and the dose dependences of net metal transport into SiO2 reveals that long range motion and phase formation probably occur as separate and sequential processes. Kinetic limitations suppress chemical effects in these systems during the initial transport process. Chemical interactions influence the subsequent phase formation.

  4. Study of highly efficient power generation system based on chemical-looping combustion; Chemical loop nenshoho ni yoru kokoritsu hatsuden system no kaihatsu ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Ishida, S; Suzuki, T; Yamamoto, M [Tokyo Institute of Technology, Tokyo (Japan). Research Laboratory of Resources Utilization

    1997-02-01

    This paper describes the research and development of power generation system by means of chemical-looping combustion. For this system, fuel flows in a reduction reactor and air flows in an oxidation reactor. These two flows are separated. As a result, recovery of CO2 without energy consumption, drastic improvement of power generation efficiency, and suppression of NOx emission are expected. To realize the above, two promising candidates, NiCoO2/YSZ and NiO2/NiAl2O4, have been found as recycle solid particles between the both reactors. These have excellent oxidation/reduction cycle characteristics. By these particles as well as the existing particle, NiO/YSZ, practical application of the chemical-looping combustion is realized. Besides LNG, coal and hydrogen were considered as fuels. When using coal or hydrogen, it was found that temperature of the reduction reactor should be increased the same as that of the oxidation reactor. This is a different point from a case using LNG as a fuel. 5 refs., 2 figs.

  5. Improving integrative searching of systems chemical biology data using semantic annotation.

    Science.gov (United States)

    Chen, Bin; Ding, Ying; Wild, David J

    2012-03-08

    Systems chemical biology and chemogenomics are considered critical, integrative disciplines in modern biomedical research, but require data mining of large, integrated, heterogeneous datasets from chemistry and biology. We previously developed an RDF-based resource called Chem2Bio2RDF that enabled querying of such data using the SPARQL query language. Whilst this work has proved useful in its own right as one of the first major resources in these disciplines, its utility could be greatly improved by the application of an ontology for annotation of the nodes and edges in the RDF graph, enabling a much richer range of semantic queries to be issued. We developed a generalized chemogenomics and systems chemical biology OWL ontology called Chem2Bio2OWL that describes the semantics of chemical compounds, drugs, protein targets, pathways, genes, diseases and side-effects, and the relationships between them. The ontology also includes data provenance. We used it to annotate our Chem2Bio2RDF dataset, making it a rich semantic resource. Through a series of scientific case studies we demonstrate how this (i) simplifies the process of building SPARQL queries, (ii) enables useful new kinds of queries on the data and (iii) makes possible intelligent reasoning and semantic graph mining in chemogenomics and systems chemical biology. Chem2Bio2OWL is available at http://chem2bio2rdf.org/owl. The document is available at http://chem2bio2owl.wikispaces.com.

  6. Improving integrative searching of systems chemical biology data using semantic annotation

    Directory of Open Access Journals (Sweden)

    Chen Bin

    2012-03-01

    Full Text Available Abstract Background Systems chemical biology and chemogenomics are considered critical, integrative disciplines in modern biomedical research, but require data mining of large, integrated, heterogeneous datasets from chemistry and biology. We previously developed an RDF-based resource called Chem2Bio2RDF that enabled querying of such data using the SPARQL query language. Whilst this work has proved useful in its own right as one of the first major resources in these disciplines, its utility could be greatly improved by the application of an ontology for annotation of the nodes and edges in the RDF graph, enabling a much richer range of semantic queries to be issued. Results We developed a generalized chemogenomics and systems chemical biology OWL ontology called Chem2Bio2OWL that describes the semantics of chemical compounds, drugs, protein targets, pathways, genes, diseases and side-effects, and the relationships between them. The ontology also includes data provenance. We used it to annotate our Chem2Bio2RDF dataset, making it a rich semantic resource. Through a series of scientific case studies we demonstrate how this (i simplifies the process of building SPARQL queries, (ii enables useful new kinds of queries on the data and (iii makes possible intelligent reasoning and semantic graph mining in chemogenomics and systems chemical biology. Availability Chem2Bio2OWL is available at http://chem2bio2rdf.org/owl. The document is available at http://chem2bio2owl.wikispaces.com.

  7. Chemical Sensor Systems and Associated Algorithms for Fire Detection: A Review

    Directory of Open Access Journals (Sweden)

    Jordi Fonollosa

    2018-02-01

    Full Text Available Indoor fire detection using gas chemical sensing has been a subject of investigation since the early nineties. This approach leverages the fact that, for certain types of fire, chemical volatiles appear before smoke particles do. Hence, systems based on chemical sensing can provide faster fire alarm responses than conventional smoke-based fire detectors. Moreover, since it is known that most casualties in fires are produced from toxic emissions rather than actual burns, gas-based fire detection could provide an additional level of safety to building occupants. In this line, since the 2000s, electrochemical cells for carbon monoxide sensing have been incorporated into fire detectors. Even systems relying exclusively on gas sensors have been explored as fire detectors. However, gas sensors respond to a large variety of volatiles beyond combustion products. As a result, chemical-based fire detectors require multivariate data processing techniques to ensure high sensitivity to fires and false alarm immunity. In this paper, we the survey toxic emissions produced in fires and defined standards for fire detection systems. We also review the state of the art of chemical sensor systems for fire detection and the associated signal and data processing algorithms. We also examine the experimental protocols used for the validation of the different approaches, as the complexity of the test measurements also impacts on reported sensitivity and specificity measures. All in all, further research and extensive test under different fire and nuisance scenarios are still required before gas-based fire detectors penetrate largely into the market. Nevertheless, the use of dynamic features and multivariate models that exploit sensor correlations seems imperative.

  8. Chemical Sensor Systems and Associated Algorithms for Fire Detection: A Review.

    Science.gov (United States)

    Fonollosa, Jordi; Solórzano, Ana; Marco, Santiago

    2018-02-11

    Indoor fire detection using gas chemical sensing has been a subject of investigation since the early nineties. This approach leverages the fact that, for certain types of fire, chemical volatiles appear before smoke particles do. Hence, systems based on chemical sensing can provide faster fire alarm responses than conventional smoke-based fire detectors. Moreover, since it is known that most casualties in fires are produced from toxic emissions rather than actual burns, gas-based fire detection could provide an additional level of safety to building occupants. In this line, since the 2000s, electrochemical cells for carbon monoxide sensing have been incorporated into fire detectors. Even systems relying exclusively on gas sensors have been explored as fire detectors. However, gas sensors respond to a large variety of volatiles beyond combustion products. As a result, chemical-based fire detectors require multivariate data processing techniques to ensure high sensitivity to fires and false alarm immunity. In this paper, we the survey toxic emissions produced in fires and defined standards for fire detection systems. We also review the state of the art of chemical sensor systems for fire detection and the associated signal and data processing algorithms. We also examine the experimental protocols used for the validation of the different approaches, as the complexity of the test measurements also impacts on reported sensitivity and specificity measures. All in all, further research and extensive test under different fire and nuisance scenarios are still required before gas-based fire detectors penetrate largely into the market. Nevertheless, the use of dynamic features and multivariate models that exploit sensor correlations seems imperative.

  9. Chemical Sensor Systems and Associated Algorithms for Fire Detection: A Review

    Science.gov (United States)

    Fonollosa, Jordi

    2018-01-01

    Indoor fire detection using gas chemical sensing has been a subject of investigation since the early nineties. This approach leverages the fact that, for certain types of fire, chemical volatiles appear before smoke particles do. Hence, systems based on chemical sensing can provide faster fire alarm responses than conventional smoke-based fire detectors. Moreover, since it is known that most casualties in fires are produced from toxic emissions rather than actual burns, gas-based fire detection could provide an additional level of safety to building occupants. In this line, since the 2000s, electrochemical cells for carbon monoxide sensing have been incorporated into fire detectors. Even systems relying exclusively on gas sensors have been explored as fire detectors. However, gas sensors respond to a large variety of volatiles beyond combustion products. As a result, chemical-based fire detectors require multivariate data processing techniques to ensure high sensitivity to fires and false alarm immunity. In this paper, we the survey toxic emissions produced in fires and defined standards for fire detection systems. We also review the state of the art of chemical sensor systems for fire detection and the associated signal and data processing algorithms. We also examine the experimental protocols used for the validation of the different approaches, as the complexity of the test measurements also impacts on reported sensitivity and specificity measures. All in all, further research and extensive test under different fire and nuisance scenarios are still required before gas-based fire detectors penetrate largely into the market. Nevertheless, the use of dynamic features and multivariate models that exploit sensor correlations seems imperative. PMID:29439490

  10. /sup 1/H-NMR chemical shift imaging suitable for low field systems

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Etsuji; Onodera, Takashi; Shiono, Hidemi; Kohno, Hideki

    1986-12-01

    An echo-time encoding proton NMR chemical shift imaging proposed by Dixon is extended to be applicable to low filed systems. The method utilizes the small phase angle between magnetic vectors of water and lipid protons to decrease the signal decays with spin-spin relaxation. The inevitable phase error caused by the static field inhomogeneity is corrected by using phase images of phantom measured under the same conditions as the actual measurements. The experiments were carried out using CuSO/sub 4/ doped water and vegetable oil at 0.5 T. Two chemical shift images could be clearly resolved with only one scan when the field inhomogeneity was larger than the chemical shift difference.

  11. ANALYSIS OF THE MANAGEMENT SYSTEM IN THE FIELD OF ENVIRONMENTAL PROTECTION OF RUSSIAN CHEMICAL COMPANIES

    Directory of Open Access Journals (Sweden)

    Anna Makarov

    2018-03-01

    Full Text Available Since 2007, many chemical industrial companies in the Russian Federation have been actively involved in the Responsible Care® international voluntary program. To implement this program, vast bodies of data on environmental impact assessments needs to be collected. This allows us to analyse the environment-oriented trends in economic and social activities, and to record the achievements and problems in this field. The collected large bodies of data are in many cases heterogeneous, since the report has been a voluntary initiative. To analyse the existing trends in business processes, authors applied the methodology for system analysis of large bodies of data and used their own heuristic approximation algorithm for the treatment of accumulated data. This algorithm gives us the unique possibility of evaluating the performance of both individual chemical companies in the framework of the Responsible Care® program and the Russian chemical industry as a whole.

  12. Network model of chemical-sensing system inspired by mouse taste buds.

    Science.gov (United States)

    Tateno, Katsumi; Igarashi, Jun; Ohtubo, Yoshitaka; Nakada, Kazuki; Miki, Tsutomu; Yoshii, Kiyonori

    2011-07-01

    Taste buds endure extreme changes in temperature, pH, osmolarity, so on. Even though taste bud cells are replaced in a short span, they contribute to consistent taste reception. Each taste bud consists of about 50 cells whose networks are assumed to process taste information, at least preliminarily. In this article, we describe a neural network model inspired by the taste bud cells of mice. It consists of two layers. In the first layer, the chemical stimulus is transduced into an irregular spike train. The synchronization of the output impulses is induced by the irregular spike train at the second layer. These results show that the intensity of the chemical stimulus is encoded as the degree of the synchronization of output impulses. The present algorithms for signal processing result in a robust chemical-sensing system.

  13. A chemical specialty semantic network for the Unified Medical Language System

    Directory of Open Access Journals (Sweden)

    Morrey C

    2012-05-01

    Full Text Available Abstract Background Terms representing chemical concepts found the Unified Medical Language System (UMLS are used to derive an expanded semantic network with mutually exclusive semantic types. The UMLS Semantic Network (SN is composed of a collection of broad categories called semantic types (STs that are assigned to concepts. Within the UMLS’s coverage of the chemical domain, we find a great deal of concepts being assigned more than one ST. This leads to the situation where the extent of a given ST may contain concepts elaborating variegated semantics. A methodology for expanding the chemical subhierarchy of the SN into a finer-grained categorization of mutually exclusive types with semantically uniform extents is presented. We call this network a Chemical Specialty Semantic Network (CSSN. A CSSN is derived automatically from the existing chemical STs and their assignments. The methodology incorporates a threshold value governing the minimum size of a type’s extent needed for inclusion in the CSSN. Thus, different CSSNs can be created by choosing different threshold values based on varying requirements. Results A complete CSSN is derived using a threshold value of 300 and having 68 STs. It is used effectively to provide high-level categorizations for a random sample of compounds from the “Chemical Entities of Biological Interest” (ChEBI ontology. The effect on the size of the CSSN using various threshold parameter values between one and 500 is shown. Conclusions The methodology has several potential applications, including its use to derive a pre-coordinated guide for ST assignments to new UMLS chemical concepts, as a tool for auditing existing concepts, inter-terminology mapping, and to serve as an upper-level network for ChEBI.

  14. Reliability Evaluation and Improvement Approach of Chemical Production Man - Machine - Environment System

    Science.gov (United States)

    Miao, Yongchun; Kang, Rongxue; Chen, Xuefeng

    2017-12-01

    In recent years, with the gradual extension of reliability research, the study of production system reliability has become the hot topic in various industries. Man-machine-environment system is a complex system composed of human factors, machinery equipment and environment. The reliability of individual factor must be analyzed in order to gradually transit to the research of three-factor reliability. Meanwhile, the dynamic relationship among man-machine-environment should be considered to establish an effective blurry evaluation mechanism to truly and effectively analyze the reliability of such systems. In this paper, based on the system engineering, fuzzy theory, reliability theory, human error, environmental impact and machinery equipment failure theory, the reliabilities of human factor, machinery equipment and environment of some chemical production system were studied by the method of fuzzy evaluation. At last, the reliability of man-machine-environment system was calculated to obtain the weighted result, which indicated that the reliability value of this chemical production system was 86.29. Through the given evaluation domain it can be seen that the reliability of man-machine-environment integrated system is in a good status, and the effective measures for further improvement were proposed according to the fuzzy calculation results.

  15. COST ES0602: towards a European network on chemical weather forecasting and information systems

    Directory of Open Access Journals (Sweden)

    J. Kukkonen

    2009-04-01

    Full Text Available The COST ES0602 action provides a forum for benchmarking approaches and practices in data exchange and multi-model capabilities for chemical weather forecasting and near real-time information services in Europe. The action includes approximately 30 participants from 19 countries, and its duration is from 2007 to 2011 (http://www.chemicalweather.eu/. Major efforts have been dedicated in other actions and projects to the development of infrastructures for data flow. We have therefore aimed for collaboration with ongoing actions towards developing near real-time exchange of input data for air quality forecasting. We have collected information on the operational air quality forecasting models on a regional and continental scale in a structured form, and inter-compared and evaluated the physical and chemical structure of these models. We have also constructed a European chemical weather forecasting portal that includes links to most of the available chemical weather forecasting systems in Europe. The collaboration also includes the examination of the case studies that have been organized within COST-728, in order to inter-compare and evaluate the models against experimental data. We have also constructed an operational model forecasting ensemble. Data from a representative set of regional background stations have been selected, and the operational forecasts for this set of sites will be inter-compared and evaluated. The Action has investigated, analysed and reviewed existing chemical weather information systems and services, and will provide recommendations on best practices concerning the presentation and dissemination of chemical weather information towards the public and decision makers.

  16. A hybrid solar and chemical looping combustion system for solar thermal energy storage

    International Nuclear Information System (INIS)

    Jafarian, Mehdi; Arjomandi, Maziar; Nathan, Graham J.

    2013-01-01

    Highlights: ► A novel solar–CLC hybrid system is proposed which integrates a CLC with solar thermal energy. ► The oxygen carrier particles are used as storage medium for thermal energy storage. ► A solar cavity reactor is proposed for fuel reactor. ► The absorbed solar energy is stored in the particles to produce a base heat load. -- Abstract: A novel hybrid of a solar thermal energy and a chemical looping combustion (CLC) system is proposed here, which employs the oxygen carrier particles in a CLC system to provide diurnal thermal energy storage for concentrated solar thermal energy. In taking advantage of the chemical and sensible energy storage systems that are an inherent part of a CLC system, this hybrid offers potential to achieve cost effective, base load power generation for solar energy. In the proposed system, three reservoirs have been added to a conventional CLC system to allow storage of the oxygen carrier particles, while a cavity solar receiver has been chosen for the fuel reactor. The performance of the system is evaluated using ASPEN PLUS software, with the model being validated using independent simulation result reported previously. Operating temperature, solar efficiency, solar fraction, exergy efficiency and the fraction of the solar thermal energy stored for a based load power generation application are reported.

  17. Innovative permeable cover system to reduce risks at a chemical munitions burial site

    International Nuclear Information System (INIS)

    Powels, C.C.; Bon, I.; Okusu, N.M.

    1997-01-01

    An innovative permeable sand cover with various integrated systems has been designed to contain and treat the Old O-Field chemical munitions landfill at Aberdeen Proving Ground, Maryland. The 18,200 m 2 (4.5 acre) landfill was used from the mid 1930s to the mid 1950s for the disposal of chemical, incendiary, and explosive munitions from domestic and foreign origins, together with contaminated wastes associated with the development and production of chemical warfare agents (CWA). The site is suspected to be contaminated with white phosphorous (WP) (which when dry, spontaneously burns when exposed to air), shock sensitive picric acid fuses and has the potential to contain large quantities of CWA-filled munitions. Historically, one to three explosions or fires occurred per ten-year period at the landfill. Such events have the potential to cause a CWA release to the environment, which could potentially affect densely populated areas. Recovery and decontamination projects conducted at the site in the late 1940s and early 1950s used large amounts of decontamination chemicals (containing solvents) and fuels which further contaminated the area. The groundwater downgradient of the landfill is contaminated with volatile organic compounds, metals, explosives and CWA degradation compounds and is currently being contained by a groundwater extraction and treatment system. This report describes a remedial action program for the site

  18. Assessing the chemical contamination dynamics in a mixed land use stream system.

    Science.gov (United States)

    Sonne, Anne Th; McKnight, Ursula S; Rønde, Vinni; Bjerg, Poul L

    2017-11-15

    Traditionally, the monitoring of streams for chemical and ecological status has been limited to surface water concentrations, where the dominant focus has been on general water quality and the risk for eutrophication. Mixed land use stream systems, comprising urban areas and agricultural production, are challenging to assess with multiple chemical stressors impacting stream corridors. New approaches are urgently needed for identifying relevant sources, pathways and potential impacts for implementation of suitable source management and remedial measures. We developed a method for risk assessing chemical stressors in these systems and applied the approach to a 16-km groundwater-fed stream corridor (Grindsted, Denmark). Three methods were combined: (i) in-stream contaminant mass discharge for source quantification, (ii) Toxic Units and (iii) environmental standards. An evaluation of the chemical quality of all three stream compartments - stream water, hyporheic zone, streambed sediment - made it possible to link chemical stressors to their respective sources and obtain new knowledge about source composition and origin. Moreover, toxic unit estimation and comparison to environmental standards revealed the stream water quality was substantially impaired by both geogenic and diffuse anthropogenic sources of metals along the entire corridor, while the streambed was less impacted. Quantification of the contaminant mass discharge originating from a former pharmaceutical factory revealed that several 100 kgs of chlorinated ethenes and pharmaceutical compounds discharge into the stream every year. The strongly reduced redox conditions in the plume result in high concentrations of dissolved iron and additionally release arsenic, generating the complex contaminant mixture found in the narrow discharge zone. The fingerprint of the plume was observed in the stream several km downgradient, while nutrients, inorganics and pesticides played a minor role for the stream health. The

  19. Attempts to identify a control system for chemical reactivity in the living state using virtual energy.

    Science.gov (United States)

    Reid, B L; Bourke, C

    2001-07-01

    This thesis explores the activation of chemicals in metabolic systems from the viewpoint that this activation is under the control of elements of the space-sea in which the chemicals are immersed. Themselves inert, the chemicals are theorised to exploit a force or action issuing from space (fluctuation) and characterized by the homogeneity (termed symmetry) of this medium. The fluctuation is heterogenized upon collision with matter from the intervention of well recognized fields of gravity and electromagnetism at the instant of its issue to form the near field of radiation. Fractions of original space waves and of their intrinsic spin are produced resulting in the activation of the orbitals (valency) in the chemical itself. The thesis continues: the disturbed fluctuation must return to space, obliging in turn, a prior return to the homogeneous state requiring special restorative wave rearrangements known as resonance. The success of the restorative resonance is signalled by a singularity of the fluctuation now propelled to infinity (space), and the contingent chemical reactions thereby terminated. Compromise to this return can occur from many causes and, in its presence, activation of the orbitals continues. They now effectively constitute autonomous reactions alienated from the system as a whole. The thesis is supported from evidence from diverse fields such as space theory, history of quantum field theory in attempts to derive its meaning, dielectrics and the near field of electromagnetic radiation, electron-space interactions at the Fermi surface during phase transitions and evolution of equilibrium conditions in resonance phenomena. The utility of the hypothesis rests on recognition of the resonance condition at various points in the system sufficiently macroscopic as to be available clinically as an abrupt interface between physiology and pathology. Copyright 2001 Harcourt Publishers Ltd.

  20. Estrogenic and anti-androgenic endocrine disrupting chemicals and their impact on the male reproductive system.

    Directory of Open Access Journals (Sweden)

    Maria eDe Falco

    2015-02-01

    Full Text Available Endocrine disrupting chemicals (EDCs are identified for their ability to perturb the homeostasis of endocrine system and hormonal balance. The male reproductive system is under close control of hormones and each change in their concentration and time of exposition and action can induce a deregulation of its physiology. In this review we summarize the most recent studies on two main categories of EDCs with different action: the estrogenic bisphenol A and alkylphenols and the anti-androgenic phthalates. This review describes the main effects of these substances on male reproductive system.

  1. Chemically evolving systems for oil recovery enhancement in heavy oil deposits

    Science.gov (United States)

    Altunina, L. K.; Kuvshinov, I. V.; Kuvshinov, V. A.; Stasyeva, L. A.

    2017-12-01

    This work presents the results of laboratory studies and field tests of new physicochemical technologies for enhanced oil recovery of heavy oil fields under natural development conditions and with thermal-steam stimulation using oil-displacing "smart" systems. The systems are based on surfactants and buffer systems. Their rheological and acid-base properties can be regulated by their chemical evolution directly in the formation. Field tests of the technologies carried out on high-viscosity oil deposit in the Usinskoye oilfield have shown that the EOR technologies are environmentally friendly and technologically effective.

  2. Predicting In Vivo Effect Levels for Repeat Dose Systemic Toxicity using Chemical, Biological, Kinetic and Study Covariates

    Science.gov (United States)

    In an effort to ensure chemical safety while reducing reliance on animal testing, USEPA and L’Oréal have collaborated to address a major challenge in chemical safety assessment using alternative approaches: the prediction of points-of-departure (POD) of systemic effects. Systemic...

  3. Young Investigator Proposal, Research Area 7.4 Reactive Chemical Systems: Multifunctional, Bimetallic Nanomaterials Prepared by Atomic Layer Electroless Deposition

    Science.gov (United States)

    2017-09-30

    Report: Young Investigator Proposal, Research Area 7.4 Reactive Chemical Systems: Multifunctional, Bimetallic Nanomaterials Prepared by Atomic Layer ...Chemical Systems: Multifunctional, Bimetallic Nanomaterials Prepared by Atomic Layer Electroless Deposition Report Term: 0-Other Email: pcappillino... Layer Electroless Deposition (ALED, Figure 1) is the ability to tune growth mechanism, hence growth morphology, by altering conditions. In this

  4. Economic feasibility of an energy efficiency project for a steam distribution system in a chemical industry

    Directory of Open Access Journals (Sweden)

    Flavia Melo Menezes

    2017-12-01

    Full Text Available The burning of fossil fuels majorly contributes to the increase in global warming, and it represents 93% of greenhouse gases emissions in the chemical industry. Most of the energy demand in this sector is associated with steam systems, where 1/3 of the energy efficiency opportunities are located in its distribution system. However, most of the literature focuses on the design of new systems. Those that deal with existing systems, not always use simple and available methods. Furthermore, they address energy losses of steam systems only due to thermal insulation, ignoring those due to leakages of traps. Given this context, the purpose of this paper is to determine the economic feasibility of an energy efficiency project for a steam distribution system in a chemical industry, located in the metropolitan region of Salvador, Brazil. First, the energy lost in the steam distribution system through heat insulation and steam traps was estimated by applying thermodynamic principles, and technic consulting, respectively. Then, investments were estimated using commercial prices for new thermal insulation and steam traps. Finally, an economic evaluation of the improvement project was made, through the construction of a cash flow, and calculation of economic indicators: payback time, net present value (NPV, and internal rate of return (IRR. Economic indicators showed that the project is economically viable. The NPV and IRR reached approximately 5 million reais, and 66% per year, respectively. Additionally, this project also had social and environmental benefits, such as a reduction in greenhouse gases emissions, and increased local water availability.

  5. pH measurements of FET-based (bio)chemical sensors using portable measurement system.

    Science.gov (United States)

    Voitsekhivska, T; Zorgiebel, F; Suthau, E; Wolter, K-J; Bock, K; Cuniberti, G

    2015-01-01

    In this study we demonstrate the sensing capabilities of a portable multiplex measurement system for FET-based (bio)chemical sensors with an integrated microfluidic interface. We therefore conducted pH measurements with Silicon Nanoribbon FET-based Sensors using different measurement procedures that are suitable for various applications. We have shown multiplexed measurements in aqueous medium for three different modes that are mutually specialized in fast data acquisition (constant drain current), calibration-less sensing (constant gate voltage) and in providing full information content (sweeping mode). Our system therefore allows surface charge sensing for a wide range of applications and is easily adaptable for multiplexed sensing with novel FET-based (bio)chemical sensors.

  6. Adaptive Finite Element Method Assisted by Stochastic Simulation of Chemical Systems

    KAUST Repository

    Cotter, Simon L.; Vejchodský , Tomá š; Erban, Radek

    2013-01-01

    Stochastic models of chemical systems are often analyzed by solving the corresponding Fokker-Planck equation, which is a drift-diffusion partial differential equation for the probability distribution function. Efficient numerical solution of the Fokker-Planck equation requires adaptive mesh refinements. In this paper, we present a mesh refinement approach which makes use of a stochastic simulation of the underlying chemical system. By observing the stochastic trajectory for a relatively short amount of time, the areas of the state space with nonnegligible probability density are identified. By refining the finite element mesh in these areas, and coarsening elsewhere, a suitable mesh is constructed and used for the computation of the stationary probability density. Numerical examples demonstrate that the presented method is competitive with existing a posteriori methods. © 2013 Society for Industrial and Applied Mathematics.

  7. Chemical reaction of hexagonal boron nitride and graphite nanoclusters in mechanical milling systems

    Energy Technology Data Exchange (ETDEWEB)

    Muramatsu, Y.; Grush, M.; Callcott, T.A. [Univ. of Tennessee, Knoxville, TN (United States)] [and others

    1997-04-01

    Synthesis of boron-carbon-nitride (BCN) hybrid alloys has been attempted extensively by many researchers because the BCN alloys are considered an extremely hard material called {open_quotes}super diamond,{close_quotes} and the industrial application for wear-resistant materials is promising. A mechanical alloying (MA) method of hexagonal boron nitride (h-BN) with graphite has recently been studied to explore the industrial synthesis of the BCN alloys. To develop the MA method for the BCN alloy synthesis, it is necessary to confirm the chemical reaction processes in the mechanical milling systems and to identify the reaction products. Therefore, the authors have attempted to confirm the chemical reaction process of the h-BN and graphite in mechanical milling systems using x-ray absorption near edge structure (XANES) methods.

  8. Chemical reaction of hexagonal boron nitride and graphite nanoclusters in mechanical milling systems

    International Nuclear Information System (INIS)

    Muramatsu, Y.; Grush, M.; Callcott, T.A.

    1997-01-01

    Synthesis of boron-carbon-nitride (BCN) hybrid alloys has been attempted extensively by many researchers because the BCN alloys are considered an extremely hard material called open-quotes super diamond,close quotes and the industrial application for wear-resistant materials is promising. A mechanical alloying (MA) method of hexagonal boron nitride (h-BN) with graphite has recently been studied to explore the industrial synthesis of the BCN alloys. To develop the MA method for the BCN alloy synthesis, it is necessary to confirm the chemical reaction processes in the mechanical milling systems and to identify the reaction products. Therefore, the authors have attempted to confirm the chemical reaction process of the h-BN and graphite in mechanical milling systems using x-ray absorption near edge structure (XANES) methods

  9. Integrated assessment of chemical stressors and ecological impact in mixed land use stream systems

    DEFF Research Database (Denmark)

    Sonne, Anne Thobo

    activities, including contaminated sites. To determine potential impacts, the chemical quality of both organic (i.e. pharmaceuticals, gasoline constituents, chlorinated solvents, and pesticides) and inorganic (i.e. metals, general water chemistry and macroions) compounds was assessed in all three stream...... multiple compounds (i.e. organic and inorganic chemical stressors) and stream compartments to locate key sources and risk drivers. The approaches and findings in this thesis could truly be helpful for management and future remediation of mixed land use stream systems....... of the different stream compartments thus comprises both temporal and spatial variation. Despite the growing understanding of the complexity, approaches for a holistic risk assessment of the potential impacts in the three stream compartments of a mixed land use stream system are still missing. To investigate...

  10. An overview on emerging bioelectrochemical systems (BESs): Technology for sustainable electricity, waste remediation, resource recovery, chemical production and beyond

    NARCIS (Netherlands)

    Bajracharya, S.; Sharma, M.; Mohanakrishna, Gunda; Benneton, Xochitl Dominguez; Strik, D.P.B.T.B.; Sarma, Priyangshu M.; Pant, Deepak

    2016-01-01

    Bioelectrochemical systems (BESs) are unique systems capable of converting chemical energy into electrical energy (and vice-versa) while employing microbes as catalysts. Such organic wastes including low-strength wastewaters and lignocellulosic biomass were converted into electricity with microbial

  11. Maintenance Management Systems in the Czech Enterprises of Chemical and Food Industries

    Directory of Open Access Journals (Sweden)

    Lenka Branska

    2016-12-01

    Full Text Available Purpose of the article: The aim of this article is to use the results of the qualitative research to describe the current form of maintenance systems used in enterprises of chemical and food industries, and then to discuss and generalize the results. Methodology/methods: The primary qualitative research was conducted in five companies, which can be regarded as typical representatives of the industries. The main objective of the primary research in individual companies was to determine how they perform the strategic and tactical operational planning of maintenance, implementation of these plans and their control. Individual interviews with respondents were used as the research method. The results of the research were processed using the content analysis method. Subsequently, comparison of the findings from individual businesses and subsequent synthesis thereof was performed, which allowed making generalizations. Scientific aim: The scientific aim of the article is to develop knowledge in the field of maintenance management by specifying the form of the maintenance systems utilized in Czech enterprises of the chemical and food industries and identifying the main opportunities for their improvement. Findings: Czech enterprises of the chemical and food industries utilize maintenance management systems. These systems are aimed at prevention, emphasizing the planning of maintenance activities in fixed periodic intervals. Also, they often utilize diagnostic maintenance. However, the maintenance systems currently used cannot be considered fully operational, with regard to the relatively large volume of after-failure repairs. Conclusions: Production equipment maintenance systems are irreplaceable in chemical and food industry enterprises, but there is great potential for improvement. Improvement should be focused on the area of strategic as well as tactical and operational planning of production equipment maintenance. In terms of strategy, the biggest

  12. All-organic microelectromechanical systems integrating specific molecular recognition--a new generation of chemical sensors.

    Science.gov (United States)

    Ayela, Cédric; Dubourg, Georges; Pellet, Claude; Haupt, Karsten

    2014-09-03

    Cantilever-type all-organic microelectromechanical systems based on molecularly imprinted polymers for specific analyte recognition are used as chemical sensors. They are produced by a simple spray-coating-shadow-masking process. Analyte binding to the cantilever generates a measurable change in its resonance frequency. This allows label-free detection by direct mass sensing of low-molecular-weight analytes at nanomolar concentrations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. An integrated computer aided system for integrated design of chemical processes

    DEFF Research Database (Denmark)

    Gani, Rafiqul; Hytoft, Glen; Jaksland, Cecilia

    1997-01-01

    In this paper, an Integrated Computer Aided System (ICAS), which is particularly suitable for solving problems related to integrated design of chemical processes; is presented. ICAS features include a model generator (generation of problem specific models including model simplification and model ...... form the basis for the toolboxes. The available features of ICAS are highlighted through a case study involving the separation of binary azeotropic mixtures. (C) 1997 Elsevier Science Ltd....

  14. Human exposure to endocrine disrupting chemicals: effects on the male and female reproductive systems.

    Science.gov (United States)

    Sifakis, Stavros; Androutsopoulos, Vasilis P; Tsatsakis, Aristeidis M; Spandidos, Demetrios A

    2017-04-01

    Endocrine disrupting chemicals (EDCs) comprise a group of chemical compounds that have been examined extensively due to the potential harmful effects in the health of human populations. During the past decades, particular focus has been given to the harmful effects of EDCs to the reproductive system. The estimation of human exposure to EDCs can be broadly categorized into occupational and environmental exposure, and has been a major challenge due to the structural diversity of the chemicals that are derived by many different sources at doses below the limit of detection used by conventional methodologies. Animal and in vitro studies have supported the conclusion that endocrine disrupting chemicals affect the hormone dependent pathways responsible for male and female gonadal development, either through direct interaction with hormone receptors or via epigenetic and cell-cycle regulatory modes of action. In human populations, the majority of the studies point towards an association between exposure to EDCs and male and/or female reproduction system disorders, such as infertility, endometriosis, breast cancer, testicular cancer, poor sperm quality and/or function. Despite promising discoveries, a causal relationship between the reproductive disorders and exposure to specific toxicants is yet to be established, due to the complexity of the clinical protocols used, the degree of occupational or environmental exposure, the determination of the variables measured and the sample size of the subjects examined. Future studies should focus on a uniform system of examining human populations with regard to the exposure to specific EDCs and the direct effect on the reproductive system. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Experimental study of chaos synchronization in the Belousov-Zhabotinsky chemical system

    International Nuclear Information System (INIS)

    Li Yanni; Chen Lan; Cai Zunsheng; Zhao Xuezhuang

    2004-01-01

    Employing self-adaptive parameter regulation scheme, chaos synchronization in the Belousov-Zhabotinsky-CSTR chemical system has been studied experimentally. By optimizing the combination of regulation parameters, the trend of chaos synchronization is observed and the prediction of chaos synchronization from numerical simulation is thus verified by the experiment. In addition, the difference of sensitivity to noise with the mass coupling scheme and the self-adaptive parameter regulation scheme in chaos synchronization has also been discussed

  16. A versatile transfection assay system to evaluate the biological effects of diverse industrial chemicals.

    Science.gov (United States)

    Koizumi, Shinji; Ohno, Shotaro; Otsuka, Fuminori

    2012-01-01

    Gene expression processes are now recognized as important targets of the toxic effects exerted by industrial chemicals. The transient transfection assay is a powerful tool to evaluate such effects. Thus, we developed a versatile assay system by constructing a basic reporter plasmid in which the regulatory DNA sequence to be studied can easily be substituted. To verify the performance of this system, reporter plasmids carrying any of the three distinct regulatory sequences, estrogen responsive element (ERE), glucocorticoid responsive element (GRE) and xenobiotic responsive element (XRE) were constructed. After transfection of human cells, these plasmids successfully expressed the relevant reporter genes in response to specific inducers, β-estradiol, dexamethasone and 3-methylcholanthrene, respectively. Several industrial chemicals were assayed using these reporter plasmids, and the ability of p-dimethylaminoazobenzene to elevate GRE- and XRE-mediated transcription was detected. α-Naphthylamine and o-tolidine were also observed to increase the XRE-mediated response. The transfection assay system established here will be useful to evaluate the effects of a wide variety of industrial chemicals.

  17. [Advances in novel carrier systems of chemical constituents from spice volatile oils].

    Science.gov (United States)

    Zhang, Jia-jia; Zhu, Yuan; Yu, Jiang-nan; Xu, Xi-ming

    2015-10-01

    Recent years, chemical constituents from spice volatile oils have gained worldwide concern owing to its multiple pharmacological effects and safety for using as the natural antibacterial agents. However, their poor dissolution, strong volatility, serious irritation, weak stability, easy oxidation and low bioavailability characteristics are the major obstacle in the preparation of effective oral formulation and practical application. Therefore, there is an urgent need to select a novel carrier system that can delivery the chemical constituents from spice volatile oils more efficiently with improving their stability as well as alleviating the irritation, and develop the functional food, health products and even medicine for exerting their pharmacological effects, which also is the focus and nodus of the research on their application. This review presents recent systematic studies on their novel carrier systems, including cyclodextrin inclusion complex, liposomes, nanoemulsions, nanoparticles, solid dispersion and so on, and summarizes the characteristics, application range and problems of each novel carrier systems, in order to provide some beneficial thoughts in further developing new products of chemical constituents from spice volatile oils.

  18. Design Tool for Estimating Chemical Hydrogen Storage System Characteristics for Light-Duty Fuel Cell Vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Thornton, Matthew J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Sprik, Samuel [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Brooks, Kriston P. [Pacific Northwest National Laboratory; Tamburello, David A. [Savannah River National Laboratory

    2018-04-07

    The U.S. Department of Energy (DOE) developed a vehicle Framework model to simulate fuel cell-based light-duty vehicle operation for various hydrogen storage systems. This transient model simulates the performance of the storage system, fuel cell, and vehicle for comparison to Technical Targets established by DOE for four drive cycles/profiles. Chemical hydrogen storage models have been developed for the Framework for both exothermic and endothermic materials. Despite the utility of such models, they require that material researchers input system design specifications that cannot be estimated easily. To address this challenge, a design tool has been developed that allows researchers to directly enter kinetic and thermodynamic chemical hydrogen storage material properties into a simple sizing module that then estimates system parameters required to run the storage system model. Additionally, the design tool can be used as a standalone executable file to estimate the storage system mass and volume outside of the Framework model. These models will be explained and exercised with the representative hydrogen storage materials exothermic ammonia borane (NH3BH3) and endothermic alane (AlH3).

  19. Design Tool for Estimating Chemical Hydrogen Storage System Characteristics for Light-Duty Fuel Cell Vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Brooks, Kriston P.; Sprik, Sam; Tamburello, David; Thornton, Matthew

    2018-05-03

    The U.S. Department of Energy (DOE) has developed a vehicle framework model to simulate fuel cell-based light-duty vehicle operation for various hydrogen storage systems. This transient model simulates the performance of the storage system, fuel cell, and vehicle for comparison to DOE’s Technical Targets using four drive cycles/profiles. Chemical hydrogen storage models have been developed for the Framework model for both exothermic and endothermic materials. Despite the utility of such models, they require that material researchers input system design specifications that cannot be easily estimated. To address this challenge, a design tool has been developed that allows researchers to directly enter kinetic and thermodynamic chemical hydrogen storage material properties into a simple sizing module that then estimates the systems parameters required to run the storage system model. Additionally, this design tool can be used as a standalone executable file to estimate the storage system mass and volume outside of the framework model and compare it to the DOE Technical Targets. These models will be explained and exercised with existing hydrogen storage materials.

  20. Molecular finite-size effects in stochastic models of equilibrium chemical systems.

    Science.gov (United States)

    Cianci, Claudia; Smith, Stephen; Grima, Ramon

    2016-02-28

    The reaction-diffusion master equation (RDME) is a standard modelling approach for understanding stochastic and spatial chemical kinetics. An inherent assumption is that molecules are point-like. Here, we introduce the excluded volume reaction-diffusion master equation (vRDME) which takes into account volume exclusion effects on stochastic kinetics due to a finite molecular radius. We obtain an exact closed form solution of the RDME and of the vRDME for a general chemical system in equilibrium conditions. The difference between the two solutions increases with the ratio of molecular diameter to the compartment length scale. We show that an increase in the fraction of excluded space can (i) lead to deviations from the classical inverse square root law for the noise-strength, (ii) flip the skewness of the probability distribution from right to left-skewed, (iii) shift the equilibrium of bimolecular reactions so that more product molecules are formed, and (iv) strongly modulate the Fano factors and coefficients of variation. These volume exclusion effects are found to be particularly pronounced for chemical species not involved in chemical conservation laws. Finally, we show that statistics obtained using the vRDME are in good agreement with those obtained from Brownian dynamics with excluded volume interactions.

  1. A numerical scheme for optimal transition paths of stochastic chemical kinetic systems

    International Nuclear Information System (INIS)

    Liu Di

    2008-01-01

    We present a new framework for finding the optimal transition paths of metastable stochastic chemical kinetic systems with large system size. The optimal transition paths are identified to be the most probable paths according to the Large Deviation Theory of stochastic processes. Dynamical equations for the optimal transition paths are derived using the variational principle. A modified Minimum Action Method (MAM) is proposed as a numerical scheme to solve the optimal transition paths. Applications to Gene Regulatory Networks such as the toggle switch model and the Lactose Operon Model in Escherichia coli are presented as numerical examples

  2. An Intelligent System for Modelling, Design and Analysis of Chemical Processes

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    ICAS, Integrated Computer Aided System, is a software that consists of a number of intelligent tools, which are very suitable, among others, for computer aided modelling, sustainable design of chemical and biochemical processes, and design-analysis of product-process monitoring systems. Each...... the computer aided modelling tool will illustrate how to generate a desired process model, how to analyze the model equations, how to extract data and identify the model and make it ready for various types of application. In sustainable process design, the example will highlight the issue of integration...

  3. The Ansel Adams zone system: HDR capture and range compression by chemical processing

    Science.gov (United States)

    McCann, John J.

    2010-02-01

    We tend to think of digital imaging and the tools of PhotoshopTM as a new phenomenon in imaging. We are also familiar with multiple-exposure HDR techniques intended to capture a wider range of scene information, than conventional film photography. We know about tone-scale adjustments to make better pictures. We tend to think of everyday, consumer, silver-halide photography as a fixed window of scene capture with a limited, standard range of response. This description of photography is certainly true, between 1950 and 2000, for instant films and negatives processed at the drugstore. These systems had fixed dynamic range and fixed tone-scale response to light. All pixels in the film have the same response to light, so the same light exposure from different pixels was rendered as the same film density. Ansel Adams, along with Fred Archer, formulated the Zone System, staring in 1940. It was earlier than the trillions of consumer photos in the second half of the 20th century, yet it was much more sophisticated than today's digital techniques. This talk will describe the chemical mechanisms of the zone system in the parlance of digital image processing. It will describe the Zone System's chemical techniques for image synthesis. It also discusses dodging and burning techniques to fit the HDR scene into the LDR print. Although current HDR imaging shares some of the Zone System's achievements, it usually does not achieve all of them.

  4. Phase rule calculations and the thermodynamics of reactive systems under chemical equilibrium

    Directory of Open Access Journals (Sweden)

    PLATT G. M.

    1999-01-01

    Full Text Available In this paper, we examine the resolution of some phase rule problems within the context of multiple chemical equilibrium reactions, using cubic equations of state and an activity coefficient model. Bubble and dew reactive surfaces, reactive azeotropic loci and reactive critical loci are generated and presented in graphical form. Also isobaric bubble and dew reactive enthalpy loci, which may be useful in the modeling of reactive distillation operations, are depicted. All the formalism here employed is developed within the coordinate transformation of Ung and Doherty, which is appropriate for equilibrium reactive or multireactive systems. The major contribution of this work is the determination of critical loci for reactive or multireactive equilibrium systems. Since it is known that for some class of chemical reactions the kinetics and product distribution exhibit high sensitivity to pressure near criticality, the present study may be useful as a predicting tool in these cases if the chemical equilibrium condition is not too far from the real phenomenon.

  5. Synthesis and investigation of novel shelf-stable, brain-specific chemical delivery system

    International Nuclear Information System (INIS)

    Al-Obaid, Abdulrahman M.; Farag, Hassan A.; Khalil, Ashraf A.; Hamide, Sami G. Abdel; Ahmed, Hassan S.; Al-Affifi, Ahmed M.; Gadkariem Elrasheed, A.; El-Subbagh, Hussein I.; Al-Shabanah, Othman A.; El-Kashef, Hassan A.

    2006-01-01

    A 1, 4-dihydropyridine pyridinium salt type redox system is described as a general and flexible method for site-specific and sustained delivery of drugs into the brain. Monoamine oxidase inhibitors (MAOIs) were used as a model example to be delivered into the brain. Chemical and biological oxidations of these compounds were investigated. The prepared 1, 4-dihydropyridines were subjected to various chemical and biological oxidations to evaluate their ability to cross blood brain barrier (BBB), and to be oxidized biologically into their corresponding quaternary compounds. 1-(Ethioxy-carbonylmethyl)-3, 5-bis[N-(2-fluoro-benzylideneamino)carbamoyl]-1, 4-dyhydropyridine (31) proved to cross BBB in adequate rate and converted by the oxidizing enzymes into the corresponding quaternary salt N-(ethoxycarbolynmethyl)-3, 5-bis[N-(2-fluorobenylideneamino)carbamoyl]pyridimium bromide(20). Stability studies of the synthesized chemical delivery systems (CDSs) at various pH values and temperatures showed the shelf life time of a solution containing compound 31 is 20.53 days at 5C, which recommended a lower storage temperature for such solutions. The prepared CDSs proved to be fairly stable for powder form storage. The stability of the prepared compounds is attributed to the conjugation of the two carboxylic functions at C3 and C5 of the pyridine ring with their adjacent double bonds. These results are in consistency with the original rationale design. (author)

  6. Emergency core cooling system sump chemical effects on strainer head loss

    International Nuclear Information System (INIS)

    Edwards, M.K.; Qiu, L.; Guzonas, D.A.

    2010-01-01

    Chemical precipitates formed in the recovery water following a Loss of Coolant Accident (LOCA) have the potential to increase head loss across the Emergency Core Cooling System (ECCS) strainer, and could lead to cavitation of the ECCS pumps, pump failure and loss of core cooling. AECL, as a strainer vendor and research organization, has been involved in the investigation of chemical effects on head loss for its CANDU® and Pressurized Water Reactor (PWR) customers. The chemical constituents of the recovery sump water depend on the combination of chemistry control additives and the corrosion and dissolution products from metals, concrete, and insulation materials. Some of these dissolution and corrosion products (e.g., aluminum and calcium) may form significant quantities of precipitates. The presence of chemistry control additives such as sodium hydroxide, trisodium phosphate and boric acid can significantly influence the precipitates formed. While a number of compounds may be shown to be thermodynamically possible under the conditions assumed for precipitation, kinetic factors play a large role in the morphology of precipitates. Precipitation is also influenced by insulation debris, which can trap precipitates and act as nucleation sites for heterogeneous precipitation. This paper outlines the AECL approach to resolving the issue of chemical effects on ECCS strainer head loss, which included modeling, bench top testing and reduced-scale testing; the latter conducted using a temperature-controlled variable-flow closed-loop test rig that included an AECL Finned Strainer® test section equipped with a differential pressure transmitter. Models of corrosion product release and the effects of precipitates on head loss will also be presented. Finally, this paper discusses the precipitates found in test debris beds and presents a possible method for chemical effects head loss modeling. (author)

  7. Development of a novel scoring system for identifying emerging chemical risks in the food chain.

    Science.gov (United States)

    Oltmanns, J; Licht, O; Bitsch, A; Bohlen, M-L; Escher, S E; Silano, V; MacLeod, M; Serafimova, R; Kass, G E N; Merten, C

    2018-02-21

    The European Food Safety Authority (EFSA) is responsible for risk assessment of all aspects of food safety, including the establishment of procedures aimed at the identification of emerging risks to food safety. Here, a scoring system was developed for identifying chemicals registered under the European REACH Regulation that could be of potential concern in the food chain using the following parameters: (i) environmental release based on maximum aggregated tonnages and environmental release categories; (ii) biodegradation in the environment; (iii) bioaccumulation and in vivo and in vitro toxicity. The screening approach was tested on 100 data-rich chemicals registered under the REACH Regulation at aggregated volumes of at least 1000 tonnes per annum. The results show that substance-specific data generated under the REACH Regulation can be used to identify potential emerging risks in the food chain. After application of the screening procedure, priority chemicals can be identified as potentially emerging risk chemicals through the integration of exposure, environmental fate and toxicity. The default approach is to generate a single total score for each substance using a predefined weighting scenario. However, it is also possible to use a pivot table approach to combine the individual scores in different ways that reflect user-defined priorities, which enables a very flexible, iterative definition of screening criteria. Possible applications of the approaches are discussed using illustrative examples. Either approach can then be followed by in-depth evaluation of priority substances to ensure the identification of substances that present a real emerging chemical risk in the food chain.

  8. Setting up a mobile Lidar (DIAL) system for detecting chemical warfare agents

    International Nuclear Information System (INIS)

    Tehrani, M Kavosh; Jaafari, E; Mobashery, A; Mohammad, M Malek

    2015-01-01

    The mobile light detection and ranging DIAL system of Malek Ashtar University of Technology has been developed for the detection of chemical warfare agents whose absorption wavelengths are in the range of 9.2–10.8 μm tunable CO 2 lasers of the system. In this paper, this system is first described and then ammonia detection is analyzed experimentally. Also, experimental results of detecting a sarin agent simulant, dimethyl–methyl phosphonate (DMMP), are presented. The power levels received from different ranges to detect specific concentrations of NH 3 and DMMP have been measured and debated. The primary test results with a 150 ns clipped pulse width by passive pinhole plasma shutter indicate that the system is capable of monitoring several species of pollutants in the range of about 1 km, with a 20 m spatial and 2 min temporal resolution. (paper)

  9. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system.

    Science.gov (United States)

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-20

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for chemical reactions far from equilibrium. We mathematically reveal that the control mechanism is formulated as pulse-density modulation control of the fusion-fission timing. We produce the droplet open-reactor system using microfluidic technologies and then perform external control and autonomous feedback control over autocatalytic chemical oscillation reactions far from equilibrium. We believe that this system will be valuable for the dynamical control over self-organized phenomena far from equilibrium in chemical and biomedical studies.

  10. PACSY, a relational database management system for protein structure and chemical shift analysis.

    Science.gov (United States)

    Lee, Woonghee; Yu, Wookyung; Kim, Suhkmann; Chang, Iksoo; Lee, Weontae; Markley, John L

    2012-10-01

    PACSY (Protein structure And Chemical Shift NMR spectroscopY) is a relational database management system that integrates information from the Protein Data Bank, the Biological Magnetic Resonance Data Bank, and the Structural Classification of Proteins database. PACSY provides three-dimensional coordinates and chemical shifts of atoms along with derived information such as torsion angles, solvent accessible surface areas, and hydrophobicity scales. PACSY consists of six relational table types linked to one another for coherence by key identification numbers. Database queries are enabled by advanced search functions supported by an RDBMS server such as MySQL or PostgreSQL. PACSY enables users to search for combinations of information from different database sources in support of their research. Two software packages, PACSY Maker for database creation and PACSY Analyzer for database analysis, are available from http://pacsy.nmrfam.wisc.edu.

  11. Physical and chemical properties of SSM-discharge in the system gas-liquid

    International Nuclear Information System (INIS)

    Chernyak, V.Ya.; Olszewski, S.V.; Evstigneev, M.A.; Tsybulev, P.N.; Voronin, P.N.

    1996-01-01

    Investigation on the influence of solved Na 2 SO 4 and NaOH concentrations on discharge plasma contacting solution, and on the influence of discharge parameters on metal precipitation speed, as well as chemical analysis of precipitant in the system plasma - water solution were performed. After plasma treatment of water solutions of Zn and Al nitrates flake-like and snow-white precipitations appear. Differential thermal and atom-adsorption analysis of precipitations show that metals precipitate as hydroxides. Investigation of the influence of SSM-discharge polarity on plasma-chemical precipitation efficiency show that positive polarity of liquid electrode is more preferable. Probably, this fact takes place because plasma electrode of the second subsystem is the cathode, and thus reactions of cations (metal ions) are more intensive near it. (authors)

  12. PACSY, a relational database management system for protein structure and chemical shift analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Woonghee, E-mail: whlee@nmrfam.wisc.edu [University of Wisconsin-Madison, National Magnetic Resonance Facility at Madison, and Biochemistry Department (United States); Yu, Wookyung [Center for Proteome Biophysics, Pusan National University, Department of Physics (Korea, Republic of); Kim, Suhkmann [Pusan National University, Department of Chemistry and Chemistry Institute for Functional Materials (Korea, Republic of); Chang, Iksoo [Center for Proteome Biophysics, Pusan National University, Department of Physics (Korea, Republic of); Lee, Weontae, E-mail: wlee@spin.yonsei.ac.kr [Yonsei University, Structural Biochemistry and Molecular Biophysics Laboratory, Department of Biochemistry (Korea, Republic of); Markley, John L., E-mail: markley@nmrfam.wisc.edu [University of Wisconsin-Madison, National Magnetic Resonance Facility at Madison, and Biochemistry Department (United States)

    2012-10-15

    PACSY (Protein structure And Chemical Shift NMR spectroscopY) is a relational database management system that integrates information from the Protein Data Bank, the Biological Magnetic Resonance Data Bank, and the Structural Classification of Proteins database. PACSY provides three-dimensional coordinates and chemical shifts of atoms along with derived information such as torsion angles, solvent accessible surface areas, and hydrophobicity scales. PACSY consists of six relational table types linked to one another for coherence by key identification numbers. Database queries are enabled by advanced search functions supported by an RDBMS server such as MySQL or PostgreSQL. PACSY enables users to search for combinations of information from different database sources in support of their research. Two software packages, PACSY Maker for database creation and PACSY Analyzer for database analysis, are available from http://pacsy.nmrfam.wisc.eduhttp://pacsy.nmrfam.wisc.edu.

  13. Modelling of Mass Transfer Phenomena in Chemical and Biochemical Reactor Systems using Computational Fluid Dynamics

    DEFF Research Database (Denmark)

    Larsson, Hilde Kristina

    the velocity and pressure distributions in a fluid. CFD also enables the modelling of several fluids simultaneously, e.g. gas bubbles in a liquid, as well as the presence of turbulence and dissolved chemicals in a fluid, and many other phenomena. This makes CFD an appreciated tool for studying flow structures......, mixing, and other mass transfer phenomena in chemical and biochemical reactor systems. In this project, four selected case studies are investigated in order to explore the capabilities of CFD. The selected cases are a 1 ml stirred microbioreactor, an 8 ml magnetically stirred reactor, a Rushton impeller...... and an ion-exchange reaction are also modelled and compared to experimental data. The thesis includes a comprehensive overview of the fundamentals behind a CFD software, as well as a more detailed review of the fluid dynamic phenomena investigated in this project. The momentum and continuity equations...

  14. Time travel and chemical evolution - a look at the outer solar system

    International Nuclear Information System (INIS)

    Owen, T.

    1987-01-01

    It has been hypothesized that the chemical conditions today on the planets and moons of the outer solar system are similar to conditions on earth soon after it formed. If this is so, much can be learned about the chemistry that led to life on earth. While Jupiter is a poor terrestrial analog, its satellite Europa has a smooth icy surface that may cover a layer of liquid water tens of kilometers deep. It is possible that sunlight could filter through cracks in the ice, providing energy to drive chemical reactions in the water below the ice. It is noted that the surface of Titan may include lakes or oceans of ethane and that Triton may also have liquids on its surface. Studies of cometary nuclei will be undertaken during the Comet Rendezvous-Asteroid Flyby mission

  15. PACSY, a relational database management system for protein structure and chemical shift analysis

    Science.gov (United States)

    Lee, Woonghee; Yu, Wookyung; Kim, Suhkmann; Chang, Iksoo

    2012-01-01

    PACSY (Protein structure And Chemical Shift NMR spectroscopY) is a relational database management system that integrates information from the Protein Data Bank, the Biological Magnetic Resonance Data Bank, and the Structural Classification of Proteins database. PACSY provides three-dimensional coordinates and chemical shifts of atoms along with derived information such as torsion angles, solvent accessible surface areas, and hydrophobicity scales. PACSY consists of six relational table types linked to one another for coherence by key identification numbers. Database queries are enabled by advanced search functions supported by an RDBMS server such as MySQL or PostgreSQL. PACSY enables users to search for combinations of information from different database sources in support of their research. Two software packages, PACSY Maker for database creation and PACSY Analyzer for database analysis, are available from http://pacsy.nmrfam.wisc.edu. PMID:22903636

  16. PACSY, a relational database management system for protein structure and chemical shift analysis

    International Nuclear Information System (INIS)

    Lee, Woonghee; Yu, Wookyung; Kim, Suhkmann; Chang, Iksoo; Lee, Weontae; Markley, John L.

    2012-01-01

    PACSY (Protein structure And Chemical Shift NMR spectroscopY) is a relational database management system that integrates information from the Protein Data Bank, the Biological Magnetic Resonance Data Bank, and the Structural Classification of Proteins database. PACSY provides three-dimensional coordinates and chemical shifts of atoms along with derived information such as torsion angles, solvent accessible surface areas, and hydrophobicity scales. PACSY consists of six relational table types linked to one another for coherence by key identification numbers. Database queries are enabled by advanced search functions supported by an RDBMS server such as MySQL or PostgreSQL. PACSY enables users to search for combinations of information from different database sources in support of their research. Two software packages, PACSY Maker for database creation and PACSY Analyzer for database analysis, are available from http://pacsy.nmrfam.wisc.eduhttp://pacsy.nmrfam.wisc.edu.

  17. The study of thermodynamic properties and transport properties of multicomponent systems with chemical reactions

    Directory of Open Access Journals (Sweden)

    Samujlov E.

    2013-04-01

    Full Text Available In case of system with chemical reaction the most important properties are heat conductivity and heat capacity. In this work we have considered the equation for estimate the component of these properties caused by chemical reaction and ionization processes. We have evaluated the contribution of this part in heat conductivity and heat capacity too. At the high temperatures contribution in heat conductivity from ionization begins to play an important role. We have created a model, which describe partial and full ionization of gases and gas mixtures. In addition, in this work we present the comparison of our result with experimental data and data from numerical simulation. We was used the data about transport properties of middle composition of Russian coals and the data of thermophysical properties of natural gas for comparison.

  18. Pushing the frontiers of first-principles based computer simulations of chemical and biological systems.

    Science.gov (United States)

    Brunk, Elizabeth; Ashari, Negar; Athri, Prashanth; Campomanes, Pablo; de Carvalho, F Franco; Curchod, Basile F E; Diamantis, Polydefkis; Doemer, Manuel; Garrec, Julian; Laktionov, Andrey; Micciarelli, Marco; Neri, Marilisa; Palermo, Giulia; Penfold, Thomas J; Vanni, Stefano; Tavernelli, Ivano; Rothlisberger, Ursula

    2011-01-01

    The Laboratory of Computational Chemistry and Biochemistry is active in the development and application of first-principles based simulations of complex chemical and biochemical phenomena. Here, we review some of our recent efforts in extending these methods to larger systems, longer time scales and increased accuracies. Their versatility is illustrated with a diverse range of applications, ranging from the determination of the gas phase structure of the cyclic decapeptide gramicidin S, to the study of G protein coupled receptors, the interaction of transition metal based anti-cancer agents with protein targets, the mechanism of action of DNA repair enzymes, the role of metal ions in neurodegenerative diseases and the computational design of dye-sensitized solar cells. Many of these projects are done in collaboration with experimental groups from the Institute of Chemical Sciences and Engineering (ISIC) at the EPFL.

  19. Indoor Air Nuclear, Biological, and Chemical Health Modeling and Assessment System

    Energy Technology Data Exchange (ETDEWEB)

    Stenner, Robert D.; Hadley, Donald L.; Armstrong, Peter R.; Buck, John W.; Hoopes, Bonnie L.; Janus, Michael C.

    2001-03-01

    Indoor air quality effects on human health are of increasing concern to public health agencies and building owners. The prevention and treatment of 'sick building' syndrome and the spread of air-borne diseases in hospitals, for example, are well known priorities. However, increasing attention is being directed to the vulnerability of our public buildings/places, public security and national defense facilities to terrorist attack or the accidental release of air-borne biological pathogens, harmful chemicals, or radioactive contaminants. The Indoor Air Nuclear, Biological, and Chemical Health Modeling and Assessment System (IA-NBC-HMAS) was developed to serve as a health impact analysis tool for use in addressing these concerns. The overall goal was to develop a user-friendly fully functional prototype Health Modeling and Assessment system, which will operate under the PNNL FRAMES system for ease of use and to maximize its integration with other modeling and assessment capabilities accessible within the FRAMES system (e.g., ambient air fate and transport models, water borne fate and transport models, Physiologically Based Pharmacokinetic models, etc.). The prototype IA-NBC-HMAS is designed to serve as a functional Health Modeling and Assessment system that can be easily tailored to meet specific building analysis needs of a customer. The prototype system was developed and tested using an actual building (i.e., the Churchville Building located at the Aberdeen Proving Ground) and release scenario (i.e., the release and measurement of tracer materials within the building) to ensure realism and practicality in the design and development of the prototype system. A user-friendly "demo" accompanies this report to allow the reader the opportunity for a "hands on" review of the prototype system's capability.

  20. Assessment of the physico-chemical properties of phases in the Na-U-Pu-O system

    International Nuclear Information System (INIS)

    Kleykamp, H.

    1990-05-01

    A critical review is given on the physico-chemical properties of phases in the Na-O, Na-U-O, Na-Pu-O and Na-U-Pu-O systems. This includes the phase diagrams as well as the crystallographic, mechanical, thermal, thermodynamic, transport, optical and chemical properties. This data is to be used for the modelling of the thermal, mechanical and chemical behaviour of defective LMFBR mixed oxide pins during and after reactor operation. (orig.) [de

  1. Emergency Response System for Pollution Accidents in Chemical Industrial Parks, China

    Directory of Open Access Journals (Sweden)

    Weili Duan

    2015-07-01

    Full Text Available In addition to property damage and loss of lives, environment pollution, such as water pollution and air pollution caused by accidents in chemical industrial parks (CIPs is a significant issue in China. An emergency response system (ERS was therefore planned to properly and proactively cope with safety incidents including fire and explosions occurring in the CIPs in this study. Using a scenario analysis, the stages of emergency response were divided into three levels, after introducing the domino effect, and fundamental requirements of ERS design were confirmed. The framework of ERS was composed mainly of a monitoring system, an emergency command center, an action system, and a supporting system. On this basis, six main emergency rescue steps containing alarm receipt, emergency evaluation, launched corresponding emergency plans, emergency rescue actions, emergency recovery, and result evaluation and feedback were determined. Finally, an example from the XiaoHu Chemical Industrial Park (XHCIP was presented to check on the integrality, reliability, and maneuverability of the ERS, and the result of the first emergency drill with this ERS indicated that the developed ERS can reduce delays, improve usage efficiency of resources, and raise emergency rescue efficiency.

  2. Effects of internal noise in mesoscopic chemical systems near Hopf bifurcation

    International Nuclear Information System (INIS)

    Xiao Tiejun; Ma Juan; Hou Zhonghuai; Xin Houwen

    2007-01-01

    The effects of internal noise in mesoscopic chemical oscillation systems have been studied analytically, in the parameter region close to the deterministic Hopf bifurcation. Starting from chemical Langevin equations, stochastic normal form equations are obtained, governing the evolution of the radius and phase of the stochastic oscillation. By stochastic averaging, the normal form equation can be solved analytically. Stationary distributions of the radius and auto-correlation functions of the phase variable are obtained. It is shown that internal noise can induce oscillation; even no deterministic oscillation exists. The radius of the noise-induced oscillation (NIO) becomes larger when the internal noise increases, but the correlation time becomes shorter. The trade-off between the strength and regularity of the NIO leads to a clear maximum in its signal-to-noise ratio when the internal noise changes, demonstrating the occurrence of internal noise coherent resonance. Since the intensity of the internal noise is inversely proportional to the system size, the phenomenon also indicates the existence of an optimal system size. These theoretical results are applied to a circadian clock system and excellent agreement with the numerical results is obtained

  3. Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems

    Science.gov (United States)

    Winkelmann, Stefanie; Schütte, Christof

    2017-09-01

    Well-mixed stochastic chemical kinetics are properly modeled by the chemical master equation (CME) and associated Markov jump processes in molecule number space. If the reactants are present in large amounts, however, corresponding simulations of the stochastic dynamics become computationally expensive and model reductions are demanded. The classical model reduction approach uniformly rescales the overall dynamics to obtain deterministic systems characterized by ordinary differential equations, the well-known mass action reaction rate equations. For systems with multiple scales, there exist hybrid approaches that keep parts of the system discrete while another part is approximated either using Langevin dynamics or deterministically. This paper aims at giving a coherent overview of the different hybrid approaches, focusing on their basic concepts and the relation between them. We derive a novel general description of such hybrid models that allows expressing various forms by one type of equation. We also check in how far the approaches apply to model extensions of the CME for dynamics which do not comply with the central well-mixed condition and require some spatial resolution. A simple but meaningful gene expression system with negative self-regulation is analysed to illustrate the different approximation qualities of some of the hybrid approaches discussed. Especially, we reveal the cause of error in the case of small volume approximations.

  4. Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems.

    Science.gov (United States)

    Winkelmann, Stefanie; Schütte, Christof

    2017-09-21

    Well-mixed stochastic chemical kinetics are properly modeled by the chemical master equation (CME) and associated Markov jump processes in molecule number space. If the reactants are present in large amounts, however, corresponding simulations of the stochastic dynamics become computationally expensive and model reductions are demanded. The classical model reduction approach uniformly rescales the overall dynamics to obtain deterministic systems characterized by ordinary differential equations, the well-known mass action reaction rate equations. For systems with multiple scales, there exist hybrid approaches that keep parts of the system discrete while another part is approximated either using Langevin dynamics or deterministically. This paper aims at giving a coherent overview of the different hybrid approaches, focusing on their basic concepts and the relation between them. We derive a novel general description of such hybrid models that allows expressing various forms by one type of equation. We also check in how far the approaches apply to model extensions of the CME for dynamics which do not comply with the central well-mixed condition and require some spatial resolution. A simple but meaningful gene expression system with negative self-regulation is analysed to illustrate the different approximation qualities of some of the hybrid approaches discussed. Especially, we reveal the cause of error in the case of small volume approximations.

  5. SOLGASMIX-PV, Chemical System Equilibrium of Gaseous and Condensed Phase Mixtures

    International Nuclear Information System (INIS)

    Besmann, T.M.

    1986-01-01

    1 - Description of program or function: SOLGASMIX-PV, which is based on the earlier SOLGAS and SOLGASMIX codes, calculates equilibrium relationships in complex chemical systems. Chemical equilibrium calculations involve finding the system composition, within certain constraints, which contains the minimum free energy. The constraints are the preservation of the masses of each element present and either constant pressure or volume. SOLGASMIX-PV can calculate equilibria in systems containing a gaseous phase, condensed phase solutions, and condensed phases of invariant and variable stoichiometry. Either a constant total gas volume or a constant total pressure can be assumed. Unit activities for condensed phases and ideality for solutions are assumed, although nonideal systems can be handled provided activity coefficient relationships are available. 2 - Restrictions on the complexity of the problem: The program is designed to handle a maximum of 20 elements, 99 substances, and 10 mixtures, where the gas phase is considered a mixture. Each substance is either a gas or condensed phase species, or a member of a condensed phase mixture

  6. Thermodynamic and physico-chemical fluctuations in hydrothermal systems suitable for the geological cradle of life

    Science.gov (United States)

    Kompanichenko, Vladimir

    Thermodynamic and physico-chemical fluctuations in the medium seem are the necessary factor for the origin of life. Fluctuations are usual phenomena in hydrothermal systems including their outcrops in ocean or terrestrial groundwater aquifers. Investigation of the fluctuations regimes in natural hydrothermal systems can be used in advanced laboratory experiments on prebiotic organic synthesis under changeable conditions. To characterize a scale of the thermodynamic and physic-chemical fluctuations four hydrothermal systems were explored: several terrestrial hydrothermal systems, primarily on the Russian Far East. Temperature of water and water-steam mixture (from boreholes) in Mutnovsky and Pauzhetsky hydrothermal fields (Kamchatka peninsula) ranges from less than 100 o C up to 240 o C. Water from Kuldur thermal basin (in-tracontinental part of the Russian Far East) is characterized with the lower temperature: 60-70 o C. Data of monitoring of pressure, temperature and some chemical parameters in the boreholes of these fields were mathematically processed. Periods of long-range macrofluctuations of pres-sure and temperature in Mutnovsky and Kuldur fields are 2-4.5 months, maximum amplitudes of temperature in the wells' orifices are 53o C and 9 o C correspondingly, maximum amplitude of pressure in Mutnovsky field 34 bars. Periods of minioscillations are from 10 to 70 minutes in Mutnovsky and Pauzhetsky fields, average amplitudes of pressure are 0.2-0.7 bars. These data are comparable with similar data from Mura basin in Slovenia: amplitudes of temperature and pH minioscillations are about 1-2o C and 0.2 correspondingly; there exists strict positive correlation of temperature with pH, K+, Na+, Ca2+, HCO3-, SO42-, Cl-, F-, but concentra-tions of Mg2+, NH4+, CO2 change independently (Kralj, 2000).. The general conclusion is that minifluctuations of thermodynamic and physic-chemical parameters in hydrothermal sys-tems are usual phenomenon. From time to time the

  7. Transport-induced shifts in condensate dew-point and composition in multicomponent systems with chemical reaction

    Science.gov (United States)

    Rosner, D. E.; Nagarajan, R.

    1985-01-01

    Partial heterogeneous condensation phenomena in multicomponent reacting systems are analyzed taking into consideration the chemical element transport phenomena. It is demonstrated that the dew-point surface temperature in chemically reactive systems is not a purely thermodynamic quantity, but is influenced by the multicomponent diffusion and Soret-mass diffusion phenomena. Several distinct dew-points are shown to exist in such systems and, as a result of transport constraints, the 'sharp' locus between two chemically distinct condensates is systematically moved to a difference mainstream composition.

  8. Convergence to equilibrium of renormalised solutions to nonlinear chemical reaction–diffusion systems

    Science.gov (United States)

    Fellner, Klemens; Tang, Bao Quoc

    2018-06-01

    The convergence to equilibrium for renormalised solutions to nonlinear reaction-diffusion systems is studied. The considered reaction-diffusion systems arise from chemical reaction networks with mass action kinetics and satisfy the complex balanced condition. By applying the so-called entropy method, we show that if the system does not have boundary equilibria, i.e. equilibrium states lying on the boundary of R_+^N, then any renormalised solution converges exponentially to the complex balanced equilibrium with a rate, which can be computed explicitly up to a finite-dimensional inequality. This inequality is proven via a contradiction argument and thus not explicitly. An explicit method of proof, however, is provided for a specific application modelling a reversible enzyme reaction by exploiting the specific structure of the conservation laws. Our approach is also useful to study the trend to equilibrium for systems possessing boundary equilibria. More precisely, to show the convergence to equilibrium for systems with boundary equilibria, we establish a sufficient condition in terms of a modified finite-dimensional inequality along trajectories of the system. By assuming this condition, which roughly means that the system produces too much entropy to stay close to a boundary equilibrium for infinite time, the entropy method shows exponential convergence to equilibrium for renormalised solutions to complex balanced systems with boundary equilibria.

  9. Coulombic Interaction in Finnish Middle School Chemistry: A Systemic Perspective on Students' Conceptual Structure of Chemical Bonding

    Science.gov (United States)

    Joki, Jarkko; Lavonen, Jari; Juuti, Kalle; Aksela, Maija

    2015-01-01

    The aim of this study was to design a novel and holistic way to teach chemical bonding at the middle school level according to research on the teaching and learning of bonding. A further aim was to investigate high achieving middle school students' conceptual structures concerning chemical bonding by using a systemic perspective. Students in one…

  10. Report from the Third Annual Symposium of the RIKEN-Max Planck Joint Research Center for Systems Chemical Biology.

    Science.gov (United States)

    Brunschweiger, Andreas

    2014-08-15

    The third Annual Symposium of the RIKEN-Max Planck Joint Research Center for Systems Chemical Biology was held at Ringberg castle, May 21-24, 2014. At this meeting 45 scientists from Japan and Germany presented the latest results from their research spanning a broad range of topics in chemical biology and glycobiology.

  11. Geometrical Description of Chemical Equilibrium and Le Cha^telier's Principle: Two-Component Systems

    Science.gov (United States)

    Novak, Igor

    2018-01-01

    Chemical equilibrium is one of the most important concepts in chemistry. The changes in properties of the chemical system at equilibrium induced by variations in pressure, volume, temperature, and concentration are always included in classroom teaching and discussions. This work introduces a novel, geometrical approach to understanding the…

  12. "Toward High School Biology": Helping Middle School Students Understand Chemical Reactions and Conservation of Mass in Nonliving and Living Systems

    Science.gov (United States)

    Herrmann-Abell, Cari F.; Koppal, Mary; Roseman, Jo Ellen

    2016-01-01

    Modern biology has become increasingly molecular in nature, requiring students to understand basic chemical concepts. Studies show, however, that many students fail to grasp ideas about atom rearrangement and conservation during chemical reactions or the application of these ideas to biological systems. To help provide students with a better…

  13. Toxicity evaluation and prediction of toxic chemicals on activated sludge system.

    Science.gov (United States)

    Cai, Bijing; Xie, Li; Yang, Dianhai; Arcangeli, Jean-Pierre

    2010-05-15

    The gaps of data for evaluating toxicity of new or overloaded organic chemicals on activated sludge system resulted in the requirements for methodology of toxicity estimation. In this study, 24 aromatic chemicals typically existed in the industrial wastewater were selected and classified into three groups of benzenes, phenols and anilines. Their toxicity on activated sludge was then investigated. Two indexes of IC(50-M) and IC(50-S) were determined respectively from the respiration rates of activated sludge with different toxicant concentration at mid-term (24h) and short-term (30min) time intervals. Experimental results showed that the group of benzenes was the most toxic, followed by the groups of phenols and anilines. The values of IC(50-M) of the tested chemicals were higher than those of IC(50-S). In addition, quantitative structure-activity relationships (QSARs) models developed from IC(50-M) were more stable and accurate than those of IC(50-S). The multiple linear models based on molecular descriptors and K(ow) presented better reliability than single linear models based on K(ow). Among these molecular descriptors, E(lumo) was the most important impact factor for evaluation of mid-term toxicity. Copyright (c) 2009 Elsevier B.V. All rights reserved.

  14. Hypothalamic-mediated model for systemic lupus erythematosis: relation to hemispheric chemical dominance.

    Science.gov (United States)

    Kurup, Ravi Kumar; Kurup, Parameswara Achutha

    2003-11-01

    The isoprenoid pathway including endogenous digoxin was assessed in systemic lupus erythematosis (SLE). All the patients with SLE were right-handed/left hemispheric dominant by the dichotic listening test. This was also studied for comparison in patients with right hemispheric and left hemispheric dominance. The isoprenoid pathway was upregulated with increased digoxin synthesis in patients with SLE and in those with right hemispheric dominance. In this group of patients (i) the tryptophan catabolites were increased and the tyrosine catabolites reduced, (ii) the dolichol and glycoconjugate levels were elevated, (iii) lysosomal stability was reduced, (iv) ubiquinone levels were low and free radical levels increased, and (v) the membrane cholesterol:phospholipid ratios were increased and membrane glycoconjugates reduced. On the other hand, in patients with left hemispheric dominance the reverse patterns were obtained. The biochemical patterns obtained in SLE is similar to those obtained in left-handed/right hemispheric chemically dominant individuals. But all the patients with SLE were right-handed/left hemispheric dominant by the dichotic listening test. Hemispheric chemical dominance has no correlation with handedness or the dichotic listening test. SLE occurs in right hemispheric chemically dominant individuals, and is a reflection of altered brain function. The role of the isoprenoid pathway in the pathogenesis of SLE and its relation to hemispheric dominance is discussed.

  15. Preliminary physico-chemical results obtained on water using new data acquisition systems for deep wells

    International Nuclear Information System (INIS)

    Vinson, J.M.; Peyrus, J.C.

    1984-02-01

    Data acquisition systems recently developed in the context of research on deep storage facilities have provided with an initial set of interesting observations for the physico-chemical study of boreholes. It is possible to make correlations between the chemical compositions of water, pH and the nature of the substrate. The sampling done at Auriat with a Gerhardt-Owen probe shows the variability in the composition of water as a function of depth. The variation in calcium content, following that of pH, is particularly notable. Examination of pH measurements is of particular interest. A general gradient correlates exactly with the nature of the substrate. Whereas steel piping has a very alkaline pH, distinct pH values correspond to the two types of granite substrate. In this general gradient, series of disturbances can be seen which correspond perfectly to fracturation zones or large fractures. These most promising preliminary results lead to believe that in situ physico-chemical measurements should be continued and developed with a view to improved evaluation of the safety of deep storage facilities

  16. Integrated Environmental Risk Assessment and Whole-Process Management System in Chemical Industry Parks

    Science.gov (United States)

    Shao, Chaofeng; Yang, Juan; Tian, Xiaogang; Ju, Meiting; Huang, Lei

    2013-01-01

    Chemical industry parks in China are considered high-risk areas because they present numerous risks that can damage the environment, such as pollution incidents. In order to identify the environmental risks and the principal risk factors in these areas, we have developed a simple physical model of a regional environmental risk field (ERF) using existing dispersal patterns and migration models. The regional ERF zoning was also conducted and a reference value for diagnostic methods was developed to determine risk-acceptable, risk-warning, and risk-mitigation zones, which can provide a risk source layout for chemical industry parks. In accordance with the environmental risk control requirements, this study focused on the three stages of control and management of environmental risk and established an environmental risk management system including risk source identification and assessment, environmental safety planning, early risk warning, emergency management, assessment of environmental effects, and environmental remediation of pollution accidents. By using this model, the environmental risks in Tianjin Binhai New Area, the largest chemical industry park in China, were assessed and the environmental risk zoning map was drawn, which suggested the existence of many unacceptable environmental risks in this area. Thus, relevant suggestions have been proposed from the perspective of the adjustment of risk source layout, intensified management of environmental risk control and so on. PMID:23603866

  17. Integrated environmental risk assessment and whole-process management system in chemical industry parks.

    Science.gov (United States)

    Shao, Chaofeng; Yang, Juan; Tian, Xiaogang; Ju, Meiting; Huang, Lei

    2013-04-19

    Chemical industry parks in China are considered high-risk areas because they present numerous risks that can damage the environment, such as pollution incidents. In order to identify the environmental risks and the principal risk factors in these areas, we have developed a simple physical model of a regional environmental risk field (ERF) using existing dispersal patterns and migration models. The regional ERF zoning was also conducted and a reference value for diagnostic methods was developed to determine risk-acceptable, risk-warning, and risk-mitigation zones, which can provide a risk source layout for chemical industry parks. In accordance with the environmental risk control requirements, this study focused on the three stages of control and management of environmental risk and established an environmental risk management system including risk source identification and assessment, environmental safety planning, early risk warning, emergency management, assessment of environmental effects, and environmental remediation of pollution accidents. By using this model, the environmental risks in Tianjin Binhai New Area, the largest chemical industry park in China, were assessed and the environmental risk zoning map was drawn, which suggested the existence of many unacceptable environmental risks in this area. Thus, relevant suggestions have been proposed from the perspective of the adjustment of risk source layout, intensified management of environmental risk control and so on.

  18. Integrated Environmental Risk Assessment and Whole-Process Management System in Chemical Industry Parks

    Directory of Open Access Journals (Sweden)

    Lei Huang

    2013-04-01

    Full Text Available Chemical industry parks in China are considered high-risk areas because they present numerous risks that can damage the environment, such as pollution incidents. In order to identify the environmental risks and the principal risk factors in these areas, we have developed a simple physical model of a regional environmental risk field (ERF using existing dispersal patterns and migration models. The regional ERF zoning was also conducted and a reference value for diagnostic methods was developed to determine risk-acceptable, risk-warning, and risk-mitigation zones, which can provide a risk source layout for chemical industry parks. In accordance with the environmental risk control requirements, this study focused on the three stages of control and management of environmental risk and established an environmental risk management system including risk source identification and assessment, environmental safety planning, early risk warning, emergency management, assessment of environmental effects, and environmental remediation of pollution accidents. By using this model, the environmental risks in Tianjin Binhai New Area, the largest chemical industry park in China, were assessed and the environmental risk zoning map was drawn, which suggested the existence of many unacceptable environmental risks in this area. Thus, relevant suggestions have been proposed from the perspective of the adjustment of risk source layout, intensified management of environmental risk control and so on.

  19. CMSMAP : oil, chemical, search and rescue, and marine emergency response crisis management system

    International Nuclear Information System (INIS)

    Anderson, E.L.; Howlett, E.; Galagan, C.; Giguere, T.; Wee, F.; Chong, J.

    2002-01-01

    This paper describes a newly developed Crisis Management System (CMS) which makes it possible to view oil and chemical spills on the seafloor. The CMS is designed to run in a network environment, so that multiple stations can be used cooperatively to respond to a spill incident. It was developed by the Maritime and Port Authority in Singapore and represents a singular integration of a ship's bridge simulator hardware and software. It incorporates numerical models and emergency response software. The CMS is installed in a specifically designed building at the Singapore Polytechnic University, and is integrated with two shipping bridge simulators. One user interface has access to models dealing with oil spills, chemical spills, search and rescues, marine emergencies, and nuclear disasters. The interface is linked to a response management system. The entire system is used to train response personnel to marine emergencies. The histories and costs of planned response activities are described and logged for reference purposes. Estimates of damages associated with spills can be obtained. Alternative response plans can also be determined. Further research in 2002 will focus on developing real time response. 3 refs., 6 figs

  20. Chemical components, pharmacological properties, and nanoparticulate delivery systems of Brucea javanica

    Directory of Open Access Journals (Sweden)

    Peng X

    2013-01-01

    Full Text Available Meiwan Chen,1,‡ Ruie Chen,1,‡ Shengpeng Wang,1 Wen Tan,1 Yangyang Hu,1 Xinsheng Peng,2 Yitao Wang11State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China; 2School of Pharmaceutical Sciences, Guangdong Medical College, Dongguan, China‡These authors contributed equally to this workAbstract: Brucea javanica has demonstrated a variety of antitumoral, antimalarial, and anti-inflammatory properties. As a Chinese herbal medicine, Brucea javanica is mainly used in the treatment of lung and gastrointestinal cancers. Pharmacological research has identified the main antitumor components are tetracyclic triterpene quassinoids. However, most of these active components have poor water solubility and low bioavailability, which greatly limit their clinical application. Nanoparticulate delivery systems are urgently needed to improve the bioavailability of Brucea javanica. This paper mainly focuses on the chemical components in Brucea javanica and its pharmacological properties and nanoparticulate formulations, in an attempt to encourage further research on its active components and nanoparticulate drug delivery systems to expand its clinical applications. It is expected to improve the level of pharmaceutical research and provide a strong scientific foundation for further study on the medicinal properties of this plant.Keywords: Brucea javanica, chemical components, pharmacology, nanoparticulate delivery systems

  1. The Changes of Earthworm Population and Chemical Properties of Tropical Soils under Different Land Use Systems

    Directory of Open Access Journals (Sweden)

    Sri Yusnaini

    2008-05-01

    Full Text Available Hilly area Sumberjaya, West Lampung Province, South Sumatra, Indonesia, is one of the Province where deforestation increasing in the past 30 years as a result of the implementation of agricultural systems, especially coffee plantation. it is important to study the soil fauna in these natural relicts. Six sites (3 naturals and 3 managed systems were studied in order to identify earthworm species communities, using the hand sorting method and soil chemical parameters (pH, avail-P, org-C., tot-N, and cation exchange capacity (CEC. Two species were found (Pheretima sp. and Pontoscolex sp.. All land use systems had very similar soil chemical characteristics, there can be characterised as acidic (pH between 3.6 and 5.0. A high content of organic carbon was in natural sites (bush 4.0% and primary forest 3.9%, and a low content was in managed sites (coffee plantation 2.1%. Total nitrogen (0.37% and CEC (21.84 Cmol-c kg-1 was in primary forest. However, the earthworm densities were significantly lower under primary forest than in the other sites. The acidity component explained mainly the lowest earthworm population at the primary forest (soil pH 3.6. The use of succession forest (bush and mix farming showed a positive effect on soil fertility.

  2. Endocrine-disrupting chemicals-Mechanisms of action on male reproductive system.

    Science.gov (United States)

    Sidorkiewicz, Iwona; Zaręba, Kamil; Wołczyński, Sławomir; Czerniecki, Jan

    2017-07-01

    Endocrine-disrupting chemicals (EDCs) are exogenous compounds that can cause disturbances in the endocrine system and have multiple harmful effects on health by targeting different organs and systems in the human body. Mass industrial production and widespread use of EDCs have resulted in worldwide contamination. Accumulating evidence suggest that human exposure to EDCs is related to the impairment of male reproductive function and can interrupt other hormonally regulated metabolic processes, particularly if exposure occurs during early development. Investigation of studies absent in previous reviews and meta-analysis of adverse effects of EDCs on functioning of the male reproductive system is the core of this work. Four main modes of action of EDCs on male fertility have been summarized in this review. First, studies describing estrogen- pathway disturbing chemicals are investigated. Second, androgen-signaling pathway alterations and influence on androgen sensitive tissues are examined. Third, evaluation of steroidogenesis dysfunction is discussed by focusing on the steroid hormone biosynthesis pathway, which is targeted by EDCs. Last, the reportedly destructive role of reactive oxygen species (ROS) on sperm function is discussed. Spermatogenesis is a remarkably complex process, hence multiple studies point out various dysfunctions depending on the development state at which the exposure occurred. Collected data show the need to account for critical windows of exposure such as fetal, perinatal and pubertal periods as well as effects of mixtures of several compounds in future research.

  3. Analysis of the trend to equilibrium of a chemically reacting system

    International Nuclear Information System (INIS)

    Kremer, Gilberto M; Bianchi, Miriam Pandolfi; Soares, Ana Jacinta

    2007-01-01

    In this present paper, a quaternary gaseous reactive mixture, for which the chemical reaction is close to its final stage and the elastic and reactive frequencies are comparable, is modelled within the Boltzmann equation extended to reacting gases. The main objective is a detailed analysis of the non-equilibrium effects arising in the reactive system A 1 + A 2 ↔ A 3 + A 4 , in a flow regime which is considered not far away from thermal, mechanical and chemical equilibrium. A first-order perturbation solution technique is applied to the macroscopic field equations for the spatially homogeneous gas system, and the trend to equilibrium is studied in detail. Adopting elastic hard-spheres and reactive line-of-centres cross sections and an appropriate choice of the input distribution functions-which allows us to distinguish the two cases where the constituents are either at same or different temperatures-explicit computations of the linearized production terms for mass, momentum and total energy are performed for each gas species. The departures from the equilibrium states of densities, temperatures and diffusion fluxes are characterized by small perturbations of their corresponding equilibrium values. For the hydrogen-chlorine system, the perturbations are plotted as functions of time for both cases where the species are either at the same or different temperatures. Moreover, the trend to equilibrium of the reaction rates is represented for the forward and backward reaction H 2 + Cl ↔ HCl + H

  4. Chemical changes in the chloroform-paraffin system irradiated by 60Co gamma-rays, 1

    International Nuclear Information System (INIS)

    Yoshino, Tomio; Sakaue, Muneko; Shimizu, Yasuko; Kawamura, Fumio.

    1979-01-01

    It has been reported that the chloroform-paraffin-dye system have excellent sensitivity for radiation as a solid chemical dosimeter or a phantom. However, the chemical changes in the irradiated system are not examined in detail. In the present study, the effect of paraffin on changes in the above system of a liquid state irradiated by 60 Co γ-rays was examined by using various normal paraffin, and the other variable factors on the changes were done. When the chloroform solution and the solution containing 25 per cent of paraffin by volume with 5.0 x 15 -5 mol/liter of Methyl Yellow as a dye were irradiated by 2000 R, G values for the formation of hydrogen chloride in the both solutions were 8.4 and 10.8, respectively, and were little affected by the kind of those, from C 6 (hexane) to C 36 (hexatria-contane). These results suggest that chlorine radical formed by radiolysis of chloroform may react with hydrogen atom from paraffin, thereby increasing the amount of hydrogen chloride. Presence of oxygen increased G value of the chloroform solution from 7.6 to 8.4, but did little that of the solution containing paraffin. (author)

  5. Knowledge of Chemical Indicators of Eggs from Hens Reared in Conventional and Free Range System

    Directory of Open Access Journals (Sweden)

    Lucia Iuliana Cotfas

    2014-11-01

    Full Text Available Introduction Many consumers prefer nowadays eggs from alternative production systems because of their concerns about its own food safety and welfare of laying hens (Anderson. K. E., 2009. According to the regulations, a free range egg is obtained in poultry farms were laying hens have access to outdoor paddock, where they can show all the instincts of physiological and ethological (Usturoi M.G., 2004. Aims: The aim of this research was the correct information on the quality of these products and comparative study of chemical characteristics of eggs obtain from different production systems (conventional and free range. Materials and Methods: Chemical indicators’ determination was made through specific methods, in according with actual standards and consists in establishing of water, proteins, fats, ash and non-nitrogenous extractive substances contents. The biological material was represented by 90 eggs produced by Lohmann Brown laying hens aged 33 weeks: 45 gathered from birds exploited in free range system and 45 from birds reared in cages agreed by EU. Results: Egg obtained from free range system have a slightly higher content of protein (10.35±0.12 % vs. 9.97±0.03 % compared with conventional system, from albumen and from yolk (17.46±0.00 % vs. 17.19±0.01 %, this fact was happened because of aport of green grass from the outside paddock (Morris T.R., 2004. Comparative with conventional system, eggs from free range system have a higher content of lipids of yolk with 2.23%.Chemical analysis of melange from studied eggs showed a higher rate of dry matter at free range eggs (23.374% vs. 22.969%, but also for proteins (12.952% vs. 12.520% and lipids (7.676% vs. 7.398%. Conclusions: The increase in freedom of laying hens (free range caused a qualitative improvement of dry components of both the egg components (yolk and albumen but also the quantitative one, and eggs obtained has a high nutritional value  

  6. Strategies to assess systemic exposure of chemicals in subchronic/chronic diet and drinking water studies

    International Nuclear Information System (INIS)

    Saghir, Shakil A.; Mendrala, Alan L.; Bartels, Michael J.; Day, Sue J.; Hansen, Steve C.; Sushynski, Jacob M.; Bus, James S.

    2006-01-01

    Strategies were developed for the estimation of systemically available daily doses of chemicals, diurnal variations in blood levels, and rough elimination rates in subchronic feeding/drinking water studies, utilizing a minimal number of blood samples. Systemic bioavailability of chemicals was determined by calculating area under the plasma concentration curve over 24 h (AUC-24 h) using complete sets of data (≥5 data points) and also three, two, and one selected time points. The best predictions of AUC-24 h were made when three time points were used, corresponding to C max , a mid-morning sample, and C min . These values were found to be 103 ± 10% of the original AUC-24 h, with 13 out of 17 values ranging between 96 and 105% of the original. Calculation of AUC-24 h from two samples (C max and C min ) or one mid-morning sample afforded slightly larger variations in the calculated AUC-24 h (69-136% of the actual). Following drinking water exposure, prediction of AUC-24 h using 3 time points (C max , mid-morning, and C min ) was very close to actual values (80-100%) among mice, while values for rats were only 63% of the original due to less frequent drinking behavior of rats during the light cycle. Collection and analysis of 1-3 blood samples per dose may provide insight into dose-proportional or non-dose-proportional differences in systemic bioavailability, pointing towards saturation of absorption or elimination or some other phenomenon warranting further investigation. In addition, collection of the terminal blood samples from rats, which is usually conducted after 18 h of fasting, will be helpful in rough estimation of blood/plasma half-life of the compound. The amount of chemical(s) and/or metabolite(s) in excreta and their possible use as biomarkers in predicting the daily systemic exposure levels are also discussed. Determining these parameters in the early stages of testing will provide critical information to improve the appropriate design of other longer

  7. Experimental and theoretical evidence for fluctuation driven activations in an excitable chemical system

    Science.gov (United States)

    Hastings, Harold; Sobel, Sabrina; Field, Richard; Minchenberg, Scott; Spinelli, Nicole; Zauderer, Keith

    2011-03-01

    An excitable medium is a system in which small perturbations die out, but sufficiently large perturbations generate large ``excitations.'' Biological examples include neurons and the heart; the latter supports waves of excitation normally generated by the sinus node, but occasionally generated by other mechanisms. The ferroin-catalyzed Belousov-Zhabotinsky reaction is the prototype chemical excitable medium. We present experimental and theoretical evidence for that random fluctuations can generate excitations in the Belousov-Zhabothinsky reaction. Although the heart is significantly different, there are some scaling analogies. This material is based upon work supported by the Department of Energy under Award Number DE-FG02-08ER64623.

  8. Physico-chemical and hydraulic mechanisms of radionuclide mobilization in aquatic systems

    International Nuclear Information System (INIS)

    Konoplev, A.V.; Bulgakov, A.A.; Comans, R.N.J.; Hilton, J.; Smith, J.; Madruga, M.J.; Voitsekhovich, O.V.; Sansone, U.; Kudelsky, A.V.

    1996-01-01

    This paper presents main results of joint studies carried out in frame of EC-coordinated ECP-3 Project 'Modelling and study of the mechanisms of the transfer of radioactive material from the terrestrial ecosystem to and in water bodies around Chernobyl' in part of geochemical pathways. Physico-chemical models of specific migration processes are developed and recommended for application as sub models for inclusion in the decision support system (JSP-1). Main parameters, determining the behaviour of radionuclides in aquatic ecosystems are identified and methods for their estimation in |emergency situations are proposed

  9. Magnetic field effects on the chemical equilibrium in LaCo5-H system

    International Nuclear Information System (INIS)

    Yamamoto, Isao; Yamaguchi, Masuhiro; Deguchi, Noritaka; Miura, Shigeto.

    1997-01-01

    Magnetic field effects on the chemical equilibrium were investigated for a ferromagnetic metal hydride-hydrogen system. The equilibrium hydrogen pressure, measured in the β+γ region for LaCo 5 H x , changed significantly with the applied magnetic fields up to 15 T in the temperature range between 293 and 343 K. Namely, the measured hydrogen pressure increased with increasing magnetic fields. However, such a change in the equilibrium pressure became less remarkable with increasing temperature. These experimental results agreed with the thermodynamic calculation based on magnetic data. (author)

  10. TPR system: a powerful technique to monitor carbon nanotube formation during chemical vapour deposition

    International Nuclear Information System (INIS)

    Tristao, Juliana Cristina; Moura, Flavia Cristina Camilo; Lago, Rochel Montero; Sapag, Karim

    2010-01-01

    In this work, a TPR (Temperature Programmed Reduction) system is used as a powerful tool to monitor carbon nanotubes production during CVD (Chemical Vapour Deposition), The experiments were carried out using catalyst precursors based on Fe-Mo supported on Al 2 O 3 and methane as carbon source. As methane reacts on the Fe metal surface, carbon is deposited and H2 is produced. TPR is very sensitive to the presence of H2 and affords information on the temperature where catalyst is active to form different forms of carbon, the reaction kinetics, the catalyst deactivation and carbon yields. (author)

  11. Chemical track effects in condensed systems and implications for biological damage

    International Nuclear Information System (INIS)

    Magee, J.L.; Chatterjee, A.

    1979-01-01

    The spatial distributions of reactive intermediates, chemical reactions, and products are involved in the chemical interests in particle tracks. Biological systems are considred to be concentrated aqueous solutions, and the reactions of biological molecules can occur at any time including prethermal period. Heavy particles lose approximately equal amounts of energy by two mechanisms which lead to the different patterns of energy deposit; that is, the resonant process with individual losses in the range of 0 - 100 eV, and the knock-on process which creates recoil electrons in spectra from 100 eV to the maximum. The survival of cultured cells after irradiation depends on certain parameters of the radiation. Such theories seem to imply that the deposit of energy in the proper location of a cell can guarantee its death, that is, there is all-or-none effect, dependent solely on the absorption of energy. The initial dissociation of water is assumed to require 17 eV. A weakness regarding heavy particle tracks is the lack of knowledge on the phenomena that occur at extremely high energy deposit, approximately 1000 eV per A. Significantly high temperature must be generated, accompanied by shock waves and bubble formation. In a radical diffusion model for cell survival, it is assumed that a particular type of the lesion of DNA may be formed by a purely chemical process which can provide a certain lethality. The chemical processes following the energy deposit by high energy particles are known at least in approximate way, including most of the phenomena in space and time. (Yamashita, S.)

  12. Development of a purification system at Dhruva to treat oil contaminated and chemically impure heavy water

    International Nuclear Information System (INIS)

    Suttraway, S.K.; Mishra, V.; Bitla, S.V.; Ghosh, S.K.

    2006-01-01

    Dhruva, a 100 MW (thermal) Research reactor uses Heavy Water as moderator, reflector and coolant. Normally during plant operation, the Heavy water from the system gets removed during operational and maintenance activities and this collected heavy water gets degraded and contaminated in the process. The degraded heavy water meeting the chemical specification requirement of the up gradation plant is sent for up gradation. Part of the Heavy water collected is contaminated with various organic and inorganic impurities and therefore cannot be sent for IP up gradation as it does not meet the chemical specification of the up gradation plant. This contaminated Heavy water was being stored in SS drums. Over the years of Reactor operation reasonable amount of contaminated Heavy water got collected in the plant. This Heavy water collected from leakages, during routine maintenance, operational activities and fuelling operation had tritium activity and variety of contamination including oil, chlorides, turbidity due to which the specific conductivity was very high. It was decided to purify this Heavy water in house to bring it up to up gradation plant chemical specification requirement. There were number of challenges in formulating a scheme to purify this Heavy water. The scheme needed to be simple and compact in design which could be set up in the plant itself. It should not pose radiological hazards due to radioactive Heavy water during its purification and handling. The contaminated Heavy water collected in drums had varying chemistry and IP. The purification plant should be able to do batch processing so that the different IP and chemical quality of Heavy water stored in different drums are not mixed during purification. It should be capable of removing the oil, chlorides, turbidity and decrease the conductivity to acceptable limits of the Up gradation plant. A purification plant was developed and commissioned after detail laboratory studies and trials. This paper explains

  13. Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries: Main Report

    Energy Technology Data Exchange (ETDEWEB)

    2002-10-01

    This report assesses steam generation and use in the pulp and paper, chemical, and petroleum refining industries, and estimates the potential for energy savings from implementation of steam system performance and efficiency improvements.

  14. Steam system opportunity assessment for the pulp and paper, chemical manufacturing, and petroleum refining industries: Main report

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    2002-10-01

    This report assesses steam generation and use in the pulp and paper, chemical, and petroleum refining industries, and estimates the potential for energy savings from implementation of steam system performance and efficiency improvements.

  15. Role of primary substrate composition and concentration on attenuation of trace organic chemicals in managed aquifer recharge systems

    KAUST Repository

    Alidina, Mazahirali; Li, Dong; Ouf, Mohamed; Drewes, Jorg

    2014-01-01

    This study was undertaken to investigate the role of primary substrate composition and concentration on the attenuation of biodegradable emerging trace organic chemicals (TOrCs) in simulated managed aquifer recharge (MAR) systems. Four sets of soil

  16. Analysis of a Stochastic Chemical System Close to a SNIPER Bifurcation of Its Mean-Field Model

    KAUST Repository

    Erban, Radek; Chapman, S. Jonathan; Kevrekidis, Ioannis G.; Vejchodský , Tomá š

    2009-01-01

    A framework for the analysis of stochastic models of chemical systems for which the deterministic mean-field description is undergoing a saddle-node infinite period (SNIPER) bifurcation is presented. Such a bifurcation occurs, for example

  17. Thermodynamic aspects of power production in thermal, chemical and electrochemical systems

    International Nuclear Information System (INIS)

    Sieniutycz, Stanisław; Poświata, Artur

    2012-01-01

    We apply optimization methods to study power generation limits for various energy converters, such as thermal, solar, chemical, and electrochemical engines. Methodological similarity is observed when analysing power limits in thermal machines and fuel cells which are electrochemical flow engines. Operative driving forces and voltage are suitable indicators of imperfect phenomena in energy converters. The results obtained generalize our previous findings for power yield limits in purely thermal systems with finite rates. While temperatures T i of participating media were only necessary variables in purely thermal systems, in the present work both temperatures and chemical potentials μ k are essential. This case is associated with engines propelled by fluxes of both energy and substance. In dynamical systems downgrading or upgrading of resources may occur. Energy flux (power) is created in the generator located between the resource fluid (‘upper’ fluid 1) and the environmental fluid (‘lower’ fluid, 2). Fluid properties, transfer mechanisms and conductance values of dissipative layers or conductors influence the rate of power production. Numerical approaches to the dynamical solutions are based on the dynamic programming or maximum principle. Here we focus especially on the latter method, which involves discrete algorithms of Pontryagin’s type. Downgrading or upgrading of resources may also occur in electrochemical systems of fuel cell type. Yet, in this paper we restrict ourselves to the steady-state fuel cells. We present a simple analysis showing that, in linear systems, only at most ¼ of power dissipated in the natural transfer process can be transformed into the noble form of mechanical power.

  18. A Novel Approach for Modeling Chemical Reaction in Generalized Fluid System Simulation Program

    Science.gov (United States)

    Sozen, Mehmet; Majumdar, Alok

    2002-01-01

    The Generalized Fluid System Simulation Program (GFSSP) is a computer code developed at NASA Marshall Space Flight Center for analyzing steady state and transient flow rates, pressures, temperatures, and concentrations in a complex flow network. The code, which performs system level simulation, can handle compressible and incompressible flows as well as phase change and mixture thermodynamics. Thermodynamic and thermophysical property programs, GASP, WASP and GASPAK provide the necessary data for fluids such as helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, water, a hydrogen, isobutane, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, several refrigerants, nitrogen trifluoride and ammonia. The program which was developed out of need for an easy to use system level simulation tool for complex flow networks, has been used for the following purposes to name a few: Space Shuttle Main Engine (SSME) High Pressure Oxidizer Turbopump Secondary Flow Circuits, Axial Thrust Balance of the Fastrac Engine Turbopump, Pressurized Propellant Feed System for the Propulsion Test Article at Stennis Space Center, X-34 Main Propulsion System, X-33 Reaction Control System and Thermal Protection System, and International Space Station Environmental Control and Life Support System design. There has been an increasing demand for implementing a combustion simulation capability into GFSSP in order to increase its system level simulation capability of a liquid rocket propulsion system starting from the propellant tanks up to the thruster nozzle for spacecraft as well as launch vehicles. The present work was undertaken for addressing this need. The chemical equilibrium equations derived from the second law of thermodynamics and the energy conservation equation derived from the first law of thermodynamics are solved simultaneously by a Newton-Raphson method. The numerical scheme was implemented as a User

  19. A combined chemical and biological assessment of industrial contamination in an estuarine system in Kerala, India.

    Science.gov (United States)

    Dsikowitzky, Larissa; Nordhaus, Inga; Sujatha, C H; Akhil, P S; Soman, Kunjupilai; Schwarzbauer, Jan

    2014-07-01

    The Cochin Backwaters in India are part of the Vembanad-Kol system, which is a protected wetland and one of the largest estuarine ecosystems in South Asia. The backwaters are a major supplier of fisheries resources and are developed as tourist destination. Periyar River discharges into the northern arm of the system and receives effluents from chemical, petrochemical and metal processing industries which release huge amounts of wastewaters after little treatment. We investigated water and sediment contamination in the industrial vicinity and at one station further away including organic and inorganic contaminants. In total 83 organic contaminants were found, e.g. well known priority pollutants such as endosulfan, hexachlorobenzene, DDT, hexachlorocyclohexane and their metabolites, which likely stem from the industrial manufacturing of organochlorine pesticides. Furthermore, several benzothiazole, dibenzylamine and dicyclohexylamine derivatives were detected, which indicated inputs from rubber producing facilities. Several of these compounds have not been reported as environmental contaminants so far. A comparison of organic contaminant and trace hazardous element concentrations in sediments with reported sediment quality guidelines revealed that adverse effects on benthic species are likely at all stations. The chemical assessment was combined with an investigation of macrobenthic diversity and community composition. Benthic organisms were completely lacking at the site with the highest trace hazardous element concentrations. Highest species numbers, diversity indices and abundances were recorded at the station with the greatest distance to the industrial area. Filter feeders were nearly completely lacking, probably leading to an impairment of the filter function in this area. This study shows that a combination of chemical and biological methods is an innovative approach to achieve a comprehensive characterization of industrial contamination, to evaluate

  20. Numerical Modeling of Lead Oxidation in Controlled Lead Bismuth Eutectic Systems: Chemical Kinetics and Hydrodynamic Effects

    International Nuclear Information System (INIS)

    Wu, Chao; Kanthi Kiran Dasika; Chen, Yitung; Moujaes, Samir

    2002-01-01

    Using liquid Lead-Bismuth Eutectic (LBE) as coolant in nuclear systems has been studied for more than 50 years. And LBE has many unique nuclear, thermo physical and chemical attributes which are attractive for practical application. But, corrosion is one of the greatest concerns in using liquid Lead-Bismuth Eutectic (LBE) as spallation target in the Accelerator-driven Transmutation of Waste (ATW) program. Los Alamos National Laboratory has designed and built the Liquid Lead-Bismuth Materials Test Loop (MTL) to study the materials behavior in a flow of molten LBE. A difference of 100 deg. C was designed between the coldest and the hottest parts at a nominal flow rate of 8.84 GPM. Liquid LBE flow was activated by a mechanical sump pump or by natural convection. In order to maintain a self-healing protective film on the surface of the stainless steel pipe, a certain concentration of oxygen has to be maintained in the liquid metal. Therefore, it is of importance to understand what the oxygen concentrations are in the LBE loop related to the corrosion effects on the metal surface, the temperature profiles, the flow rates, and diffusion rates through the metal surface. The chemical kinetics also needs to be fully understood in the corrosion processes coupled with the hydrodynamics. The numerical simulation will be developed and used to analyze the system corrosion effects with different kind of oxygen concentrations, flow rates, chemical kinetics, and geometries. The hydrodynamics modeling of using computational fluid dynamics will provide the necessary the levels of oxygen and corrosion products close to the boundary or surface. This paper presents an approach towards the above explained tasks by analyzing the reactions between the Lead and oxygen at a couple of sections in the MTL. Attempt is also made to understand the surface chemistry by choosing an example model and estimating the near wall surface concentration values for propane and oxygen. (authors)

  1. Chemical/Biological Agent Resistance Test (CBART) Test Fixture System Verification and Analytical Monitioring System Development

    Science.gov (United States)

    2011-03-15

    progress was made towards the proportional intergral derivative (PID) tuning. The CBART NRT analytical system was developed, moved, replumbed, and...efficacy, or applicability of the contents hereof. The use of trade names in this report does not constitute endorsement of any commercial product ...Office MFC mass flow controller MS mass spectrometer MSD mass selective detector NRT near real-time PID proportional intergral derivative

  2. Expanding the chemical palate of cells by combining systems biology and metabolic engineering.

    Science.gov (United States)

    Curran, Kathleen A; Alper, Hal S

    2012-07-01

    The field of Metabolic Engineering has recently undergone a transformation that has led to a rapid expansion of the chemical palate of cells. Now, it is conceivable to produce nearly any organic molecule of interest using a cellular host. Significant advances have been made in the production of biofuels, biopolymers and precursors, pharmaceuticals and nutraceuticals, and commodity and specialty chemicals. Much of this rapid expansion in the field has been, in part, due to synergies and advances in the area of systems biology. Specifically, the availability of functional genomics, metabolomics and transcriptomics data has resulted in the potential to produce a wealth of new products, both natural and non-natural, in cellular factories. The sheer amount and diversity of this data however, means that uncovering and unlocking novel chemistries and insights is a non-obvious exercise. To address this issue, a number of computational tools and experimental approaches have been developed to help expedite the design process to create new cellular factories. This review will highlight many of the systems biology enabling technologies that have reduced the design cycle for engineered hosts, highlight major advances in the expanded diversity of products that can be synthesized, and conclude with future prospects in the field of metabolic engineering. Copyright © 2012 Elsevier Inc. All rights reserved.

  3. Direct solid surface fluorescence spectroscopy of standard chemicals and humic acid in ternary system.

    Science.gov (United States)

    Mounier, S; Nicolodelli, G; Redon, R; Milori, D M B P

    2017-04-15

    The front face fluorescence spectroscopy is often used to quantify chemicals in well-known matrices as it is a rapid and powerful technique, with no sample preparation. However it was not used to investigate extracted organic matter like humic substances. This work aims to fully investigate for the first time front face fluorescence spectroscopy response of a ternary system including boric acid, tryptophan and humic substances, and two binaries system containing quinine sulfate or humic substance in boric acid. Pure chemicals, boric acid, tryptophan, quinine sulfate and humic acid were mixed together in solid pellet at different contents from 0 to 100% in mass. The measurement of excitation emission matrix of fluorescence (3D fluorescence) and laser induced fluorescence were then done in the front face mode. Fluorescence matrices were decomposed using the CP/PARAFAC tools after scattering treatments. Results show that for 3D fluorescence there is no specific component for tryptophan and quinine sulfate, and that humic substances lead to a strong extinction effect for mixture containing quinine sulfate. Laser induced fluorescence gives a very good but non-specific related response for both quinine sulfate and tryptophan. No humic substances fluorescence response was found, but extinction effect is observed as for 3D fluorescence. This effect is stronger for quinine sulfate than for tryptophan. These responses were modeled using a simple absorbance versus emission model. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Aerated Systems of the Type RH-RCl-Ethanol-Thymolsulphonphthalein Stable Low-Level Chemical Dosimeters

    Energy Technology Data Exchange (ETDEWEB)

    Dvornik, I.; Zec, U.; Anic, A.; Ranogajec, F. [Institute Ruder Boskovic, Zagreb, Yugoslavia (Croatia)

    1967-03-15

    The characteristic of dosimeters described in this paper is concerned with the very sensitive colorimetric method of dose evaluation giving a fair sensitivity with low G(HC1). In addition, the systems are thermally stable and simple to manufacture. With photocolorimetric or spectrophotometric evaluation of about 100 rad the dosimetric: error can be as low as 1 rad, or lower. The examined technique of visual colorimetric evaluation at the same dose level gives the combined error of 10-20 rad, and up to {+-} 5 or 10% at 500 rad. Owing to the practically unlimited shelf life of dosimeters and visual colorimeters, and to the very low production costs of both devices, such chemical dosimeters could be of special interest for massive use as personal gamma dosimeters for wide populations, or as dosimeters for gamma and fast neutron dosimetric topography of nuclear accidents. With tetrachloroethylene and iso-octane G(HC1) has been found constant (8.4) for temperatures of between -10 and +35 Degree-Sign C and for dose-rates of between 80 and 80 000 rad/h. The upper dose limit of colorimetric evaluation is about 2000 rad. With other components G(HC1) can be lower and the range extends to higher doses. The colorimetric properties of the systems RH-ethanol-thymolsulphonphthalein, as well as some of the most interesting features of the production procedure, are described. The radiation chemical aspects are discussed briefly. (author)

  5. The approach to risk analysis in three industries: nuclear power, space systems, and chemical process

    International Nuclear Information System (INIS)

    Garrick, B.J.

    1988-01-01

    The aerospace, nuclear power, and chemical processing industries are providing much of the incentive for the development and application of advanced risk analysis techniques to engineered systems. Risk analysis must answer three basic questions: What can go wrong? How likely is it? and What are the consequences? The result of such analyses is not only a quantitative answer to the question of 'What is the risk', but, more importantly, a framework for intelligent and visible risk management. Because of the societal importance of the subject industries and the amount of risk analysis activity involved in each, it is interesting to look for commonalities, differences, and, hopefully, a basis for some standardization. Each industry has its strengths: the solid experience base of the chemical industry, the extensive qualification and testing procedures of the space industry, and the integrative and quantitative risk and reliability methodologies developed for the nuclear power industry. In particular, most advances in data handling, systems interaction modeling, and uncertainty analysis have come from the probabilistic risk assessment work in the nuclear safety field. In the final analysis, all three industries would greatly benefit from a more deliberate technology exchange program in the rapidly evolving discipline of quantitative risk analysis. (author)

  6. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    International Nuclear Information System (INIS)

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

    2011-01-01

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  7. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Li Rong; Yang Fuquan; Sloan, James J [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON N2L 3G1 (Canada); Scholtz, M Trevor, E-mail: sloanj@connect.uwaterloo.ca [ORTECH Environmental, 2395 Speakman Drive, Mississauga, ON L5K 1B3 (Canada)

    2011-07-15

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  8. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    Science.gov (United States)

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

    2011-07-01

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  9. Identification of chemical compounds in a liquid-liquid extraction system

    International Nuclear Information System (INIS)

    Ramirez C, F de M de la.

    1980-01-01

    The objective of the present work is to identify the chemical compounds that are distributed in a liquid-liquid extraction system in which the third phase is observed; for this purpose the FeCl 3 (0.12M) - HCl (8.43M) - Diisopropilic ether - system was used, for the quantitative determination of the chemical compounds, FeCl 3 solutions labelled with 59 Fe or witH 38 Cl were used; the Karl Fischer method for the determination of the water concentration at the organic phases was used, the obtained data was used for the calculations of the H + distribution in each phase. The results are that when the distribution equilibrium is reached, the aqueous phase is a 7.5M HCl solution; the light organic phase contains 2 H[FeCl 4 ].6H 2 O and the dense organic phase contains 2 H[FeCl 4 ].6H 2 O.3HCl.12H 2 O. The differences between these compounds are due to a high concentration of water and the HCl in the organic solvent. This causes a heterogeneous physic field, and then the third phase formation. (author)

  10. The Role of Chemical Processes in the Transition to Sustainable Energy Systems

    Energy Technology Data Exchange (ETDEWEB)

    Stucki, S.; Palumbo, R.; Baltensperger, U.; Boulouchos, K.; Haas, O.; Scherer, G.G.; Siegwolf, R.; Wokaun, A

    2002-01-01

    Chemical science and engineering play a central role in improving the eco- efficiency of energy services, be it by optimizing fossil fuel utilization from the source to the sinks, be it by exploring new ways of replacing fossil fuels with renewable ones. Catalytic fuel processing is required for providing clean and easy to convert inputs from contaminated and/or high molecular weight primary resources into efficient energy conversion systems such as advanced combustion engines and fuel cells. The switch from conventional fossil fuel resources to renewables such as solar or biomass requires new approaches in chemical engineering. Efficiency vs. emissions trade-offs for improving the eco-performance of combustion engines need to be optimized with improved understanding of the complex chemistry taking place in flames. New materials for fuel cells and batteries provide a means of making these devices applicable, thereby drastically cutting down on emissions from energy systems. Chemistry is not only involved in fuel processing and conversion, but it is also important at the end of the pipe, i.e. in catalytic emission control devices, in the treatment of hazardous residues from the incineration of waste materials, and in the complex interactions of air pollutants with the biosphere. (author)

  11. From Molecules to Life: Quantifying the Complexity of Chemical and Biological Systems in the Universe.

    Science.gov (United States)

    Böttcher, Thomas

    2018-01-01

    Life is a complex phenomenon and much research has been devoted to both understanding its origins from prebiotic chemistry and discovering life beyond Earth. Yet, it has remained elusive how to quantify this complexity and how to compare chemical and biological units on one common scale. Here, a mathematical description of molecular complexity was applied allowing to quantitatively assess complexity of chemical structures. This in combination with the orthogonal measure of information complexity resulted in a two-dimensional complexity space ranging over the entire spectrum from molecules to organisms. Entities with a certain level of information complexity directly require a functionally complex mechanism for their production or replication and are hence indicative for life-like systems. In order to describe entities combining molecular and information complexity, the term biogenic unit was introduced. Exemplified biogenic unit complexities were calculated for ribozymes, protein enzymes, multimeric protein complexes, and even an entire virus particle. Complexities of prokaryotic and eukaryotic cells, as well as multicellular organisms, were estimated. Thereby distinct evolutionary stages in complexity space were identified. The here developed approach to compare the complexity of biogenic units allows for the first time to address the gradual characteristics of prebiotic and life-like systems without the need for a definition of life. This operational concept may guide our search for life in the Universe, and it may direct the investigations of prebiotic trajectories that lead towards the evolution of complexity at the origins of life.

  12. Exergy analysis of a coal/biomass co-hydrogasification based chemical looping power generation system

    International Nuclear Information System (INIS)

    Yan, Linbo; Yue, Guangxi; He, Boshu

    2015-01-01

    Power generation from co-utilization of coal and biomass is very attractive since this technology can not only save the coal resource but make sufficient utilization of biomass. In addition, with this concept, net carbon discharge per unit electric power generation can also be sharply reduced. In this work, a coal/biomass co-hydrogasification based chemical looping power generation system is presented and analyzed with the assistance of Aspen Plus. The effects of different operating conditions including the biomass mass fraction, R_b, the hydrogen recycle ratio, R_h_r, the hydrogasification pressure, P_h_g, the iron to fuel mole ratio, R_i_f, the reducer temperature, T_r_e, the oxidizer temperature, T_o_x, and the fuel utilization factor, U_f of the SOFC (solid oxide fuel cell) on the system operation results including the energy efficiency, η_e, the total energy efficiency, η_t_e, the exergy efficiency, η_e_x, the total exergy efficiency, η_t_e_x and the carbon capture rate, η_c_c, are analyzed. The energy and exergy balances of the whole system are also calculated and the corresponding Sankey diagram and Grassmann diagram are drawn. Under the benchmark condition, exergy efficiencies of different units in the system are calculated. η_t_e, η_t_e_x and η_c_c of the system are also found to be 43.6%, 41.2% and 99.1%, respectively. - Highlights: • A coal/biomass co-hydrogasification based chemical looping power generation system is setup. • Sankey and Grassmann diagrams are presented based on the energy and exergy balance calculations. • Sensitivity analysis is done to understand the system operation characteristics. • Total energy and exergy efficiencies of this system can be 43.6% and 41.2%, respectively. • About 99.1% of the carbon contained in coal and biomass can be captured in this system.

  13. HExpoChem: a systems biology resource to explore human exposure to chemicals

    DEFF Research Database (Denmark)

    Taboureau, Olivier; Jacobsen, Ulrik Plesner; Kalhauge, Christian Gram

    2013-01-01

    of computational biology approaches are needed to assess the health risks of chemical exposure. Here we present HExpoChem, a tool based on environmental chemicals and their bioactivities on human proteins with the objective of aiding the qualitative exploration of human exposure to chemicals. The chemical...

  14. Mockup testing of remote systems for zirconium fuel dissolution process at the Idaho Chemical Processing Plant

    International Nuclear Information System (INIS)

    Paige, D.M.

    1979-01-01

    A facility is being constructed at the Idaho National Engineering Laboratory for storage and dissolution of spent zirconium reactor fuels. The dissolution is carried out in chemical type equipment contained in a large shielded cell. The design provides for remote operations and maintenance as required. Equipment predicted to fail within 5 years is designed for remote maintenance. Each system was fabricated for mockup testing using readily available materials. The mockups were tested, redesigned, and retested until satisfactory remote designs were achieved. Records were made of all the work. All design changes were then incorporated into the ongoing detailed design for the actual equipment. Several of these systems are discussed and they include valve replacement, pump replacement, waste solids handling, mechanism operations and others. The mockup program has saved time and money by eliminating many future problems. In addition, the mockup program will continue through construction, cold startup, and hot operations

  15. Microbiological and chemical properties of litter from different chicken types and production systems

    International Nuclear Information System (INIS)

    Omeira, N.; Barbour, E.K.; Nehme, P.A.; Hamadeh, S.K.; Zurayk, R.; Bashour, I.

    2006-01-01

    Chicken litter is produced in large quantities from all types of poultry raising activities. It is primarily used for land application, thus it is essential to analyze its properties before it is released to the environment. The objective of this study is to compare the microbiological and chemical properties of litter generated from layer and broiler chickens reared under intensive and free-range production systems. The microbiological analysis consisted of the enumeration of total bacteria, total coliforms, Staphylococcus species, Salmonella species and Clostridium perfringens. Chicken litter from layers reared under intensive and free range systems showed lower mean total bacterial count than the litter collected from chicken broilers reared under either of the two systems (P = 0.0291). The litter from intensive layers had the lowest mean total coliform counts (P = 0.0222) while the lowest Staphylococcus species count was observed in the litter from free-range layers (P = 0.0077). The C. perfringens count was the lowest in chicken litter from intensively raised broilers and layers (P = 0.0001). The chemical properties of litter from the different chicken types and production systems were compared based on determination of pH, electrical conductivity, carbon, nitrogen, phosphorus, potassium, cadmium and zinc. Litter from free-range broilers showed the highest pH value (P = 0.0005); however, the electrical conductivity was higher in the litter from both intensive and free-range layers compared to the litter from both broiler production systems (P = 0.0117). Chicken litter from intensive systems had higher nitrogen content than litter from free-range systems (P = 0.0000). The total phosphorus was the lowest in free-range broiler litter (P = 0.0001), while the total potassium was the lowest in litter from intensively managed broilers (P = 0.0000). Zinc appeared higher in litter from layers compared to that from broilers (P = 0.0101). The cadmium content was higher

  16. Microbiological and chemical properties of litter from different chicken types and production systems

    Energy Technology Data Exchange (ETDEWEB)

    Omeira, N. [Department of Land and Water Resources, Faculty of Agricultural and Food Sciences, American University of Beirut, Beirut (Lebanon); Barbour, E.K. [Department of Animal Sciences, Faculty of Agricultural and Food Sciences, American University of Beirut, Beirut (Lebanon)]. E-mail: eb01@aub.edu.lb; Nehme, P.A. [Department of Land and Water Resources, Faculty of Agricultural and Food Sciences, American University of Beirut, Beirut (Lebanon); Hamadeh, S.K. [Department of Animal Sciences, Faculty of Agricultural and Food Sciences, American University of Beirut, Beirut (Lebanon); Zurayk, R. [Department of Land and Water Resources, Faculty of Agricultural and Food Sciences, American University of Beirut, Beirut (Lebanon); Bashour, I. [Department of Land and Water Resources, Faculty of Agricultural and Food Sciences, American University of Beirut, Beirut (Lebanon)

    2006-08-15

    Chicken litter is produced in large quantities from all types of poultry raising activities. It is primarily used for land application, thus it is essential to analyze its properties before it is released to the environment. The objective of this study is to compare the microbiological and chemical properties of litter generated from layer and broiler chickens reared under intensive and free-range production systems. The microbiological analysis consisted of the enumeration of total bacteria, total coliforms, Staphylococcus species, Salmonella species and Clostridium perfringens. Chicken litter from layers reared under intensive and free range systems showed lower mean total bacterial count than the litter collected from chicken broilers reared under either of the two systems (P = 0.0291). The litter from intensive layers had the lowest mean total coliform counts (P = 0.0222) while the lowest Staphylococcus species count was observed in the litter from free-range layers (P = 0.0077). The C. perfringens count was the lowest in chicken litter from intensively raised broilers and layers (P = 0.0001). The chemical properties of litter from the different chicken types and production systems were compared based on determination of pH, electrical conductivity, carbon, nitrogen, phosphorus, potassium, cadmium and zinc. Litter from free-range broilers showed the highest pH value (P = 0.0005); however, the electrical conductivity was higher in the litter from both intensive and free-range layers compared to the litter from both broiler production systems (P = 0.0117). Chicken litter from intensive systems had higher nitrogen content than litter from free-range systems (P = 0.0000). The total phosphorus was the lowest in free-range broiler litter (P = 0.0001), while the total potassium was the lowest in litter from intensively managed broilers (P = 0.0000). Zinc appeared higher in litter from layers compared to that from broilers (P = 0.0101). The cadmium content was higher

  17. Microbiological and chemical properties of litter from different chicken types and production systems.

    Science.gov (United States)

    Omeira, N; Barbour, E K; Nehme, P A; Hamadeh, S K; Zurayk, R; Bashour, I

    2006-08-15

    Chicken litter is produced in large quantities from all types of poultry raising activities. It is primarily used for land application, thus it is essential to analyze its properties before it is released to the environment. The objective of this study is to compare the microbiological and chemical properties of litter generated from layer and broiler chickens reared under intensive and free-range production systems. The microbiological analysis consisted of the enumeration of total bacteria, total coliforms, Staphylococcus species, Salmonella species and Clostridium perfringens. Chicken litter from layers reared under intensive and free range systems showed lower mean total bacterial count than the litter collected from chicken broilers reared under either of the two systems (P=0.0291). The litter from intensive layers had the lowest mean total coliform counts (P=0.0222) while the lowest Staphylococcus species count was observed in the litter from free-range layers (P=0.0077). The C. perfringens count was the lowest in chicken litter from intensively raised broilers and layers (P=0.0001). The chemical properties of litter from the different chicken types and production systems were compared based on determination of pH, electrical conductivity, carbon, nitrogen, phosphorus, potassium, cadmium and zinc. Litter from free-range broilers showed the highest pH value (P=0.0005); however, the electrical conductivity was higher in the litter from both intensive and free-range layers compared to the litter from both broiler production systems (P=0.0117). Chicken litter from intensive systems had higher nitrogen content than litter from free-range systems (P=0.0000). The total phosphorus was the lowest in free-range broiler litter (P=0.0001), while the total potassium was the lowest in litter from intensively managed broilers (P=0.0000). Zinc appeared higher in litter from layers compared to that from broilers (P=0.0101). The cadmium content was higher in the litter from

  18. Reproductive toxicity: Male and female reproductive systems as targets for chemical injury

    Energy Technology Data Exchange (ETDEWEB)

    Mattison, D.R.; Plowchalk, D.R.; Meadows, M.J.; Al-Juburi, A.Z.; Gandy, J.; Malek, A. (Univ. of Arkansas for Medical Sciences, Little Rock (USA))

    1990-03-01

    On the basis of current knowledge of reproductive biology and toxicology, it is apparent that chemicals affecting reproduction may elicit their effects at a number of sites in both the male and the female reproductive system. This multiplicity of targets is attributable to the dynamic nature of the reproductive system, in which the hypothalamic-pituitary-gonadal axis is controlled by precise positive and negative feedback mechanisms among its components. Interference by a xenobiotic at any level in either the male or the female reproductive system may ultimately impair hypothalamic or pituitary function. Normal gonadal processes such as spermatogenesis or oogenesis, ejaculation or ovulation, hormone production by Leydig or granulosa cells, and the structure or function of the accessory reproductive structures (e.g., epididymis, fallopian tube) also appear vulnerable to xenobiotics. The reproductive system is a complex one that requires local and circulating hormones for control. This brief review illustrates a system for characterizing the mechanism of action of reproductive toxicants, as well as for defining the sites available for disruption of reproduction. Unfortunately, at present, data addressing the actual vulnerability of reproduction are sorely lacking. However, when experiments have been conducted and combined with epidemiologic data or clinical observation, it has been possible to demonstrate impairment of reproductive processes by xenobiotics. The role of environmental exposure to xenobiotics in the increase in infertility that has been observed remains to be defined. 87 references.

  19. A conceptual chemical solidification/stabilization system to remediate radioactive raffinate sludge

    International Nuclear Information System (INIS)

    Carpenter, D.J.; Ansted, J.P.; Foldyna, J.T.

    1994-01-01

    Past operations at the U.S. Department of Energy's (DOE) Weldon Spring, Missouri, Superfund Site included the manufacture of nitroaromatic-based munitions and the production of uranium and thorium metal from ore concentrates. These operations generated a large quantity of diverse contaminated waste media including raffinate sludge, soil, sediment, and building debris. These various waste media are contaminated with varying amounts of radionuclides nitroaromatics, metals, metalloids, non-metals, polychlorinated biphenyls (PCBs) and asbestos. The volumes and diversity of contaminants and waste media pose significant challenges in identifying applicable remedial technologies, particularly for the excavation and treatment of the water-rich raffinate sludge. This paper presents the results of comprehensive efforts to develop a conceptual chemical solidification/stabilization (CSS) system to treat a variety of waste media. The emphasis of this paper is the treatment of a water-rich refractory raffinate sludge and site contaminated soils both radioactive and nonradioactive. The conceptual system design includes raffinate sludge excavation, dewatering, and CSS processing (reagent selection and formulation, reagent and waste storage and metering, and product mixing). Many innovations were incorporated into the design, producing a system that can process the various waste types. Additionally, the radioactive and hazardous constituents are sufficiently immobilized to allow the secured disposal in a waste cell of the treated product. The conceptual CSS system can also produce a variety of treated product types, ranging from a monolithic form to a compactible soil-like medium. The advantages of this system flexibility are also presented

  20. Performance and cost of energy transport and storage systems for dish applications using reversible chemical reactions

    Science.gov (United States)

    Schredder, J. M.; Fujita, T.

    1984-01-01

    The use of reversible chemical reactions for energy transport and storage for parabolic dish networks is considered. Performance and cost characteristics are estimated for systems using three reactions (sulfur-trioxide decomposition, steam reforming of methane, and carbon-dioxide reforming of methane). Systems are considered with and without storage, and in several energy-delivery configurations that give different profiles of energy delivered versus temperature. Cost estimates are derived assuming the use of metal components and of advanced ceramics. (The latter reduces the costs by three- to five-fold). The process that led to the selection of the three reactions is described, and the effects of varying temperatures, pressures, and heat exchanger sizes are addressed. A state-of-the-art survey was performed as part of this study. As a result of this survey, it appears that formidable technical risks exist for any attempt to implement the systems analyzed in this study, especially in the area of reactor design and performance. The behavior of all components and complete systems under thermal energy transients is very poorly understood. This study indicates that thermochemical storage systems that store reactants as liquids have efficiencies below 60%, which is in agreement with the findings of earlier investigators.

  1. Chemical buffering in natural and engineered barrier systems: Thermodynamic constraints and performance assessment consequences

    International Nuclear Information System (INIS)

    Arthur, R.C.; Wei Zhou

    2000-12-01

    Thermodynamic and kinetic constraints on the chemical buffering properties of natural and engineered-barrier systems are derived in this study from theoretical descriptions, incorporated in the reaction-path model, of reversible and irreversible mass transfer in multicomponent, multiphase systems. The buffering properties of such systems are conditional properties because they refer to a specific aqueous species in a system that is open with respect to a specific reactant. The solution to a mathematical statement of this concept requires evaluation of the dependence of the activity of the buffered species on incremental changes in the overall reaction-progress variable. This dependence can be represented by a truncated Taylor's series expansion, where the values of associated derivatives are calculated using finite-difference techniques and mass-balance, charge-balance and mass-action constraints. Kinetic constraints on buffering behavior can also be described if the relation between reactant flux and reaction rate is well defined. This relation is explicit for the important case of advective groundwater flow and water-rock interaction. We apply the theoretical basis of the chemical buffering concept to processes that could affect the performance of a deep geologic repository for nuclear waste. Specifically, we focus on the likelihood that an inverse relation must exist between the buffer intensity and the migration velocity of reaction fronts in systems involving advective or diffusive mass transport. A quantitative understanding of this relation would provide the basis for evaluating the potential role of chemical buffering in achieving the isolation and retardation functions, of the EBS and geosphere in a KBS-3 repository. Our preliminary evaluation of this role considers the effects of chemical buffering on the propagation velocity of a pH front in both the near- and far field. We use a geochemical modeling technique compatible with the reaction-path model to

  2. Chemical buffering in natural and engineered barrier systems: Thermodynamic constraints and performance assessment consequences

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, R.C.; Wei Zhou [Monitor Scientific, LLC, Denver, CO (United States)

    2000-12-01

    Thermodynamic and kinetic constraints on the chemical buffering properties of natural and engineered-barrier systems are derived in this study from theoretical descriptions, incorporated in the reaction-path model, of reversible and irreversible mass transfer in multicomponent, multiphase systems. The buffering properties of such systems are conditional properties because they refer to a specific aqueous species in a system that is open with respect to a specific reactant. The solution to a mathematical statement of this concept requires evaluation of the dependence of the activity of the buffered species on incremental changes in the overall reaction-progress variable. This dependence can be represented by a truncated Taylor's series expansion, where the values of associated derivatives are calculated using finite-difference techniques and mass-balance, charge-balance and mass-action constraints. Kinetic constraints on buffering behavior can also be described if the relation between reactant flux and reaction rate is well defined. This relation is explicit for the important case of advective groundwater flow and water-rock interaction. We apply the theoretical basis of the chemical buffering concept to processes that could affect the performance of a deep geologic repository for nuclear waste. Specifically, we focus on the likelihood that an inverse relation must exist between the buffer intensity and the migration velocity of reaction fronts in systems involving advective or diffusive mass transport. A quantitative understanding of this relation would provide the basis for evaluating the potential role of chemical buffering in achieving the isolation and retardation functions, of the EBS and geosphere in a KBS-3 repository. Our preliminary evaluation of this role considers the effects of chemical buffering on the propagation velocity of a pH front in both the near- and far field. We use a geochemical modeling technique compatible with the reaction-path model

  3. OPERATIONAL EXPERIENCE: UPGRADED MPC AND A SYSTEMS FOR THE RADIOCHEMICAL PLANT OF THE SIBERIAN CHEMICAL COMBINE

    International Nuclear Information System (INIS)

    RODRIGUEZ, C.; GOLOSKOKOV, I.; FISHBONE, L.; GOODEY, K.; LOOMIS, M.; CRAIN, B. JR.; LARSEN, R.

    2003-01-01

    The success of reducing the risk of nuclear proliferation through physical protection and material control/accounting systems depends upon the development of an effective design that includes consideration of the objectives of the systems and the resources available to implement the design. Included among the objectives of the design are facility characterization, definition of threat, and identification of targets. When considering resources, the designer must consider funds available, rapid low-cost elements, technology elements, human resources, and the availability of resources to sustain operation of the end system. The Siberian Chemical Combine (SCC) is a multi-function nuclear facility located in the Tomsk region of Siberia, Russia. Beginning in 1996, SCC joined with the United States Department of Energy (US/DOE) Material Protection, Control, and Accounting (MPC and A) Program to develop and implement MPC and A upgrades for the Radiochemical, Chemical Metallurgical, Conversion, Uranium Enrichment, and Reactor Plants of the SCC. At the Radiochemical Plant the MPC and A design and implementation process has been largely completed for the Plutonium Storage Facility and related areas of the Radiochemical Plant. Design and implementation of upgrades for the Radiochemical Plant include rapid physical protection upgrades such as bricking up of doors and windows, and installation of security-hardened doors. Rapid material control and accounting upgrades include installation of modern balances and bar code equipment. Comprehensive MPC and A upgrades include the installation of access controls to sensitive areas of the Plant, alarm communication and display (AC and D) systems to detect and annunciate alarm conditions, closed circuit (CCTV) systems to assess alarm conditions, central and secondary alarm station upgrades that enable security forces to assess and respond to alarm conditions, material control and accounting upgrades that include upgraded physical

  4. Chemical and environmental isotope study of the basaltic aquifer systems of Yarmouk Basin (Syria)

    International Nuclear Information System (INIS)

    Kattan, Z.

    1994-08-01

    The water in the fissured basalt aquifer system, the Upper Jurassic aquifer of the Yarmouk Basin and the atmospheric precipitation have been investigated using chemical and environmental isotope techniques. The groundwaters flowing through the different aquifers are differentiated by their chemical ratios and their isotopic compositions. The evolution of chemical facies of groundwater from the recharge area towards the basin outlet is characterized by increasing of sodium and magnesium contents as a result of silicate leaching. The stable isotope compositions of precipitation and mountainous spring waters match the Mediterranean Meteoric Water Line, while the groundwaters from the central zone and from the major springs of the Yarmouk Basin are mixtures of freshwater, which is isotopically depleted and salty groundwater of Laja plateau area. The interpretations of tritium and radiocarbon ( 14 C) data indicate that the recharge zones of the groundwater in the Yarmouk Basin occur on the high-land of more than 1000 m of altitude. The residence time of the mountainous springs is short (of about 40 years or less). However, water ages corrected by Vogel's concept and Gonfiantini's Model show, in general, a range from 1000 to 11000 years for the central zone groundwater. The groundwater moves from the Mt. Hermon and Mt. Arab towards the central zone and from the north-east (i.e. the Laja plateau) towards south-west (i.e. the major springs). The radiometric flow velocities range from 20 to 60 m/year within the central zone, while the flow velocities from both sides of Mt. Hermon and Mt. Arab are lower (1-7 m/year). (author). 43 refs., 37 figs., 6 tabs

  5. Chemical variation in hydrothermal minerals of the Los Humeros geothermal system, Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Serrano, R.G. [Universidad Nacional Autonoma de Mexico, Mexico, D.F. (Mexico). Insituto de Geofisica

    2002-10-01

    The Los Humeros geothermal system is composed of more than 2200 m of Quaternary altered volcanic rocks and an underlying Cretaceous sedimentary sequence. The low salinity of the fluids discharged at present (Na{sup +} and Cl{sup -} concentrations <500 ppm), and the excess steam, indicate that the reservoir contains a mixture of steam and dilute groundwater. Water-rock equilibrium is not attained. Hydrothermal minerals are present in veinlets, vugs, and replacing primary minerals. Three mineral zones are recognized: 1) a shallow argillic zone (<400 m depth), 2) a propylitic zone (ranging between 500 and 1800 m) and 3) a skarn zone (>1800 m). Petrographic examination of cuttings from five wells and temperature data indicate at least two stages of hydrothermal activity. Temperature is the main factor that affects the chemical composition of chlorite, epidote and biotite. Fe{sup 2+} and Al{sup IV} increase in chlorite with temperature [from 1.4 formula position unit (fpu) to 2.8, and from 0.7 to 2.4 fpu, respectively]. The pistacite content of epidote varies from 18 to 33 mol% in high-temperature regions (>270 {sup o}C) and from 13 to 26 mol% in low-temperature regions (<250 {sup 0}C). Biotite displays a slight increase in Al{sup IV} contents (1.55-2.8) and octahedral occupancy (5.93-6.0 fpu) with temperature. Whole rock composition and variations in oxygen fugacity condition are factors that also affect the concentrations of Fe, Al and Mg in the octahedral sites of chlorite, epidote, biotite and amphiboles. Chemical variations observed in alteration minerals at different depths in the Colapso Central-Xalapazco region could be used as indicator of relict physico-chemical conditions in the reservoir, before the present economic exploitation. (author)

  6. Chemical and physical soil attributes in integrated crop-livestock system under no-tillage

    Directory of Open Access Journals (Sweden)

    Hernani Alves da Silva

    Full Text Available Although integrated crop-livestock system (ICLS under no-tillage (NT is an attractive practice for intensify agricultural production, little regional information is available on the effects of animal grazing and trampling, particularly dairy heifers, on the soil chemical and physical attributes. The objective of this study was to evaluate the effects of animal grazing on the chemical and physical attributes of the soil after 21 months of ICLS under NT in a succession of annual winter pastures (2008, soybeans (2008/2009, annual winter pastures (2009, and maize (2009/10. The experiment was performed in the municipality of Castro (PR in a dystrophic Humic Rhodic Hapludox with a clay texture. The treatments included a combination of two pasture (annual ryegrass monoculture and multicropping - annual ryegrass, black oat, white clover and red clover with animal grazing during the fall-winter period with two animal weight categories (light and heavy, in a completely randomized block experimental design with 12 replications. After the maize harvest (21 months after beginning, soil samples were collected at 0-10 and 10-20 cm layers to measure soil chemical and physical attributes. The different combinations of pasture and animal weight did not alter the total organic carbon and nitrogen in the soil, but they influence the attributes of soil acidity and exchangeable cations. The monoculture pasture of ryegrass showed greater soil acidification process compared to the multicropping pasture. When using heavier animals, the multicropping pasture showed lesser increase in soil bulk density and greater macroporosity.

  7. A higher-order numerical framework for stochastic simulation of chemical reaction systems.

    KAUST Repository

    Székely, Tamás

    2012-07-15

    BACKGROUND: In this paper, we present a framework for improving the accuracy of fixed-step methods for Monte Carlo simulation of discrete stochastic chemical kinetics. Stochasticity is ubiquitous in many areas of cell biology, for example in gene regulation, biochemical cascades and cell-cell interaction. However most discrete stochastic simulation techniques are slow. We apply Richardson extrapolation to the moments of three fixed-step methods, the Euler, midpoint and θ-trapezoidal τ-leap methods, to demonstrate the power of stochastic extrapolation. The extrapolation framework can increase the order of convergence of any fixed-step discrete stochastic solver and is very easy to implement; the only condition for its use is knowledge of the appropriate terms of the global error expansion of the solver in terms of its stepsize. In practical terms, a higher-order method with a larger stepsize can achieve the same level of accuracy as a lower-order method with a smaller one, potentially reducing the computational time of the system. RESULTS: By obtaining a global error expansion for a general weak first-order method, we prove that extrapolation can increase the weak order of convergence for the moments of the Euler and the midpoint τ-leap methods, from one to two. This is supported by numerical simulations of several chemical systems of biological importance using the Euler, midpoint and θ-trapezoidal τ-leap methods. In almost all cases, extrapolation results in an improvement of accuracy. As in the case of ordinary and stochastic differential equations, extrapolation can be repeated to obtain even higher-order approximations. CONCLUSIONS: Extrapolation is a general framework for increasing the order of accuracy of any fixed-step stochastic solver. This enables the simulation of complicated systems in less time, allowing for more realistic biochemical problems to be solved.

  8. Development of a SISAK extraction system for chemical studies of element 108, hassium

    Energy Technology Data Exchange (ETDEWEB)

    Samadani, F.; Alstad, J.; Bjoernstad, T.; Stavsetra, L.; Omtvedt, J.P. [Oslo Univ. (Germany). Dept. of Chemistry

    2010-07-01

    A liquid-liquid extraction system suitable for studies of chemical properties of Hs (element 108), in the form of HsO{sub 4}, was developed using {gamma}-emitting isotopes of its homologue Os. The system is targeted for the fast on-line extraction system SISAK, which operates in a continuous manner and is suitable for liquid-phase studies of transactinide elements. The distribution of OsO{sub 4} between various dilute NaOH solutions and toluene was studied. Both batch and SISAK on-line experiments were performed to develop an appropriate system. From analysis of the extraction curves equilibrium constants for the formation of the presumed complexes, Na[OsO{sub 4}(OH)] and Na{sub 2}[OsO{sub 4}(OH){sub 2}], were obtained: K{sub 1} = (1 {+-} 0.5) x 10{sup 4} and K{sub 2} = 12 {+-} 8, respectively. The SISAK system includes a liquid-scintillation detection system for {alpha} measurements. Due to quenching effects it is not possible to perform direct measurement of the aqueous phase {alpha}'s. Therefore, a two-stage extraction method that provides an indirect measurement of the activity in the aqueous phase was developed as part of the proposed system for Hs: Acidification of the raffinate from the first stage result in recovery of OsO{sub 4}, which is highly extractable into toluene. The yield of extraction in the second step, from 0.01 M NaOH solution after acidification with H{sub 2}SO{sub 4} solution, was (90 {+-} 3)%. (orig.)

  9. Development of a SISAK extraction system for chemical studies of element 108, hassium

    International Nuclear Information System (INIS)

    Samadani, F.; Alstad, J.; Bjoernstad, T.; Stavsetra, L.; Omtvedt, J.P.

    2010-01-01

    A liquid-liquid extraction system suitable for studies of chemical properties of Hs (element 108), in the form of HsO 4 , was developed using γ-emitting isotopes of its homologue Os. The system is targeted for the fast on-line extraction system SISAK, which operates in a continuous manner and is suitable for liquid-phase studies of transactinide elements. The distribution of OsO 4 between various dilute NaOH solutions and toluene was studied. Both batch and SISAK on-line experiments were performed to develop an appropriate system. From analysis of the extraction curves equilibrium constants for the formation of the presumed complexes, Na[OsO 4 (OH)] and Na 2 [OsO 4 (OH) 2 ], were obtained: K 1 = (1 ± 0.5) x 10 4 and K 2 = 12 ± 8, respectively. The SISAK system includes a liquid-scintillation detection system for α measurements. Due to quenching effects it is not possible to perform direct measurement of the aqueous phase α's. Therefore, a two-stage extraction method that provides an indirect measurement of the activity in the aqueous phase was developed as part of the proposed system for Hs: Acidification of the raffinate from the first stage result in recovery of OsO 4 , which is highly extractable into toluene. The yield of extraction in the second step, from 0.01 M NaOH solution after acidification with H 2 SO 4 solution, was (90 ± 3)%. (orig.)

  10. Evaluation of maillard reaction variables and their effect on heterocyclic amine formation in chemical model systems.

    Science.gov (United States)

    Dennis, Cara; Karim, Faris; Smith, J Scott

    2015-02-01

    Heterocyclic amines (HCAs), highly mutagenic and potentially carcinogenic by-products, form during Maillard browning reactions, specifically in muscle-rich foods. Chemical model systems allow examination of in vitro formation of HCAs while eliminating complex matrices of meat. Limited research has evaluated the effects of Maillard reaction parameters on HCA formation. Therefore, 4 essential Maillard variables (precursors molar concentrations, water amount, sugar type, and sugar amounts) were evaluated to optimize a model system for the study of 4 HCAs: 2-amino-3-methylimidazo-[4,5-f]quinoline, 2-amino-3-methylimidazo[4,5-f]quinoxaline, 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline, and 2-amino-3,4,8-trimethyl-imidazo[4,5-f]quinoxaline. Model systems were dissolved in diethylene glycol, heated at 175 °C for 40 min, and separated using reversed-phase liquid chromatography. To define the model system, precursor amounts (threonine and creatinine) were adjusted in molar increments (0.2/0.2, 0.4/0.4, 0.6/0.6, and 0.8/0.8 mmol) and water amounts by percentage (0%, 5%, 10%, and 15%). Sugars (lactose, glucose, galactose, and fructose) were evaluated in several molar amounts proportional to threonine and creatinine (quarter, half, equi, and double). The precursor levels and amounts of sugar were significantly different (P < 0.05) in regards to total HCA formation, with 0.6/0.6/1.2 mmol producing higher levels. Water concentration and sugar type also had a significant effect (P < 0.05), with 5% water and lactose producing higher total HCA amounts. A model system containing threonine (0.6 mmol), creatinine (0.6 mmol), and glucose (1.2 mmol), with 15% water was determined to be the optimal model system with glucose and 15% water being a better representation of meat systems. © 2015 Institute of Food Technologists®

  11. Endocrine Disrupting Chemicals (EDCs)

    Science.gov (United States)

    ... Center Pacientes y Cuidadores Hormones and Health The Endocrine System Hormones Endocrine Disrupting Chemicals (EDCs) Steroid and Hormone ... Hormones and Health › Endocrine Disrupting Chemicals (EDCs) The Endocrine System Hormones Endocrine Disrupting Chemicals (EDCs) EDCs Myth vs. ...

  12. Effects of chemical alteration on fracture mechanical properties in hydrothermal systems

    Science.gov (United States)

    Callahan, O. A.; Eichhubl, P.; Olson, J. E.

    2015-12-01

    Fault and fracture networks often control the distribution of fluids and heat in hydrothermal and epithermal systems, and in related geothermal and mineral resources. Additional chemical influences on conduit evolution are well documented, with dissolution and precipitation of mineral species potentially changing the permeability of fault-facture networks. Less well understood are the impacts of chemical alteration on the mechanical properties governing fracture growth and fracture network geometry. We use double-torsion (DT) load relaxation tests under ambient air conditions to measure the mode-I fracture toughness (KIC) and subcritical fracture growth index (SCI) of variably altered rock samples obtained from outcrop in Dixie Valley, NV. Samples from southern Dixie Valley include 1) weakly altered granite, characterized by minor sericite in plagioclase, albitization and vacuolization of feldspars, and incomplete replacement of biotite with chlorite, and 2) granite from an area of locally intense propylitic alteration with chlorite-calcite-hematite-epidote assemblages. We also evaluated samples of completely silicified gabbro obtained from the Dixie Comstock epithermal gold deposit. In the weakly altered granite KIC and SCI are 1.3 ±0.2 MPam1/2 (n=8) and 59 ±25 (n=29), respectively. In the propylitic assemblage KIC is reduced to 0.6 ±0.1 MPam1/2 (n=11), and the SCI increased to 75 ±36 (n = 33). In both cases, the altered materials have lower fracture toughness and higher SCI than is reported for common geomechanical standards such as Westerly Granite (KIC ~1.7 MPam1/2; SCI ~48). Preliminary analysis of the silicified gabbro shows a significant increase in fracture toughness, 3.6 ±0.4 MPam1/2 (n=2), and SCI, 102 ±45 (n=19), compared to published values for gabbro (2.9 MPam1/2 and SCI = 32). These results suggest that mineralogical and textural changes associated with different alteration assemblages may result in spatially variable rates of fracture

  13. Biofiltration of airborne VOCs with green wall systems-Microbial and chemical dynamics.

    Science.gov (United States)

    Mikkonen, A; Li, T; Vesala, M; Saarenheimo, J; Ahonen, V; Kärenlampi, S; Blande, J D; Tiirola, M; Tervahauta, A

    2018-05-06

    Botanical air filtration is a promising technology for reducing indoor air contaminants, but the underlying mechanisms need better understanding. Here, we made a set of chamber fumigation experiments of up to 16 weeks of duration, to study the filtration efficiencies for seven volatile organic compounds (VOCs; decane, toluene, 2-ethylhexanol, α-pinene, octane, benzene, and xylene) and to monitor microbial dynamics in simulated green wall systems. Biofiltration functioned on sub-ppm VOC levels without concentration-dependence. Airflow through the growth medium was needed for efficient removal of chemically diverse VOCs, and the use of optimized commercial growth medium further improved the efficiency compared with soil and Leca granules. Experimental green wall simulations using these components were immediately effective, indicating that initial VOC removal was largely abiotic. Golden pothos plants had a small additional positive impact on VOC filtration and bacterial diversity in the green wall system. Proteobacteria dominated the microbiota of rhizosphere and irrigation water. Airborne VOCs shaped the microbial communities, enriching potential VOC-utilizing bacteria (especially Nevskiaceae and Patulibacteraceae) in the irrigation water, where much of the VOC degradation capacity of the biofiltration systems resided. These results clearly show the benefits of active air circulation and optimized growth media in modern green wall systems. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  14. Nanosericite as an Innovative Microparticle in Dual-Chemical Paper Retention Systems

    Directory of Open Access Journals (Sweden)

    Yuan-Shing Perng

    2013-01-01

    Full Text Available Dual-chemical retention systems based on 2 cationic polyacrylamides, a colloidal silica, and a globular anionic polymer microparticles were investigated and an exfoliated nanoparticle indigenous mica mineral, sericite, was examined for its efficacy in substituting commercial microparticle preparations. The results indicated that nanosericite generated FPR between 76.9 and 80.9% for fines and chemicals. Its ash retention values, however, were higher and tended to increase with doses of polymer, nanosericite, or Sc to between 16 and 24%. As for paper physical properties, nanosericite was not amenable to substitute the c-PAMb/polymer with only handsheet stiffness superior to the combination. Nanosericite, however, showed good substitution capacity than the c-PAMa-colloidal silica combination. Regardless of the c-PAMa doses, all examined handsheet physical properties incorporating nanosericite were superior to colloidal silica. The optimal performance was observed with c-PAMa dose of 200 ppm. Optical properties of the handsheets indicated that with nanosericite substitution, brightness values were comparable to the polymer group, while its substitution capacity for colloidal silica decreased with increasing c-PAMb dose. Only at c-PAMa dose of 300 ppm, it appeared to have good substitution for colloidal silica. Substituting nanosericite for colloidal silica appeared to reduce the c-PAMa charge and increased the overall cost effectiveness.

  15. National demonstration of full reactor coolant system (RCS) chemical decontamination at Indian Point 2

    Energy Technology Data Exchange (ETDEWEB)

    Trovato, S.A.; Parry, J.O. [Consolidated Edison Co., New York, NY (United States)

    1995-03-01

    Key to the safe and efficient operation of the nation`s civilian nuclear power plants is the performance of maintenance activities within regulations and guidelines for personnel radiation exposure. However, maintenance activities, often performed in areas of relatively high radiation fields, will increase as the nation`s plant age. With the Nuclear Regulatory Commission (NRC) lowering the allowable radiation exposure to plant workers in 1994 and considering further reductions and regulations in the future, it is imperative that new techniques be developed and applied to reduce personnel exposure. Full primary system chemical decontamination technology offers the potential to be single most effective method of maintaining workers exposure {open_quotes}as low as reasonably achievable{close_quotes} (ALARA) while greatly reducing plant operation and maintenance (O&M) costs. A three-phase program underway since 1987, has as its goal to demonstrate that full RCS decontamination is a visible technology to reduce general plant radiation levels without threatening the long term reliability and operability of a plant. This paper discusses research leading to and plans for a National Demonstration of Full RCS Chemical Decontamination at Indian Point 2 nuclear generating station in 1995.

  16. Water chemical control of the TRIGA IPR-R1 reactor primary cooling system

    International Nuclear Information System (INIS)

    Auler, Lucia M.L.A; Chaves, Renata D.A.; Palmieri, Helena E.L.; Menezes, Maria Angela de B.C.; Oliveira, Paulo F.; Kastner, Geraldo F.; Damazio, Ilza; Fagundes, Oliene dos R.; Cintra, Maria Olivia C.; Andrade, Geraldo V. de; Amaral, Angela M.; Franco, Milton B.; Fortes, Flavio; Gomes, Nilton Carlos; Vidal, Andrea; Maretti Junior, Fausto; Knupp, Eliana A.N.; Souza, Wagner de; Guedes, Joao B.; Furtado, Renato C.S.

    2013-01-01

    The TRIGA Mark I IPR-R1 reactor located at CDTN/CNEN has been in operation and contributed to research and with services to society since 1960. Is has been used in several activities such as nuclear power plant operation, graduate and post-graduate training courses, isotope production, and as an analytical irradiation tool of different types of samples. Among the several structural and operational safety requirements is the chemical quality control of the primary circuit cooling water. The aim of this work was to check the cooling water quality from the pool reactor. A water sampling plan was proposed (May, 2011 - June, 2012) and presents the results obtained in this period. The natural radioactivity level as gross alpha and gross beta activity and other chemical parameters (pH and electric conductivity) of the samples were analyzed. Some instrumental techniques were used: potentiometric methods (pH), conductometric methods (electrical conductivity, EC) and gross α and gross β proportional counting system). (author)

  17. Porous TiO₂-Based Gas Sensors for Cyber Chemical Systems to Provide Security and Medical Diagnosis.

    Science.gov (United States)

    Galstyan, Vardan

    2017-12-19

    Gas sensors play an important role in our life, providing control and security of technical processes, environment, transportation and healthcare. Consequently, the development of high performance gas sensor devices is the subject of intense research. TiO₂, with its excellent physical and chemical properties, is a very attractive material for the fabrication of chemical sensors. Meanwhile, the emerging technologies are focused on the fabrication of more flexible and smart systems for precise monitoring and diagnosis in real-time. The proposed cyber chemical systems in this paper are based on the integration of cyber elements with the chemical sensor devices. These systems may have a crucial effect on the environmental and industrial safety, control of carriage of dangerous goods and medicine. This review highlights the recent developments on fabrication of porous TiO₂-based chemical gas sensors for their application in cyber chemical system showing the convenience and feasibility of such a model to provide the security and to perform the diagnostics. The most of reports have demonstrated that the fabrication of doped, mixed and composite structures based on porous TiO₂ may drastically improve its sensing performance. In addition, each component has its unique effect on the sensing properties of material.

  18. Porous TiO2-Based Gas Sensors for Cyber Chemical Systems to Provide Security and Medical Diagnosis

    Science.gov (United States)

    2017-01-01

    Gas sensors play an important role in our life, providing control and security of technical processes, environment, transportation and healthcare. Consequently, the development of high performance gas sensor devices is the subject of intense research. TiO2, with its excellent physical and chemical properties, is a very attractive material for the fabrication of chemical sensors. Meanwhile, the emerging technologies are focused on the fabrication of more flexible and smart systems for precise monitoring and diagnosis in real-time. The proposed cyber chemical systems in this paper are based on the integration of cyber elements with the chemical sensor devices. These systems may have a crucial effect on the environmental and industrial safety, control of carriage of dangerous goods and medicine. This review highlights the recent developments on fabrication of porous TiO2-based chemical gas sensors for their application in cyber chemical system showing the convenience and feasibility of such a model to provide the security and to perform the diagnostics. The most of reports have demonstrated that the fabrication of doped, mixed and composite structures based on porous TiO2 may drastically improve its sensing performance. In addition, each component has its unique effect on the sensing properties of material. PMID:29257076

  19. Effect of aging on the PWR Chemical and Volume Control System

    International Nuclear Information System (INIS)

    Grove, E.J.; Travis, R.J.; Aggarwal, S.K.

    1995-06-01

    The PWR Chemical and Volume Control System (CVCS) is designed to provide both safety and non-safety related functions. During normal plant operation it is used to control reactor coolant chemistry, and letdown and charging flow. In many plants, the charging pumps also provide high pressure injection, emergency boration, and RCP seal injection in emergency situations. This study examines the design, materials, maintenance, operation and actual degradation experiences of the system and main sub-components to assess the potential for age degradation. A detailed review of the Nuclear Plant Reliability Data System (NPRDS) and Licensee Event Report (LER) databases for the 1988--1991 time period, together with a review of industry and NRC experience and research, indicate that age-related degradations and failures have occurred. These failures had significant effects on plant operation, including reactivity excursions, and pressurizer level transients. The majority of these component failures resulted in leakage of reactor coolant outside the containment. A representative plant of each PWR design (W, CE, and B and W) was visited to obtain specific information on system inspection, surveillance, monitoring, and inspection practices. The results of these visits indicate that adequate system maintenance and inspection is being performed. In some instances, the frequencies of inspection were increase in response to repeated failure events. A parametric study was performed to assess the effect of system aging on Core Damage Frequency (CDF). This study showed that as motor-operated valve (MOV) operating failures increased, the contribution of the High Pressure Injection to CDF also increased

  20. Pressure fluctuation analysis for charging pump of chemical and volume control system of nuclear power plant

    Directory of Open Access Journals (Sweden)

    Chen Qiang

    2016-01-01

    Full Text Available Equipment Failure Root Cause Analysis (ERCA methodology is employed in this paper to investigate the root cause for charging pump’s pressure fluctuation of chemical and volume control system (RCV in pressurized water reactor (PWR nuclear power plant. RCA project task group has been set up at the beginning of the analysis process. The possible failure modes are listed according to the characteristics of charging pump’s actual pressure fluctuation and maintenance experience during the analysis process. And the failure modes are analysed in proper sequence by the evidence-collecting. It suggests that the gradually untightened and loosed shaft nut in service should be the root cause. And corresponding corrective actions are put forward in details.

  1. Controlled density of vertically aligned carbon nanotubes in a triode plasma chemical vapor deposition system

    International Nuclear Information System (INIS)

    Lim, Sung Hoon; Park, Kyu Chang; Moon, Jong Hyun; Yoon, Hyun Sik; Pribat, Didier; Bonnassieux, Yvan; Jang, Jin

    2006-01-01

    We report on the growth mechanism and density control of vertically aligned carbon nanotubes using a triode plasma enhanced chemical vapor deposition system. The deposition reactor was designed in order to allow the intermediate mesh electrode to be biased independently from the ground and power electrodes. The CNTs grown with a mesh bias of + 300 V show a density of ∼ 1.5 μm -2 and a height of ∼ 5 μm. However, CNTs do not grow when the mesh electrode is biased to - 300 V. The growth of CNTs can be controlled by the mesh electrode bias which in turn controls the plasma density and ion flux on the sample

  2. Social Hackers: Integration in the Host Chemical Recognition System by a Paper Wasp Social Parasite

    Science.gov (United States)

    Turillazzi, S.; Sledge, M. F.; Dani, F. R.; Cervo, R.; Massolo, A.; Fondelli, L.

    Obligate social parasites in the social insects have lost the worker caste and the ability to establish nests. As a result, parasites must usurp a host nest, overcome the host recognition system, and depend on the host workers to rear their offspring. We analysed cuticular hydrocarbon profiles of live parasite females of the paper wasp social parasite Polistes sulcifer before and after usurpation of host nests, using the non-destructive technique of solid-phase micro-extraction. Our results reveal that hydrocarbon profiles of parasites change after usurpation of host nests to match the cuticular profile of the host species. Chemical evidence further shows that the parasite queen changes the odour of the nest by the addition of a parasite-specific hydrocarbon. We discuss the possible role of this in the recognition and acceptance of the parasite and its offspring in the host colony.

  3. Optical system to study temperature influenced chemical and mechanical changes to the PCD structure

    CSIR Research Space (South Africa)

    Masina, B

    2010-09-01

    Full Text Available .csir.co.za An optical system to study temperature influenced chemical and mechanical changes to the PCD structure Bathusile Masina and Andrew Forbes SAIP 2010: Applied and Industrial Physics 1 October 2010 © CSIR 2010 Slide 2 It is acknowledged that temperature... re (K el vi n) Minutes © CSIR 2010 Slide 15 -0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.4 0.5 0.6 0.7 0.8 0.9 1.0 N or m al iz ed T em pe ra tu re r (m) At steady state we predict a gradient temperature...

  4. Chemical and biological activity in open flows: A dynamical system approach

    International Nuclear Information System (INIS)

    Tel, Tamas; Moura, Alessandro de; Grebogi, Celso; Karolyi, Gyoergy

    2005-01-01

    Chemical and biological processes often take place in fluid flows. Many of them, like environmental or microfluidical ones, generate filamentary patterns which have a fractal structure, due to the presence of chaos in the underlying advection dynamics. In such cases, hydrodynamical stirring strongly couples to the reactivity of the advected species: the outcome of the reaction is then typically different from that of the same reaction taking place in a well-mixed environment. Here we review recent progress in this field, which became possible due to the application of methods taken from dynamical system theory. We place special emphasis on the derivation of effective rate equations which contain singular terms expressing the fact that the reaction takes place on a moving fractal catalyst, on the unstable foliation of the reaction free advection dynamics

  5. Chemical and microbial characteristics of municipal drinking water supply systems in the Canadian Arctic

    DEFF Research Database (Denmark)

    Daley, Kiley; Hansen, Lisbeth Truelstrup; Jamieson, Rob C.

    2017-01-01

    plumbing) could be contributing to Pb, Cu and Fe levels, as the source water in three of the four communities had low alkalinity. The results point to the need for robust disinfection, which may include secondary disinfection or point-of-use disinfection, to prevent microbial risks in drinking water tanks......Drinking water in the vast Arctic Canadian territory of Nunavut is sourced from surface water lakes or rivers and transferred to man-made or natural reservoirs. The raw water is at a minimum treated by chlorination and distributed to customers either by trucks delivering to a water storage tank...... inside buildings or through a piped distribution system. The objective of this study was to characterize the chemical and microbial drinking water quality from source to tap in three hamlets (Coral Harbour, Pond Inlet and Pangnirtung-each has a population of 0.2 mg/L free chlorine). Some buildings...

  6. Studies with solid chlorine chemical for chlorination of sea water systems

    International Nuclear Information System (INIS)

    Sankar, N.; Kumaraswamy, P.; Santhanam, V.S.; Jeena, P.; Hari Krishna, K.; Rajendran, D.

    2015-01-01

    Chlorination is one of the conventional methods to control biofouling of condenser cooling water systems using either river water, reservoir water or sea water. However, there are many safety concerns associated with handling, storage and application of gaseous chlorine. Studies were carried out with suitable alternative chlorine chemical compounds which do not involve majority of these concerns but meet the functional requirement of gas chlorine. Trichloroisocyanuric Acid (TCCA) is one of the suitable alternatives to Gas chlorine. TCCA is a chlorine stabilized compound, stabilized with Cyanuric acid, thus similar to Gas Chlorine in its functions except that it is available in solid form. Release of chlorine is a gradual process in TCCA unlike Gaseous chlorine. Field studies with TCCA indicated gradual and near uniform release rate of chlorine, for longer duration with the requisite free residual chlorine levels (FRC). Thus, use of TCCA could be considered as a suitable alternative for gas chlorine for regular chlorination requirements. (author)

  7. The evaluation of secondary system oxygen-scavenging chemicals using a water-circulating rig

    Energy Technology Data Exchange (ETDEWEB)

    Collins, M.W. [Nuclear Dept., HMS Sultan (United Kingdom)

    2002-07-01

    To assess the efficiency, mode of action and possible by-products of chemical dosing agents, e.g. oxygen scavengers, a circulating water rig was constructed. The rig uses a demineralized water supply as a source of make-up water to fill a recirculating loop of approx. 10 litres volume. The rig pipework is made of polythene with standard off-the shelf pipe fittings and connectors. The following parameters can be measured within the rig: pH and conductivity measured by in-line monitor, dissolved oxygen level, temperature. The system has already been used for some preliminary testing. The following oxygen scavengers have been used for tests: ascorbic acid (vitamin C), N,N-diethyl-hydroxylamine (DEHA), Hydroquinone, hydrazine hydrate and anhydrous sodium sulfite. (authors)

  8. Nobel Prize 1992: Rudolph A. Marcus: theory of electron transfer reactions in chemical systems

    International Nuclear Information System (INIS)

    Ulate Segura, Diego Guillermo

    2011-01-01

    A review of the theory developed by Rudolph A. Marcus is presented, who for his rating to the theory of electron transfer in chemical systems was awarded the Nobel Prize in Chemistry in 1992. Marcus theory has constituted not only a good extension of the use of a spectroscopic principle, but also has provided an energy balance and the application of energy conservation for electron transfer reactions. A better understanding of the reaction coordinate is exposed in terms energetic and establishing the principles that govern the transfer of electrons, protons and some labile small molecular groups as studied at present. Also, the postulates and equations described have established predictive models of reaction time, very useful for industrial environments, biological, metabolic, and others that involve redox processes. Marcus theory itself has also constituted a large contribution to the theory of complex transition [es

  9. Transformation processes influencing physico-chemical forms of radionuclides and trace elements in natural water systems

    International Nuclear Information System (INIS)

    Salbu, B.; Riise, G.; Oughton, D.H.

    1995-01-01

    In order to assess short and long term consequences of radionuclides and trace elements introduced to aquatic systems, knowledge on source terms, key factors and key processes influencing the speciation is essential. The mobility, bioavailability and subsequent transfer into food chains depend on the physico-chemical forms on radionuclides and trace metals. In addition, transformation processes and especially the interaction with natural organic matter (NOM) influences the distribution pattern. Furthermore, the prevailing climate conditions, e.g. episodic events and temperature are vital for fluxes and for the kinetics of the transformation processes. In the present work processes in catchments and processes associated with acidification, episodic events, climate conditions (temperature) and mixing zone phenomena influencing the speciation of radionuclides and trace metals are highlighted. These processes should be highly relevant for assessing far field consequences of radionuclides potentially released from disposal sites. (authors). 21 refs., 8 figs., 1 tab

  10. The evaluation of secondary system oxygen-scavenging chemicals using a water-circulating rig

    International Nuclear Information System (INIS)

    Collins, M.W.

    2002-01-01

    To assess the efficiency, mode of action and possible by-products of chemical dosing agents, e.g. oxygen scavengers, a circulating water rig was constructed. The rig uses a demineralized water supply as a source of make-up water to fill a recirculating loop of approx. 10 litres volume. The rig pipework is made of polythene with standard off-the shelf pipe fittings and connectors. The following parameters can be measured within the rig: pH and conductivity measured by in-line monitor, dissolved oxygen level, temperature. The system has already been used for some preliminary testing. The following oxygen scavengers have been used for tests: ascorbic acid (vitamin C), N,N-diethyl-hydroxylamine (DEHA), Hydroquinone, hydrazine hydrate and anhydrous sodium sulfite. (authors)

  11. Chemical shift-based identification of monosaccharide spin-systems with NMR spectroscopy to complement untargeted glycomics.

    Science.gov (United States)

    Klukowski, Piotr; Schubert, Mario

    2018-06-15

    A better understanding of oligosaccharides and their wide-ranging functions in almost every aspect of biology and medicine promises to uncover hidden layers of biology and will support the development of better therapies. Elucidating the chemical structure of an unknown oligosaccharide is still a challenge. Efficient tools are required for non-targeted glycomics. Chemical shifts are a rich source of information about the topology and configuration of biomolecules, whose potential is however not fully explored for oligosaccharides. We hypothesize that the chemical shifts of each monosaccharide are unique for each saccharide type with a certain linkage pattern, so that correlated data measured by NMR spectroscopy can be used to identify the chemical nature of a carbohydrate. We present here an efficient search algorithm, GlycoNMRSearch, that matches either a subset or the entire set of chemical shifts of an unidentified monosaccharide spin system to all spin systems in an NMR database. The search output is much more precise than earlier search functions and highly similar matches suggest the chemical structure of the spin system within the oligosaccharide. Thus searching for connected chemical shift correlations within all electronically available NMR data of oligosaccharides is a very efficient way of identifying the chemical structure of unknown oligosaccharides. With an improved database in the future, GlycoNMRSearch will be even more efficient deducing chemical structures of oligosaccharides and there is a high chance that it becomes an indispensable technique for glycomics. The search algorithm presented here, together with a graphical user interface, is available at http://glyconmrsearch.santos.pwr.edu.pl. Supplementary data are available at Bioinformatics online.

  12. Chemical resistance of the gram-negative bacteria to different sanitizers in a water purification system

    Directory of Open Access Journals (Sweden)

    Penna Thereza CV

    2006-08-01

    Full Text Available Abstract Background Purified water for pharmaceutical purposes must be free of microbial contamination and pyrogens. Even with the additional sanitary and disinfecting treatments applied to the system (sequential operational stages, Pseudomonas aeruginosa, Pseudomonas fluorescens, Pseudomonas alcaligenes, Pseudomonas picketti, Flavobacterium aureum, Acinetobacter lowffi and Pseudomonas diminuta were isolated and identified from a thirteen-stage purification system. To evaluate the efficacy of the chemical agents used in the disinfecting process along with those used to adjust chemical characteristics of the system, over the identified bacteria, the kinetic parameter of killing time (D-value necessary to inactivate 90% of the initial bioburden (decimal reduction time was experimentally determined. Methods Pseudomonas aeruginosa, Pseudomonas fluorescens, Pseudomonas alcaligenes, Pseudomonas picketti, Flavobacterium aureum, Acinetobacter lowffi and Pseudomonas diminuta were called in house (wild bacteria. Pseudomonas diminuta ATCC 11568, Pseudomonas alcaligenes INCQS , Pseudomonas aeruginosa ATCC 15442, Pseudomonas fluorescens ATCC 3178, Pseudomonas picketti ATCC 5031, Bacillus subtilis ATCC 937 and Escherichia coli ATCC 25922 were used as 'standard' bacteria to evaluate resistance at 25°C against either 0.5% citric acid, 0.5% hydrochloric acid, 70% ethanol, 0.5% sodium bisulfite, 0.4% sodium hydroxide, 0.5% sodium hypochlorite, or a mixture of 2.2% hydrogen peroxide (H2O2 and 0.45% peracetic acid. Results The efficacy of the sanitizers varied with concentration and contact time to reduce decimal logarithmic (log10 population (n cycles. To kill 90% of the initial population (or one log10 cycle, the necessary time (D-value was for P. aeruginosa into: (i 0.5% citric acid, D = 3.8 min; (ii 0.5% hydrochloric acid, D = 6.9 min; (iii 70% ethanol, D = 9.7 min; (iv 0.5% sodium bisulfite, D = 5.3 min; (v 0.4% sodium hydroxide, D = 14.2 min; (vi 0.5% sodium

  13. System sight at a problem of efficiency of enterprises’s operaton of the Russian chemical complex

    Directory of Open Access Journals (Sweden)

    Svyatoslav Arkadyevich Nikitin

    2011-06-01

    Full Text Available Chemical industry plays an important role in the development of the domestic economy as one of the basic facilities of Russia's economy, laying the foundation for its long-term and stable development. As a major supplier of raw materials, intermediates, and products of various materials (plastics, chemical fibers, tires, paints and varnishes, dyes, fertilizers, feed additives, pharmaceuticals, medical equipment etc. in almost all sectors of industry, agriculture, health care, human services, commerce, science, culture and education, defense industry, chemical complex has direct impact on the efficiency of their operation and development in these new directions. Therefore, the condition and development of domestic chemistry determines the level of national competitiveness, economic growth and Russia's wealth. However, like most industries in Russia today, chemical industry is going through a difficult period. The presence of a set of common economic problems (identified by technological backwardness and high depreciation, low innovation activity of domestic enterprises of the chemical complex, a lack of effectiveness of the investment process, infrastructure and resource constraints etc., as well as internal management problems causes the rapid growth of interest of uncompetitive Russian chemical products on the world market. Under these conditions, not only a radical adjustment of the internal control systems and chemical plants, but also a significant organizational and economic change is required. Thus, unless we take measures to improve the domestic chemical industry in the coming years, almost all of it grow back and may get into the situation of struggle for survival.

  14. Effect of temperature on removal of trace organic chemicals in managed aquifer recharge systems

    KAUST Repository

    Alidina, Mazahirali

    2015-03-01

    This study was undertaken to investigate whether changes in temperature experienced in MAR systems affect attenuation of trace organic chemicals (TOrCs). A set of laboratory-scale soil columns were placed in a temperature-controlled environmental chamber and operated at five different temperature set-points (30, 20, 10, 8 and 4. °C) covering the range of typical groundwater temperatures in cold, moderate and arid climate regions. Removal of bulk organic carbon both in the infiltration zone as well as during deeper infiltration was independent of temperature. Of the 22 TOrCs investigated, only six chemicals exhibited changes in attenuation as a function of temperature. Attenuation of four of the compounds (diclofenac, gemfibrozil, ketoprofen and naproxen) decreased as the temperature was reduced from 30. °C to 4. °C, likely due to decreased microbial activity at lower temperatures. As the temperature was decreased, however, attenuation of oxybenzone and trimethoprim were noted to increase. This increased attenuation was likely due to more efficient sorption at lower temperatures, though possible changes in the microbial composition as the temperature decreased may also have contributed to this change. Changes in rate constants of attenuation (. ka) for the biotransformed TOrCs with temperature suggested the existence of a critical temperature at 10. °C for three of the four TOrCs, where significant changes to rates of attenuation occurred. Results from this study indicated that for most TOrCs, changes in temperature do not impact their attenuation. Thus, seasonal changes in temperature are not considered to be a major concern for attenuation of most TOrCs in MAR systems.

  15. Effect of temperature on removal of trace organic chemicals in managed aquifer recharge systems.

    Science.gov (United States)

    Alidina, Mazahirali; Shewchuk, Justin; Drewes, Jörg E

    2015-03-01

    This study was undertaken to investigate whether changes in temperature experienced in MAR systems affect attenuation of trace organic chemicals (TOrCs). A set of laboratory-scale soil columns were placed in a temperature-controlled environmental chamber and operated at five different temperature set-points (30, 20, 10, 8 and 4°C) covering the range of typical groundwater temperatures in cold, moderate and arid climate regions. Removal of bulk organic carbon both in the infiltration zone as well as during deeper infiltration was independent of temperature. Of the 22 TOrCs investigated, only six chemicals exhibited changes in attenuation as a function of temperature. Attenuation of four of the compounds (diclofenac, gemfibrozil, ketoprofen and naproxen) decreased as the temperature was reduced from 30°C to 4°C, likely due to decreased microbial activity at lower temperatures. As the temperature was decreased, however, attenuation of oxybenzone and trimethoprim were noted to increase. This increased attenuation was likely due to more efficient sorption at lower temperatures, though possible changes in the microbial composition as the temperature decreased may also have contributed to this change. Changes in rate constants of attenuation (ka) for the biotransformed TOrCs with temperature suggested the existence of a critical temperature at 10°C for three of the four TOrCs, where significant changes to rates of attenuation occurred. Results from this study indicated that for most TOrCs, changes in temperature do not impact their attenuation. Thus, seasonal changes in temperature are not considered to be a major concern for attenuation of most TOrCs in MAR systems. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system

    OpenAIRE

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-01

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for c...

  17. Efficacy of various chemical disinfectants on biofilms formed in spacecraft potable water system components.

    Science.gov (United States)

    Wong, Wing C; Dudinsky, Lynn A; Garcia, Veronica M; Ott, Charlie M; Castro, Victoria A

    2010-07-01

    As the provision of potable water is critical for successful habitation of the International Space Station (ISS), life support systems were installed in December 2008 to recycle both humidity from the atmosphere and urine to conserve available water in the Station. In-flight pre-consumption testing from the dispensing needle at the Potable Water Dispenser (PWD) indicated that bacterial concentrations exceeded the current ISS specifications of 50 colony-forming units (CFU) ml(-1). Subsequent investigations revealed that a corrugated stainless steel flex hose upstream of the dispensing needle in the PWD was filled with nonsterile water and left at room temperature for more than 1 month before launch. To simulate biofilm formation that was suspected in the flight system, sterile flex hoses were seeded with a consortium of bacterial isolates previously recovered from other ISS water systems, including Ralstonia pickettii, Burkholderia multivorans, Caulobacter vibrioides, and Cupriavidus pauculus. After incubation for 5 days, the hoses were challenged with various chemical disinfectants including hydrogen peroxide (H2O2), colloidal silver, and buffered pH solutions to determine the ability of the disinfectants to decrease and maintain bacterial concentrations below ISS specifications. The disinfection efficacy over time was measured by collecting daily heterotrophic plate counts after exposure to the disinfectants. A single flush with either 6% H2O2 solution or a mixture of 3% H2O2 and 400 ppb colloidal silver effectively reduced the bacterial concentrations to <1 CFU ml(-1) for a period of up to 3 months.

  18. Chemistry integrated circuit: chemical system on a complementary metal oxide semiconductor integrated circuit.

    Science.gov (United States)

    Nakazato, Kazuo

    2014-03-28

    By integrating chemical reactions on a large-scale integration (LSI) chip, new types of device can be created. For biomedical applications, monolithically integrated sensor arrays for potentiometric, amperometric and impedimetric sensing of biomolecules have been developed. The potentiometric sensor array detects pH and redox reaction as a statistical distribution of fluctuations in time and space. For the amperometric sensor array, a microelectrode structure for measuring multiple currents at high speed has been proposed. The impedimetric sensor array is designed to measure impedance up to 10 MHz. The multimodal sensor array will enable synthetic analysis and make it possible to standardize biosensor chips. Another approach is to create new functional devices by integrating molecular systems with LSI chips, for example image sensors that incorporate biological materials with a sensor array. The quantum yield of the photoelectric conversion of photosynthesis is 100%, which is extremely difficult to achieve by artificial means. In a recently developed process, a molecular wire is plugged directly into a biological photosynthetic system to efficiently conduct electrons to a gold electrode. A single photon can be detected at room temperature using such a system combined with a molecular single-electron transistor.

  19. CAN GALACTIC CHEMICAL EVOLUTION EXPLAIN THE OXYGEN ISOTOPIC VARIATIONS IN THE SOLAR SYSTEM?

    International Nuclear Information System (INIS)

    Lugaro, Maria; Liffman, Kurt; Ireland, Trevor R.; Maddison, Sarah T.

    2012-01-01

    A number of objects in primitive meteorites have oxygen isotopic compositions that place them on a distinct, mass-independent fractionation line with a slope of one on a three-isotope plot. The most popular model for describing how this fractionation arose assumes that CO self-shielding produced 16 O-rich CO and 16 O-poor H 2 O, where the H 2 O subsequently combined with interstellar dust to form relatively 16 O-poor solids within the solar nebula. Another model for creating the different reservoirs of 16 O-rich gas and 16 O-poor solids suggests that these reservoirs were produced by Galactic chemical evolution (GCE) if the solar system dust component was somewhat younger than the gas component and both components were lying on the line of slope one in the O three-isotope plot. We argue that GCE is not the cause of mass-independent fractionation of the oxygen isotopes in the solar system. The GCE scenario is in contradiction with observations of the 18 O/ 17 O ratios in nearby molecular clouds and young stellar objects. It is very unlikely for GCE to produce a line of slope one when considering the effect of incomplete mixing of stellar ejecta in the interstellar medium. Furthermore, the assumption that the solar system dust was younger than the gas requires unusual timescales or the existence of an important stardust component that is not theoretically expected to occur nor has been identified to date.

  20. A decontamination system for chemical weapons agents using a liquid solution on a solid sorbent.

    Science.gov (United States)

    Waysbort, Daniel; McGarvey, David J; Creasy, William R; Morrissey, Kevin M; Hendrickson, David M; Durst, H Dupont

    2009-01-30

    A decontamination system for chemical warfare agents was developed and tested that combines a liquid decontamination reagent solution with solid sorbent particles. The components have fewer safety and environmental concerns than traditional chlorine bleach-based products or highly caustic solutions. The liquid solution, based on Decon Greentrade mark, has hydrogen peroxide and a carbonate buffer as active ingredients. The best solid sorbents were found to be a copolymer of ethylene glycol dimethacrylate and n-lauryl methacrylate (Polytrap 6603 Adsorber); or an allyl methacrylate cross-linked polymer (Poly-Pore E200 Adsorber). These solids are human and environmentally friendly and are commonly used in cosmetics. The decontaminant system was tested for reactivity with pinacolyl methylphosphonofluoridate (Soman, GD), bis(2-chloroethyl)sulfide (Mustard, HD), and S-(2-diisopropylaminoethyl) O-ethyl methylphosphonothioate (VX) by using NMR Spectroscopy. Molybdate ion (MoO(4)(-2)) was added to the decontaminant to catalyze the oxidation of HD. The molybdate ion provided a color change from pink to white when the oxidizing capacity of the system was exhausted. The decontaminant was effective for ratios of agent to decontaminant of up to 1:50 for VX (t(1/2) decontamination solution were measured to show that the sorbent decreased the vapor concentration of GD. The E200 sorbent had the additional advantage of absorbing aqueous decontamination solution without the addition of an organic co-solvent such as isopropanol, but the rate depended strongly on mixing for HD.

  1. The Global Food System as a Transport Pathway for Hazardous Chemicals: The Missing Link between Emissions and Exposure

    OpenAIRE

    Ng, Carla A.; von Goetz, Natalie

    2016-01-01

    Background: Food is a major pathway for human exposure to hazardous chemicals. The modern food system is becoming increasingly complex and globalized, but models for food-borne exposure typically assume locally derived diets or use concentrations directly measured in foods without accounting for food origin. Such approaches may not reflect actual chemical intakes because concentrations depend on food origin, and representative analysis is seldom available. Processing, packaging, storage, and ...

  2. Impacts of fire, fire-fighting chemicals and post-fire stabilization techniques on the soil-plant system

    OpenAIRE

    Fernández Fernández, María

    2017-01-01

    Forest fires, as well as fire-fighting chemicals, greatly affect the soil-plant system causing vegetation loss, alterations of soil properties and nutrient losses through volatilization, leaching and erosion. Soil recovery after fires depends on the regeneration of the vegetation cover, which protects the soil and prevents erosion. Fire-fighting chemicals contain compounds potentially toxic for plants and soil organisms, and thus their use might hamper the regeneration of burnt ecosystems. In...

  3. Alternative Processes for Water Reclamation and Solid Waste Processing in a Physical/chemical Bioregenerative Life Support System

    Science.gov (United States)

    Rogers, Tom D.

    1990-01-01

    Viewgraphs on alternative processes for water reclamation and solid waste processing in a physical/chemical-bioregenerative life support system are presented. The main objective is to focus attention on emerging influences of secondary factors (i.e., waste composition, type and level of chemical contaminants, and effects of microorganisms, primarily bacteria) and to constructively address these issues by discussing approaches which attack them in a direct manner.

  4. Effect of chemical and mechanical weed control on cassava yield, soil quality and erosion under cassava cropping system

    Science.gov (United States)

    Islami, Titiek; Wisnubroto, Erwin; Utomo, Wani

    2016-04-01

    Three years field experiments were conducted to study the effect of chemical and mechanical weed control on soil quality and erosion under cassava cropping system. The experiment were conducted at University Brawijaya field experimental station, Jatikerto, Malang, Indonesia. The experiments were carried out from 2011 - 2014. The treatments consist of three cropping system (cassava mono culture; cassava + maize intercropping and cassava + peanut intercropping), and two weed control method (chemical and mechanical methods). The experimental result showed that the yield of cassava first year and second year did not influenced by weed control method and cropping system. However, the third year yield of cassava was influence by weed control method and cropping system. The cassava yield planted in cassava + maize intercropping system with chemical weed control methods was only 24 t/ha, which lower compared to other treatments, even with that of the same cropping system used mechanical weed control. The highest cassava yield in third year was obtained by cassava + peanuts cropping system with mechanical weed control method. After three years experiment, the soil of cassava monoculture system with chemical weed control method possessed the lowest soil organic matter, and soil aggregate stability. During three years of cropping soil erosion in chemical weed control method, especially on cassava monoculture, was higher compared to mechanical weed control method. The soil loss from chemical control method were 40 t/ha, 44 t/ha and 54 t/ha for the first, second and third year crop. The soil loss from mechanical weed control method for the same years was: 36 t/ha, 36 t/ha and 38 t/ha. Key words: herbicide, intercropping, soil organic matter, aggregate stability.

  5. Proton-sensing transistor systems for detecting ion leakage from plasma membranes under chemical stimuli.

    Science.gov (United States)

    Imaizumi, Yuki; Goda, Tatsuro; Schaffhauser, Daniel F; Okada, Jun-Ichi; Matsumoto, Akira; Miyahara, Yuji

    2017-03-01

    The membrane integrity of live cells is routinely evaluated for cytotoxicity induced by chemical or physical stimuli. Recent progress in bioengineering means that high-quality toxicity validation is required. Here, we report a pH-sensitive transistor system developed for the continuous monitoring of ion leakage from cell membranes upon challenge by toxic compounds. Temporal changes in pH were generated with high reproducibility via periodic flushing of HepG2 cells on a gate insulator of a proton-sensitive field-effect transistor with isotonic buffer solutions with/without NH 4 Cl. The pH transients at the point of NH 4 Cl addition/withdrawal originated from the free permeation of NH 3 across the semi-permeable plasma membranes, and the proton sponge effect produced by the ammonia equilibrium. Irreversible attenuation of the pH transient was observed when the cells were subjected to a membrane-toxic reagent. Experiments and simulations proved that the decrease in the pH transient was proportional to the area of the ion-permeable pores on the damaged plasma membranes. The pH signal was correlated with the degree of hemolysis produced by the model reagents. The pH assay was sensitive to the formation of molecularly sized pores that were otherwise not measurable via detection of the leakage of hemoglobin, because the hydrodynamic radius of hemoglobin was greater than 3.1nm in the hemolysis assay. The pH transient was not disturbed by inherent ion-transporter activity. The ISFET assay was applied to a wide variety of cell types. The system presented here is fast, sensitive, practical and scalable, and will be useful for validating cytotoxins and nanomaterials. The plasma membrane toxicity and hemolysis are widely and routinely evaluated in biomaterials science and biomedical engineering. Despite the recent development of a variety of methods/materials for efficient gene/drug delivery systems to the cytosol, the methodologies for safety validation remain unchanged in

  6. Comparison of Some Rural Wastewater Refining Systems Considering Chemical Properties and Heavy Metals

    Directory of Open Access Journals (Sweden)

    Najme Yazdanpanah

    2016-02-01

    compared to the value of the same variable at the inlet. Also, the percentage change of wastewater properties at the outlet ratio to the inlet values in the refining systems was calculated. Meanwhile, the efficiency was evaluated using permissible values reported by the Environmental Protection Organization of Iran. Results and Discussion: The results showed that after purification, the amounts of DO, Cd and Mo were not significantly different among the studied systems, while, the other parameters were found to be similar. In almost all the cases, the amounts of pollutants decreased at the outlets, nevertheless considering the permissible standards, just in few cases the pollution was reduced. Moreover, in comparison to the standard values, the amount of TP increased, while Turbidity decreased. Additionally, the amount of DO was higher than the threshold values. As a result of purification in all the studied systems, the concentrations of Cd and Pb were reduced, whereas the concentration of Ni increased. Also, the concentrations of heavy metals, except Mo were less than the standard values. Conclusion: It was concluded that the selected refining systems had limited performance in the purification of wastewater in the studied rural areas. However, the amounts of pollutants showed some reductions at the outlets, based on the permissible standards reported by the Environmental Protection Organization of Iran. In just a few cases the pollution indices were reduced. In fact, the septic tank systems could not remove the chemical pollutants from wastewaters, although the best performance was observed for TSS and Turbidity, which were reduced with respect to permissible levels. The amounts of BOD and COD were higher than the standard values, indicating low efficiency of the refining systems in removal of chemical and biological agents. Also, the concentration of TP was found to be higher than the permissible level. The entrance of phosphorous into the surface runoff and water

  7. Enhanced Geothermal Systems Research and Development: Models of Subsurface Chemical Processes Affecting Fluid Flow

    Energy Technology Data Exchange (ETDEWEB)

    Moller, Nancy; Weare J. H.

    2008-05-29

    Successful exploitation of the vast amount of heat stored beneath the earth’s surface in hydrothermal and fluid-limited, low permeability geothermal resources would greatly expand the Nation’s domestic energy inventory and thereby promote a more secure energy supply, a stronger economy and a cleaner environment. However, a major factor limiting the expanded development of current hydrothermal resources as well as the production of enhanced geothermal systems (EGS) is insufficient knowledge about the chemical processes controlling subsurface fluid flow. With funding from past grants from the DOE geothermal program and other agencies, we successfully developed advanced equation of state (EOS) and simulation technologies that accurately describe the chemistry of geothermal reservoirs and energy production processes via their free energies for wide XTP ranges. Using the specific interaction equations of Pitzer, we showed that our TEQUIL chemical models can correctly simulate behavior (e.g., mineral scaling and saturation ratios, gas break out, brine mixing effects, down hole temperatures and fluid chemical composition, spent brine incompatibilities) within the compositional range (Na-K-Ca-Cl-SO4-CO3-H2O-SiO2-CO2(g)) and temperature range (T < 350°C) associated with many current geothermal energy production sites that produce brines with temperatures below the critical point of water. The goal of research carried out under DOE grant DE-FG36-04GO14300 (10/1/2004-12/31/2007) was to expand the compositional range of our Pitzer-based TEQUIL fluid/rock interaction models to include the important aluminum and silica interactions (T < 350°C). Aluminum is the third most abundant element in the earth’s crust; and, as a constituent of aluminosilicate minerals, it is found in two thirds of the minerals in the earth’s crust. The ability to accurately characterize effects of temperature, fluid mixing and interactions between major rock-forming minerals and hydrothermal and

  8. Efficacy of Various Chemical Disinfectants on Biofilms Formed in Spacecraft Potable Water System Component

    Science.gov (United States)

    Wong, Willy; Garcia, Veronica; Castro, Victoria; Ott, Mark; Duane

    2009-01-01

    As the provision of potable water is critical for successful habitation of the International Space Station (ISS), life support systems were installed in December 2008 to recycle both humidity from the atmosphere and urine to conserve available water in the vehicle. Pre-consumption testing from the dispensing needle at the Potable Water Dispenser (PWD) indicated that bacterial concentrations exceeded the current ISS specifications of 50 colony forming units (CFU) per ml. Subsequent investigations revealed that a corrugated stainless steel flex hose upstream of the dispensing needle in the PWD was filled with non-sterile water and left at room temperature for over one month before launch. To simulate biofilm formation that was suspected in the flight system, sterile flex hoses were seeded with a consortium of bacterial isolates previously recovered from other ISS water systems, which included Ralstonia pickettii, Burkholderia multivorans, Caulobacter vibrioides., and Cupriavidus pauculus. After 5 days of incubation, these hoses were challenged with various chemical disinfectants including hydrogen peroxide, colloidal silver, and buffered pH solutions to determine the ability of the disinfectants to decrease and maintain bacterial concentrations below ISS specifications. Disinfection efficacy over time was measured by collecting daily heterotrophic plate counts following exposure to the disinfectants. A single flush with either 6% hydrogen peroxide solution or a mixture of 3% hydrogen peroxide and 400 ppb colloidal silver effectively reduced the bacterial concentrations to less than 1 CFU/ml for a period of up to 2 months. Testing results indicated that hydrogen peroxide and mixtures of hydrogen peroxide and colloidal silver have tremendous potential as alternative disinfectants for ISS water systems.

  9. Water and chemical budgets in an urbanized river system under various hydrological conditions

    Science.gov (United States)

    Brion, Natacha; Carbonnel, Vincent; Elskens, Marc; Claeys, Philippe; Verbanck, Michel A.

    2017-04-01

    Since historical times, riversides are preferential settlement places for human life and activities, ultimately leading to the development of Cities. Available water resources are not only essential to ensure human's vital functions, they are also used for the production of food, goods, and energy, as transport routes and as evacuation ways for domestic and industrial waste products. All these activities profoundly modify natural water circulation as well as water quality, with increased hydrological risks (floods, droughts,…) and chemical hazards (untreated sewage releases, industrial pollution,…) as consequence. An extreme example of strongly modified river system is the river Zenne crossing the city of Brussels. In and around the city, the river together with its connected navigation canal, determine a small vertical urbanized area (800 km2) combining extreme land-use landscapes. While the southern upstream part of this area lies in a region of intensive agricultural activities, the central part is occupied by a dense cityscape including a forested area, and the downstream part is mainly under industrial influence. In this context, we established a box-model representation of water and selected polluting chemicals (N and P, biological oxygen demand, and a selection of metals, pesticides and PAHs) budgets for the studied area under variable hydrological conditions. We first have identified the general distribution of water and pollutant tracers in the various background sources of the system: waters in streams located in the very upstream parts of the catchment, and untreated and treated sewage. Secondly we have assessed the distribution of water flows, and pollutant tracer concentrations at the boundaries of the studied water systems for different stable hydrological conditions and during flood events. Finally we will discuss water budgets and pollution tracer budgets for a yearly average hydrological situation and for dry and wet weather conditions in order

  10. Substrate Effect on Plasma Clean Efficiency in Plasma Enhanced Chemical Vapor Deposition System

    Directory of Open Access Journals (Sweden)

    Shiu-Ko JangJian

    2007-01-01

    Full Text Available The plasma clean in a plasma-enhanced chemical vapor deposition (PECVD system plays an important role to ensure the same chamber condition after numerous film depositions. The periodic and applicable plasma clean in deposition chamber also increases wafer yield due to less defect produced during the deposition process. In this study, the plasma clean rate (PCR of silicon oxide is investigated after the silicon nitride deposited on Cu and silicon oxide substrates by remote plasma system (RPS, respectively. The experimental results show that the PCR drastically decreases with Cu substrate compared to that with silicon oxide substrate after numerous silicon nitride depositions. To understand the substrate effect on PCR, the surface element analysis and bonding configuration are executed by X-ray photoelectron spectroscopy (XPS. The high resolution inductively coupled plasma mass spectrometer (HR-ICP-MS is used to analyze microelement of metal ions on the surface of shower head in the PECVD chamber. According to Cu substrate, the results show that micro Cu ion and the CuOx bonding can be detected on the surface of shower head. The Cu ion contamination might grab the fluorine radicals produced by NF3 ddissociation in the RPS and that induces the drastic decrease on PCR.

  11. The chemical behavior of the transuranic elements and the barrier function in natural aquifer systems

    International Nuclear Information System (INIS)

    Jewett, J.R.

    1997-01-01

    In a geological repository for long-lived radioactive wastes, such as actinides and certain fission products, most of the stored radionuclides remain immobile in the particular geological formation. If any of these could possibly become mobile, only trace concentrations of a few radionuclides would result. Nevertheless, with an inventory in the repository of many tonnes of transuranic elements, the amounts that could disperse cannot be neglected. A critical assessment of the chemical behavior of these nuclides, especially their migration properties in the aquifer system around the repository site, is mandatory for analysis of the long-term safety. The chemistry requited for this includes many geochemical multicomponent reactions that are so far only partially understood and hich therefore can be quantified only incompletely. A few of these reactions have been discussed in this paper based on present knowledge. If a comprehensive discussion of the subject is impossible because of this ack of information then an attempt to emphasize the importance of the predominant geochemical reactions of the transuranic elements in various aquifer systems should be made

  12. RETRAN code analysis of Tsuruga-2 plant chemical volume control system (CVCS) reactor coolant leakage incident

    International Nuclear Information System (INIS)

    Kawai, Hiroshi

    2002-01-01

    In the Chemical Volume Control System (CVCS) reactor primary coolant leakage incident, which occurred in Tsuruga-2 (4-loop PWR, 3,423 MWt, 1,160 MWe) on July 12, 1999, it took about 14 hours before the leakage isolation. The delayed leakage isolation and a large amount of leakage have become a social concern. Effective procedure modification was studied. Three betterments were proposed based on a qualitative analysis to reduce the pressure and temperature of the primary loop as fast as possible by the current plant facilities while maintaining enough subcooling of the primary loop. I analyzed the incident with RETRAN code in order to quantitatively evaluate the leakage reduction when these betterments are adopted. This paper is very new because it created a typical analysis method for PWR plant behavior during plant shutdown procedure which conventional RETRAN transient analyses rarely dealt with. Also the event time is very long. To carry out this analysis successfully, I devised new models such as an Residual Heat Removal System (RHR) model etc. and simplified parts of the conventional model. Based on the analysis results, I confirmed that leakage can be reduced by about 30% by adopting these betterments. Then the Japan Atomic Power Company (JAPC) modified the operational procedure for reactor primary coolant leakage events adopting these betterments. (author)

  13. Establishment of a Fast Chemical Identification System for screening of counterfeit drugs of macrolide antibiotics.

    Science.gov (United States)

    Hu, Chang-Qin; Zou, Wen-Buo; Hu, Wang-Sheng; Ma, Xiao-Kang; Yang, Min-Zhi; Zhou, Shi-Lin; Sheng, Jin-Fang; Li, Yuan; Cheng, Shuang-Hong; Xue, Jing

    2006-01-23

    A Fast Chemical Identification System (FCIS) consisting of two colour reactions based on functional groups in molecules of macrolide antibiotics and two TLC methods was developed for screening of fake macrolide drugs. The active ingredients could be extracted from their oral preparations by absolute alcohol. Sulfuric acid reaction as a common reaction of macrolides was first used to distinguish the macrolides from other types of drugs and then 16-membered macrolides and 14-membered ones were distinguished by potassium permanganate reactions depending on the time of loss of colour in the test solution; after which a TLC method carried out on a GF(254) plate (5 cm x 10 cm) was chosen to further identification of the macrolides. The mobile phase A consisting of ethyl acetate, hexane and ammonia (100:15:15, v/v) was used for the identification of 14-membered macrolides, and the mobile phase B consisting of trichloromethane, methanol and ammonia (100:5:1, v/v) was used for the identification of 16-membered ones. A suspected counterfeit macrolide preparation can be identified within 40 min. The system can be used under different conditions and has the virtues of robustness, simplicity and speed.

  14. Advanced-safeguards systems development for chemical-processing plants. Final report for FY 1980

    International Nuclear Information System (INIS)

    Cartan, F.O.

    1981-04-01

    The program is installing a computer system to test and evaluate process monitoring as a new Safeguards function to supplement the usual physical security and accountability functions. Safeguards development sensors and instruments installed in the Idaho Chemical Processing Plant (ICPP) provide information via a data acquisition system to a Safeguards analysis computer. The monitoring function can significantly enhance current material control (accountability) and containment surveillance capabilities for domestic and international Safeguards uses. Installation of sensors and instruments in the ICPP was more than 75% complete in FY-1980. Installation work was halted at the request of ICPP operations near the end of the year to eliminate possible conflict with instrument calibrations prior to plant startup. Some improvements to the computer hardware were made during FY-1980. Sensor and instrument development during FY-1980 emphasized device testing for ICPP monitoring applications. Pressure transducers, pressure switches, a bubble flowmeter, and load cells were tested; an ultrasonic liquid-in-line sensor was developed and tested. Work on the portable, isotope-ratio mass spectrometer led to the comparison of the HP quadrupole instrument with a small magnetic instrument and to the selection of the quadrupole

  15. ScreenCube: A 3D Printed System for Rapid and Cost-Effective Chemical Screening in Adult Zebrafish.

    Science.gov (United States)

    Monstad-Rios, Adrian T; Watson, Claire J; Kwon, Ronald Y

    2018-02-01

    Phenotype-based small molecule screens in zebrafish embryos and larvae have been successful in accelerating pathway and therapeutic discovery for diverse biological processes. Yet, the application of chemical screens to adult physiologies has been relatively limited due to additional demands on cost, space, and labor associated with screens in adult animals. In this study, we present a 3D printed system and methods for intermittent drug dosing that enable rapid and cost-effective chemical administration in adult zebrafish. Using prefilled screening plates, the system enables dosing of 96 fish in ∼3 min, with a 10-fold reduction in drug quantity compared to that used in previous chemical screens in adult zebrafish. We characterize water quality kinetics during immersion in the system and use these kinetics to rationally design intermittent dosing regimens that result in 100% fish survival. As a demonstration of system fidelity, we show the potential to identify two known chemical inhibitors of adult tail fin regeneration, cyclopamine and dorsomorphin. By developing methods for rapid and cost-effective chemical administration in adult zebrafish, this study expands the potential for small molecule discovery in postembryonic models of development, disease, and regeneration.

  16. Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics

    International Nuclear Information System (INIS)

    Li, Guanchen; Al-Abbasi, Omar; Von Spakovsky, Michael R

    2014-01-01

    This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H 2 ↔ FH + H

  17. Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates.

    Science.gov (United States)

    Truong, Lisa; Ouedraogo, Gladys; Pham, LyLy; Clouzeau, Jacques; Loisel-Joubert, Sophie; Blanchet, Delphine; Noçairi, Hicham; Setzer, Woodrow; Judson, Richard; Grulke, Chris; Mansouri, Kamel; Martin, Matthew

    2018-02-01

    In an effort to address a major challenge in chemical safety assessment, alternative approaches for characterizing systemic effect levels, a predictive model was developed. Systemic effect levels were curated from ToxRefDB, HESS-DB and COSMOS-DB from numerous study types totaling 4379 in vivo studies for 1247 chemicals. Observed systemic effects in mammalian models are a complex function of chemical dynamics, kinetics, and inter- and intra-individual variability. To address this complex problem, systemic effect levels were modeled at the study-level by leveraging study covariates (e.g., study type, strain, administration route) in addition to multiple descriptor sets, including chemical (ToxPrint, PaDEL, and Physchem), biological (ToxCast), and kinetic descriptors. Using random forest modeling with cross-validation and external validation procedures, study-level covariates alone accounted for approximately 15% of the variance reducing the root mean squared error (RMSE) from 0.96 log 10 to 0.85 log 10  mg/kg/day, providing a baseline performance metric (lower expectation of model performance). A consensus model developed using a combination of study-level covariates, chemical, biological, and kinetic descriptors explained a total of 43% of the variance with an RMSE of 0.69 log 10  mg/kg/day. A benchmark model (upper expectation of model performance) was also developed with an RMSE of 0.5 log 10  mg/kg/day by incorporating study-level covariates and the mean effect level per chemical. To achieve a representative chemical-level prediction, the minimum study-level predicted and observed effect level per chemical were compared reducing the RMSE from 1.0 to 0.73 log 10  mg/kg/day, equivalent to 87% of predictions falling within an order-of-magnitude of the observed value. Although biological descriptors did not improve model performance, the final model was enriched for biological descriptors that indicated xenobiotic metabolism gene expression, oxidative stress, and

  18. Soil chemical atributtes on brachiaria spp in integrated crop livestock system

    Directory of Open Access Journals (Sweden)

    Valdinei Tadeu Paulino

    2013-12-01

    Full Text Available Integrated crop-livestock systems have attracted more interest in the last few years due to their capacity of improving stability and sustainability of agricultural systems when compared to more specialized production ones. The crop-livestock integration is an effective technique, but complex to maintain pasture productivity and its recovery, whose efficiency depends on soil physical management and its chemical fertility. Regarding the soil fertility, the corrective practices generally begin with the liming due to the high acidity of most Brazilian soils and low levels of Ca and Mg in the exchange complex and high Al saturation. In areas of crop-livestock systems, liming corrects the surface acidity potential. However, this practice can leave the subsoil with excess aluminum and lack of calcium, which inhibit root growth and affect the absorption of water and nutrients. The application of gypsum allows the improvement of the subsoil, reducing Al saturation and increasing levels of calcium and sulfur. The aim of this study was to investigate changes in the soil chemical properties of a Haplorthox soil in integrated crop-livestock system (ICL with Brachiaria brizantha cv. Marandu and Piatã, Brachiaria ruziziensis with gypsum and liming application. This study was conducted at the Instituto de Zootecnia, Nova Odessa/SP, a pasture established on a soil with medium texture (61.4% sand, silt 14.6% and 24.0% clay. The treatment plots consisted on integration crop-livestock (ICL cultivated - maize and B. Marandu,  ICL - maize and B. ruziziensis, ICL - maize and B. Piatã and an untreated control group (control - without liming and fertilization grazed pasture throughout the year, located immediately adjacent to the ICL evaluation, which was cultivated for 25 years with B. brizantha cv. Marandu. All pastures were desiccated in October with glyphosate-based herbicide (4 liters per hectare. Then gypsum (1.2 Mg ha-1 and liming (1.2 Mg ha-1 were applied

  19. A predictive model for the chemical vapor deposition of polysilicon in a cold wall, rapid thermal system

    Energy Technology Data Exchange (ETDEWEB)

    Toprac, A.J.; Trachtenberg, I.; Edgar, T.F. (Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering)

    1994-06-01

    The chemical vapor deposition of polysilicon from thermally activated silane in a cold wall, single-wafer rapid thermal system was studied by experimentation at a variety of low pressure conditions, including very high temperatures. The effect of diluent gas on polysilicon deposition rates was examined using hydrogen, helium, and krypton. A mass-transfer model for the chemical vapor deposition of polysilicon in a cold wall, rapid thermal system was developed. This model was used to produce an empirical rate expression for silicon deposition from silane by regressing kinetic parameters to fit experimental data. The resulting model provided accurate predictions over widely varying conditions in the experimental data.

  20. The role of the central ghrelin system in reward from food and chemical drugs.

    Science.gov (United States)

    Dickson, Suzanne L; Egecioglu, Emil; Landgren, Sara; Skibicka, Karolina P; Engel, Jörgen A; Jerlhag, Elisabet

    2011-06-20

    Here we review recent advances that identify a role for the central ghrelin signalling system in reward from both natural rewards (such as food) and artificial rewards (that include alcohol and drugs of abuse). Whereas ghrelin emerged as a stomach-derived hormone involved in energy balance, hunger and meal initiation via hypothalamic circuits, it now seems clear that it also has a role in motivated reward-driven behaviours via activation of the so-called "cholinergic-dopaminergic reward link". This reward link comprises a dopamine projection from the ventral tegmental area (VTA) to the nucleus accumbens together with a cholinergic input, arising primarily from the laterodorsal tegmental area. Ghrelin administration into the VTA or LDTg activates the "cholinergic-dopaminergic" reward link, suggesting that ghrelin may increase the incentive value of motivated behaviours such as reward-seeking behaviour ("wanting" or "incentive motivation"). Further, direct injection of ghrelin into the brain ventricles or into the VTA increases the consumption of rewarding foods as well as alcohol in mice and rats. Studies in rodents show beneficial effects of ghrelin receptor (GHS-R1A) antagonists to suppress the intake of palatable food, to reduce preference for caloric foods, to suppress food reward and motivated behaviour for food. They have also been shown to reduce alcohol consumption, suppress reward induced by alcohol, cocaine and amphetamine. Furthermore, variations in the GHS-R1A and pro-ghrelin genes have been associated with high alcohol consumption, smoking and increased weight gain in alcohol dependent individuals as well as with bulimia nervosa and obesity. Thus, the central ghrelin signalling system interfaces neurobiological circuits involved in reward from food as well as chemical drugs; agents that directly or indirectly suppress this system emerge as potential candidate drugs for suppressing problematic over-eating that leads to obesity as well as for the

  1. Organization of a system of guarantee of quality for the control of specifications of chemical reagents

    International Nuclear Information System (INIS)

    Bustamante Gutierrez, M. G.

    2000-01-01

    Analytic methods were implemented based on valuations acid-base and redox for the quantitative determination of sodium hidroxid, iodine and iron chloride III, like part of a system of quality for the technical specifications of these reagents. The planning of its system of quality includes two fundamental parts: insurance and control of quality. In the insurance part the state of operation of the team that you uses settled down, gauges the one that achieve to maintain under the supervision of a single operator (electronic equip and glassware) and the design of the appropriate documents settled down to carry out the periodic supervision of the acting of the same ones and other aspects characteristic of the system (experimental results). Also protocolized and validated the analytic methods to use following the approaches of precision given by ASTM, organism whose methodologies are recognized in the country like official; other procedures, as that of calibration of the volumetric equipments, they were also protocolized. In the part of control of quality, the limits settled down and procedures were applied the scales and used other, to the necessary distilled water to carry out the determinations and to the used chemical reagents. With base in the obtained results you determines that the analyzed reagents fulfill the specifications of ACS (and with those reported by the maker) at the same time settled down that the laboratory 09 of the Chemistry School, used in a large part of development of this project, it didn't fulfill the necessary requirements so that it works as laboratory of control of quality. As an alternative, the administration of the School outlines as solution the use of the Laboratory of Insurance of the Quality from the Unit of Service to the Industry for such end [es

  2. Determining airborne concentrations of spatial repellent chemicals in mosquito behavior assay systems.

    Directory of Open Access Journals (Sweden)

    Nicholas J Martin

    Full Text Available BACKGROUND: Mosquito behavior assays have been used to evaluate the efficacy of vector control interventions to include spatial repellents (SR. Current analytical methods are not optimized to determine short duration concentrations of SR active ingredients (AI in air spaces during entomological evaluations. The aim of this study was to expand on our previous research to further validate a novel air sampling method to detect and quantitate airborne concentrations of a SR under laboratory and field conditions. METHODOLOGY/PRINCIPAL FINDINGS: A thermal desorption (TD gas chromatography-mass spectrometry (GC-MS method was used to determine the amount of dichlorodiphenyltrichloroethane (DDT in samples of air. During laboratory experiments, 1 L volumes of air were collected over 10 min intervals from a three-chamber mosquito behavior assay system. Significantly higher levels of airborne DDT were measured in the chamber containing textiles treated with DDT compared to chambers free of AI. In the field, 57 samples of air were collected from experimental huts with and without DDT for onsite analysis. Airborne DDT was detected in samples collected from treated huts. The mean DDT air concentrations in these two huts over a period of four days with variable ambient temperature were 0.74 µg/m(3 (n = 17; SD = 0.45 and 1.42 µg/m(3 (n = 30; SD = 0.96. CONCLUSIONS/SIGNIFICANCE: The results from laboratory experiments confirmed that significantly different DDT exposure conditions existed in the three-chamber system establishing a chemical gradient to evaluate mosquito deterrency. The TD GC-MS method addresses a need to measure short-term (<1 h SR concentrations in small volume (<100 L samples of air and should be considered for standard evaluation of airborne AI levels in mosquito behavior assay systems. Future studies include the use of TD GC-MS to measure other semi-volatile vector control compounds.

  3. Improving aerosol interaction with clouds and precipitation in a regional chemical weather modeling system

    Science.gov (United States)

    Zhou, C.; Zhang, X.; Gong, S.; Wang, Y.; Xue, M.

    2016-01-01

    A comprehensive aerosol-cloud-precipitation interaction (ACI) scheme has been developed under a China Meteorological Administration (CMA) chemical weather modeling system, GRAPES/CUACE (Global/Regional Assimilation and PrEdiction System, CMA Unified Atmospheric Chemistry Environment). Calculated by a sectional aerosol activation scheme based on the information of size and mass from CUACE and the thermal-dynamic and humid states from the weather model GRAPES at each time step, the cloud condensation nuclei (CCN) are interactively fed online into a two-moment cloud scheme (WRF Double-Moment 6-class scheme - WDM6) and a convective parameterization to drive cloud physics and precipitation formation processes. The modeling system has been applied to study the ACI for January 2013 when several persistent haze-fog events and eight precipitation events occurred.The results show that aerosols that interact with the WDM6 in GRAPES/CUACE obviously increase the total cloud water, liquid water content, and cloud droplet number concentrations, while decreasing the mean diameters of cloud droplets with varying magnitudes of the changes in each case and region. These interactive microphysical properties of clouds improve the calculation of their collection growth rates in some regions and hence the precipitation rate and distributions in the model, showing 24 to 48 % enhancements of threat score for 6 h precipitation in almost all regions. The aerosols that interact with the WDM6 also reduce the regional mean bias of temperature by 3 °C during certain precipitation events, but the monthly means bias is only reduced by about 0.3 °C.

  4. Improving aerosol interaction with clouds and precipitation in a regional chemical weather modeling system

    Directory of Open Access Journals (Sweden)

    C. Zhou

    2016-01-01

    Full Text Available A comprehensive aerosol–cloud–precipitation interaction (ACI scheme has been developed under a China Meteorological Administration (CMA chemical weather modeling system, GRAPES/CUACE (Global/Regional Assimilation and PrEdiction System, CMA Unified Atmospheric Chemistry Environment. Calculated by a sectional aerosol activation scheme based on the information of size and mass from CUACE and the thermal-dynamic and humid states from the weather model GRAPES at each time step, the cloud condensation nuclei (CCN are interactively fed online into a two-moment cloud scheme (WRF Double-Moment 6-class scheme – WDM6 and a convective parameterization to drive cloud physics and precipitation formation processes. The modeling system has been applied to study the ACI for January 2013 when several persistent haze-fog events and eight precipitation events occurred.The results show that aerosols that interact with the WDM6 in GRAPES/CUACE obviously increase the total cloud water, liquid water content, and cloud droplet number concentrations, while decreasing the mean diameters of cloud droplets with varying magnitudes of the changes in each case and region. These interactive microphysical properties of clouds improve the calculation of their collection growth rates in some regions and hence the precipitation rate and distributions in the model, showing 24 to 48 % enhancements of threat score for 6 h precipitation in almost all regions. The aerosols that interact with the WDM6 also reduce the regional mean bias of temperature by 3 °C during certain precipitation events, but the monthly means bias is only reduced by about 0.3 °C.

  5. A decontamination system for chemical weapons agents using a liquid solution on a solid sorbent

    Energy Technology Data Exchange (ETDEWEB)

    Waysbort, Daniel [Israel Institute for Biological Research, PO Box 19, Ness-Ziona 74100 (Israel); McGarvey, David J. [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)], E-mail: david.mcgarvey@us.army.mil; Creasy, William R.; Morrissey, Kevin M.; Hendrickson, David M. [SAIC, P.O. Box 68, Gunpowder Branch, Aberdeen Proving Ground, MD 21010 (United States); Durst, H. Dupont [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)

    2009-01-30

    A decontamination system for chemical warfare agents was developed and tested that combines a liquid decontamination reagent solution with solid sorbent particles. The components have fewer safety and environmental concerns than traditional chlorine bleach-based products or highly caustic solutions. The liquid solution, based on Decon Green{sup TM}, has hydrogen peroxide and a carbonate buffer as active ingredients. The best solid sorbents were found to be a copolymer of ethylene glycol dimethacrylate and n-lauryl methacrylate (Polytrap 6603 Adsorber); or an allyl methacrylate cross-linked polymer (Poly-Pore E200 Adsorber). These solids are human and environmentally friendly and are commonly used in cosmetics. The decontaminant system was tested for reactivity with pinacolyl methylphosphonofluoridate (Soman, GD), bis(2-chloroethyl)sulfide (Mustard, HD), and S-(2-diisopropylaminoethyl) O-ethyl methylphosphonothioate (VX) by using NMR Spectroscopy. Molybdate ion (MoO{sub 4}{sup -2}) was added to the decontaminant to catalyze the oxidation of HD. The molybdate ion provided a color change from pink to white when the oxidizing capacity of the system was exhausted. The decontaminant was effective for ratios of agent to decontaminant of up to 1:50 for VX (t{sub 1/2} {<=} 4 min), 1:10 for HD (t{sub 1/2} < 2 min with molybdate), and 1:10 for GD (t{sub 1/2} < 2 min). The vapor concentrations of GD above the dry sorbent and the sorbent with decontamination solution were measured to show that the sorbent decreased the vapor concentration of GD. The E200 sorbent had the additional advantage of absorbing aqueous decontamination solution without the addition of an organic co-solvent such as isopropanol, but the rate depended strongly on mixing for HD.

  6. A decontamination system for chemical weapons agents using a liquid solution on a solid sorbent

    International Nuclear Information System (INIS)

    Waysbort, Daniel; McGarvey, David J.; Creasy, William R.; Morrissey, Kevin M.; Hendrickson, David M.; Durst, H. Dupont

    2009-01-01

    A decontamination system for chemical warfare agents was developed and tested that combines a liquid decontamination reagent solution with solid sorbent particles. The components have fewer safety and environmental concerns than traditional chlorine bleach-based products or highly caustic solutions. The liquid solution, based on Decon Green TM , has hydrogen peroxide and a carbonate buffer as active ingredients. The best solid sorbents were found to be a copolymer of ethylene glycol dimethacrylate and n-lauryl methacrylate (Polytrap 6603 Adsorber); or an allyl methacrylate cross-linked polymer (Poly-Pore E200 Adsorber). These solids are human and environmentally friendly and are commonly used in cosmetics. The decontaminant system was tested for reactivity with pinacolyl methylphosphonofluoridate (Soman, GD), bis(2-chloroethyl)sulfide (Mustard, HD), and S-(2-diisopropylaminoethyl) O-ethyl methylphosphonothioate (VX) by using NMR Spectroscopy. Molybdate ion (MoO 4 -2 ) was added to the decontaminant to catalyze the oxidation of HD. The molybdate ion provided a color change from pink to white when the oxidizing capacity of the system was exhausted. The decontaminant was effective for ratios of agent to decontaminant of up to 1:50 for VX (t 1/2 ≤ 4 min), 1:10 for HD (t 1/2 1/2 < 2 min). The vapor concentrations of GD above the dry sorbent and the sorbent with decontamination solution were measured to show that the sorbent decreased the vapor concentration of GD. The E200 sorbent had the additional advantage of absorbing aqueous decontamination solution without the addition of an organic co-solvent such as isopropanol, but the rate depended strongly on mixing for HD

  7. Dynamic combinatorial libraries: from exploring molecular recognition to systems chemistry.

    Science.gov (United States)

    Li, Jianwei; Nowak, Piotr; Otto, Sijbren

    2013-06-26

    Dynamic combinatorial chemistry (DCC) is a subset of combinatorial chemistry where the library members interconvert continuously by exchanging building blocks with each other. Dynamic combinatorial libraries (DCLs) are powerful tools for discovering the unexpected and have given rise to many fascinating molecules, ranging from interlocked structures to self-replicators. Furthermore, dynamic combinatorial molecular networks can produce emergent properties at systems level, which provide exciting new opportunities in systems chemistry. In this perspective we will highlight some new methodologies in this field and analyze selected examples of DCLs that are under thermodynamic control, leading to synthetic receptors, catalytic systems, and complex self-assembled supramolecular architectures. Also reviewed are extensions of the principles of DCC to systems that are not at equilibrium and may therefore harbor richer functional behavior. Examples include self-replication and molecular machines.

  8. Structure alerts for carcinogenicity, and the Salmonella assay system: a novel insight through the chemical relational databases technology.

    Science.gov (United States)

    Benigni, Romualdo; Bossa, Cecilia

    2008-01-01

    In the past decades, chemical carcinogenicity has been the object of mechanistic studies that have been translated into valuable experimental (e.g., the Salmonella assays system) and theoretical (e.g., compilations of structure alerts for chemical carcinogenicity) models. These findings remain the basis of the science and regulation of mutagens and carcinogens. Recent advances in the organization and treatment of large databases consisting of both biological and chemical information nowadays allows for a much easier and more refined view of data. This paper reviews recent analyses on the predictive performance of various lists of structure alerts, including a new compilation of alerts that combines previous work in an optimized form for computer implementation. The revised compilation is part of the Toxtree 1.50 software (freely available from the European Chemicals Bureau website). The use of structural alerts for the chemical biological profiling of a large database of Salmonella mutagenicity results is also reported. Together with being a repository of the science on the chemical biological interactions at the basis of chemical carcinogenicity, the SAs have a crucial role in practical applications for risk assessment, for: (a) description of sets of chemicals; (b) preliminary hazard characterization; (c) formation of categories for e.g., regulatory purposes; (d) generation of subsets of congeneric chemicals to be analyzed subsequently with QSAR methods; (e) priority setting. An important aspect of SAs as predictive toxicity tools is that they derive directly from mechanistic knowledge. The crucial role of mechanistic knowledge in the process of applying (Q)SAR considerations to risk assessment should be strongly emphasized. Mechanistic knowledge provides a ground for interaction and dialogue between model developers, toxicologists and regulators, and permits the integration of the (Q)SAR results into a wider regulatory framework, where different types of

  9. Designing Solutions by a Student Centred Approach: Integration of Chemical Process Simulation with Statistical Tools to Improve Distillation Systems

    Directory of Open Access Journals (Sweden)

    Isabel M. Joao

    2017-09-01

    Full Text Available Projects thematically focused on simulation and statistical techniques for designing and optimizing chemical processes can be helpful in chemical engineering education in order to meet the needs of engineers. We argue for the relevance of the projects to improve a student centred approach and boost higher order thinking skills. This paper addresses the use of Aspen HYSYS by Portuguese chemical engineering master students to model distillation systems together with statistical experimental design techniques in order to optimize the systems highlighting the value of applying problem specific knowledge, simulation tools and sound statistical techniques. The paper summarizes the work developed by the students in order to model steady-state processes, dynamic processes and optimize the distillation systems emphasizing the benefits of the simulation tools and statistical techniques in helping the students learn how to learn. Students strengthened their domain specific knowledge and became motivated to rethink and improve chemical processes in their future chemical engineering profession. We discuss the main advantages of the methodology from the students’ and teachers perspective

  10. Chemical looping reactor system design double loop circulating fluidized bed (DLCFB)

    Energy Technology Data Exchange (ETDEWEB)

    Bischi, Aldo

    2012-05-15

    Chemical looping combustion (CLC) is continuously gaining more importance among the carbon capture and storage (CCS) technologies. It is an unmixed combustion process which takes place in two steps. An effective way to realize CLC is to use two interconnected fluidized beds and a metallic powder circulating among them, acting as oxygen carrier. The metallic powder oxidizes at high temperature in one of the two reactors, the air reactor (AR). It reacts in a highly exothermic reaction with the oxygen of the injected fluidising air. Afterwards the particles are sent to the other reactor where the fuel is injected, the fuel reactor (FR). There, they transport heat and oxygen necessary for the reaction with the injected fuel to take place. At high temperatures, the particle's oxygen reacts with the fuel producing Co2 and steam, and the particles are ready to start the loop again. The overall reaction, the sum of the enthalpy changes of the oxygen carrier oxidation and reduction reactions, is the same as for the conventional combustion. Two are the key features, which make CLC promising both for costs and capture efficiency. First, the high inherent irreversibility of the conventional combustion is avoided because the energy is utilized stepwise. Second, the Co2 is intrinsically separated within the process; so there is in principle no need either of extra carbon capture devices or of expensive air separation units to produce oxygen for oxy-combustion. A lot of effort is taking place worldwide on the development of new chemical looping oxygen carrier particles, reactor systems and processes. The current work is focused on the reactor system: a new design is presented, for the construction of an atmospheric 150kWth prototype working with gaseous fuel and possibly with inexpensive oxygen carriers derived from industrial by-products or natural minerals. It consists of two circulating fluidized beds capable to operate in fast fluidization regime; this will increase the

  11. Chemical Industry Corrosion Management: A Comprehensive Information System (ASSET 2). Final Report

    Energy Technology Data Exchange (ETDEWEB)

    John, Randy C. [Shell Global Solutions, Houston, TX (United States); Young, Arthur L. [Humberside Solutions, Toronto, ON (Canada); Pelton, Arthur D. [CRCT, Ecole Polytechnique de Montreal, Quebec (Canada); Thompson, William T. [Royal Military College of Canada, Kingston, ON (Canada); Wright, Ian G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2008-10-10

    The research sponsored by this project has greatly expanded the ASSET corrosion prediction software system to produce a world-class technology to assess and predict engineering corrosion of metals and alloys corroding by exposure to hot gases. The effort included corrosion data compilation from numerous industrial sources and data generation at Shell Oak Ridge National Laboratory and several other companies for selected conditions. These data were organized into groupings representing various combinations of commercially available alloys and corrosion by various mechanisms after acceptance via a critical screening process to ensure the data were for alloys and conditions, which were adequately well defined, and of sufficient repeatability. ASSET is the largest and most capable, publicly-available technology in the field of corrosion assessment and prediction for alloys corroding by high temperature processes in chemical plants, hydrogen production, energy conversion processes, petroleum refining, power generation, fuels production and pulp/paper processes. The problems addressed by ASSET are: determination of the likely dominant corrosion mechanism based upon information available to the chemical engineers designing and/or operating various processes and prediction of engineering metal losses and lifetimes of commercial alloys used to build structural components. These assessments consider exposure conditions (metal temperatures, gas compositions and pressures), alloy compositions and exposure times. Results of the assessments are determination of the likely dominant corrosion mechanism and prediction of the loss of metal/alloy thickness as a function of time, temperature, gas composition and gas pressure. The uses of these corrosion mechanism assessments and metal loss predictions are that the degradation of processing equipment can be managed for the first time in a way which supports efforts to reduce energy consumption, ensure structural integrity of equipment

  12. Final Technical Report for GO15056 Millennium Cell: Development of an Advanced Chemical Hydrogen Storage and Generation System

    Energy Technology Data Exchange (ETDEWEB)

    Moreno, Oscar [Millennium Cell Inc., Eatontown, NJ (United States)

    2017-02-22

    The objectives of this project are to increase system storage capacity by improving hydrogen generation from concentrated sodium borohydride, with emphasis on reactor and system engineering; to complete a conceptual system design based on sodium borohydride that will include key technology improvements to enable a hydrogen fuel system that will meet the systembased storage capacity of 1.2 kWh/L (36 g H2/L) and 1.5 kWh/kg (45 g H2/kg), by the end of FY 2007; and to utilize engineering expertise to guide Center research in both off-board chemical hydride regeneration and on-board hydrogen generation systems.

  13. Macedonian journal of chemistry and chemical engineering: open journal systems--editor's perspective.

    Science.gov (United States)

    Zdravkovski, Zoran

    2014-01-01

    The development and availability of personal computers and software as well as printing techniques in the last twenty years have made a profound change in the publication of scientific journals. Additionally, the Internet in the last decade has revolutionized the publication process to the point of changing the basic paradigm of printed journals. The Macedonian Journal of Chemistry and Chemical Engineering in its 40-year history has adopted and adapted to all these transformations. In order to keep up with the inevitable changes, as editor-in-chief I felt my responsibility was to introduce an electronic editorial managing of the journal. The choice was between commercial and open source platforms, and because of the limited funding of the journal we chose the latter. We decided on Open Journal Systems, which provided online submission and management of all content, had flexible configuration--requirements, sections, review process, etc., had options for comprehensive indexing, offered various reading tools, had email notification and commenting ability for readers, had an option for thesis abstracts and was installed locally. However, since there is limited support it requires a moderate computer knowledge/skills and effort in order to set up. Overall, it is an excellent editorial platform and a convenient solution for journals with a low budget or journals that do not want to spend their resources on commercial platforms or simply support the idea of open source software.

  14. Quantum Monte Carlo for large chemical systems: implementing efficient strategies for peta scale platforms and beyond

    International Nuclear Information System (INIS)

    Scemama, Anthony; Caffarel, Michel; Oseret, Emmanuel; Jalby, William

    2013-01-01

    Various strategies to implement efficiently quantum Monte Carlo (QMC) simulations for large chemical systems are presented. These include: (i) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel scheme is based on the use of the highly localized character of atomic Gaussian basis functions (not the molecular orbitals as usually done), (ii) the possibility of keeping the memory footprint minimal, (iii) the important enhancement of single-core performance when efficient optimization tools are used, and (iv) the definition of a universal, dynamic, fault-tolerant, and load-balanced framework adapted to all kinds of computational platforms (massively parallel machines, clusters, or distributed grids). These strategies have been implemented in the QMC-Chem code developed at Toulouse and illustrated with numerical applications on small peptides of increasing sizes (158, 434, 1056, and 1731 electrons). Using 10-80 k computing cores of the Curie machine (GENCI-TGCC-CEA, France), QMC-Chem has been shown to be capable of running at the peta scale level, thus demonstrating that for this machine a large part of the peak performance can be achieved. Implementation of large-scale QMC simulations for future exa scale platforms with a comparable level of efficiency is expected to be feasible. (authors)

  15. Chemical effects of (n,2n) reactions on iodate and periodates systems

    International Nuclear Information System (INIS)

    Mendonca, J.M.A. de.

    1975-12-01

    The chemical consequences of (n,2n) reactions on cristalline sodium iodate and periodates were investigated measuring the initial yield and the post irradiation thermal annealing yields (90 0 C) of the separated fractions I - , IO 3 - and IO 4 - . NaIO 3 , NaIO 3 .H 2 O and NaIO 4 , Na 4 H 2 IO 6 , Na 4 I 2 O 9 .3H 2 O containing 127 I and 129 I, or both, were irradiated with 14 MeV neutrons. Results obtained show different effects for each system and that 126 I and 128 I isotopes keep the same behaviour in the irradiated compounds containing only α 127 I or 129 I and in compounds having both 127 I and 129 I. Neither isotope effect nor qualitative differences on thermal annealing at 90 0 C were observed. The annealed fractions in the three studied periodates were IO - 3 and IO - 4 . These results differ from the ones reported previously for (n,γ) reactions on the same compounds [pt

  16. [Detection of nitrite and nitrosocompounds in chemical systems and biological liquids by the calorimetric method].

    Science.gov (United States)

    Titov, V Iu; Petrenko, Iu M; Vanin, A F; Stepuro, I I

    2010-01-01

    The capacity of nitrite, S-nitrosothiols (RS-NO), dinitrosyl iron complexes (DNICs) with thiol-containing ligands, and nitrosoamines to inhibit catalase has been used for the selective determination of these compounds in purely chemical systems and biological liquids: cow milk and colostram. The limiting sensitivity of the method is 50 nM. A comparison of the results of the determinations of RS-NO, DNIC, and nitrite by the catalase method and the Greese method conventionally used for nitrite detection showed that, firstly, Greese reagents decompose DNIC and RS-NO to form nitrite. Therefore, the Greese method cannot be used for nitrite determination in solutions of these substances. Secondly, Greese reagents interact with complexes of mercury ions with RS-NO, inducing the release of nitrosonium ions from the complex followed by the hydrolysis of nitrosonium to nitrite. Thus, the proposition about the spontaneous decay of the complexes of mercury ions with RS-NO is incorrect. Keeping in mind a high sensitivity of the method, the use of catalase as an enzyme detector of nitrosocompounds allows one to detect these compounds in neutral medium without prior purification of the object, thereby preventing artificial effects due to noncontrolled modifications of the compounds under study.

  17. Chemical control of anthrachnose of Sansevieria trisfasciata var. Hahnii on a detached-leaf system.

    Directory of Open Access Journals (Sweden)

    Gerardo Pérez-León

    2015-06-01

    Full Text Available The objective of this work was to assess fungicides to combat Sansevieria trifasciata var. Hahnii anthracnose. Twelve fungicides (alone or in mixture were evaluated on the infection and severity of C. sansevieriae on a detached- leaf system. Fungicides used were azoxystrobin, boscalid + pyraclostrobin, carbendazim + mancozeb, difenoconazole, epoxiconazole + carbendazim, folpet, imazalil, thiophanate-methyl + mancozeb, myclobutanil, and prochloraz. The study was carried out at the Plant Biotechnology Laboratory of the Agricultural Research Center of the University of Costa Rica, during the first semester of 2012. Each chemical treatment was applied by aspersion on the day of inoculation (0 dai or three days after it (3 dai. The number and diameter of the lesions were evaluated after seven, eleven and fifteen dai. Fungicide, application moment, fungicide x application moment interaction and fungicide x evaluation moment interaction significantly affected (p<0,0001 both evaluated variables. Azoxystrobin, boscalid + pyraclostrobin, carbendazim + mancozeb, epoxiconazole + carbendazim and thiophanate-methyl + mancozeb provided 100% protection to Sansevieria leaves throughout the evaluation period (15 days when applied the same day of inoculation (0 dai. After three days of inoculation (3 dai only epoxiconazole + carbendazim completely inhibited the pathogen establishment (zero incidence in the three evaluations when applied azoxystrobin and carbendazim + mancozeb, the incidence was 0% after seven and eleven days for the first treatment and after seven days for the second one.

  18. Chemical reactions in the bedrock-groundwater system of importance for the sorption of actinides

    International Nuclear Information System (INIS)

    Beall, G.W.; Allard, B.; Krajewski, T.; O'Kelley, G.D.

    1979-01-01

    Most suggested alternatives for deep underground disposal of high-level radioactive wastes rely upon several independent barriers like resistant canister materials, waste forms of low solubility in groundwaters and the use of back-fill material of low permeability and with nuclide retaining capacity. These barriers would retard the eventual release of radionuclides from the repository into the groundwater/bedrock system. The final and the only non-engineered barrier would be the host-rock itself. It would be desirable if the rock alone would be able to retain the long-lived radionuclides coming from the waste for long enough times to allow decay to harmless activity levels before they might reach the biosphere. The biological hazards from high-level reprocessng waste as well as from unreprocessed spent uranium fuel are dominated by the actinides and their daughter products (americium, plutonium, neptunium, thorium, radium) from about three hundred years after discharge from the reactor up to millions of years. In order to allow predictions of the migration of the actinides in the ground, the chemical behavior of these elements in groundwater under environmental conditions and their interactions with geologic media must be studied in detail. In this paper, studies of the sorption of americium (trivalent) and neptunium (pentavalent under oxic conditions) on some major rock-forming minerals of igneous rocks and accessory minerals are reported

  19. Chemical Composition of RR Lyn - an Eclipsing Binary System with Am and λ Boo Type Components

    Science.gov (United States)

    Jeong, Yeuncheol; Yushchenko, Alexander V.; Doikov, Dmytry N.; Gopka, Vira F.; Yushchenko, Volodymyr O.

    2017-06-01

    High-resolution spectroscopic observations of the eclipsing binary system RR Lyn were made using the 1.8 m telescope at the Bohuynsan Optical Astronomical Observatory in Korea. The spectral resolving power was R = 82,000, with a signal to noise ratio of S/N > 150. We found the effective temperatures and surface gravities of the primary and secondary components to be equal to Teff = 7,920 & 7,210 K and log(g) = 3.80 & 4.16, respectively. The abundances of 34 and 17 different chemical elements were found in the atmospheric components. Correlations between the derived abundances with condensation temperatures and the second ionization potentials of these elements are discussed. The primary component is a typical metallic line star with the abundances of light and iron group elements close to solar values, while elements with atomic numbers Z > 30 are overabundant by 0.5-1.5 dex with respect to solar values. The secondary component is a λ Boo type star. In this type of stars, CNO abundances are close to solar values, while the abundance pattern shows a negative correlation with condensation temperatures.

  20. Chemical Properties of Caffeic and Ferulic Acids in Biological System: Implications in Cancer Therapy. A Review.

    Science.gov (United States)

    Damasceno, Sarah S; Dantas, Bruna B; Ribeiro-Filho, Jaime; Antônio M Araújo, Demetrius; Galberto M da Costa, José

    2017-01-01

    The antioxidant properties of caffeic and ferulic acids in biological systems have been extensively demonstrated. As antioxidants, these compounds prevent the production of reactive oxygen species (ROS), which cause cell lesions that are associated with the development of several diseases, including cancer. Recent findings suggest that the chemoprotective action of these phenolic acids occurs through the following mechanisms: regulation of gene expression, chelation and / or reduction of transition metals, formation of covalent adducts and direct toxicity. The biological efficacy of these promising chemoprotective agents is strongly related with their chemical structure. Therefore, in this study, we discuss the structural characteristics of ferulic and caffeic acids that are responsible for their biological activities, as well as the mechanisms of action involved with the anti-cancer activity. Several reports indicated that the antioxidant effect of these phenylpropanoids results from reactions with free radicals with formation of stable products in the cells. The chelating effect of these compounds was also reported as an important protective mechanism against oxidative. Finally, the lipophilicity of these agents facilitates their entry into the cells, and thus, contributes to the anticancer activity. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  1. Chemical and visual sensory systems in feeding behaviour of the Antarctic fish Ophthalmolycus amberensis (Zoarcidae

    Directory of Open Access Journals (Sweden)

    Edith Fanta

    2001-03-01

    Full Text Available The Antarctic eelpout Ophthalmolycus amberensis occurs in Admiralty Bay (King George Island, South Shetlands, at 140-200m depth, where light intensity is low. To assess behavioural and sensory adaptations for feeding under these conditions, laboratory tests were undertaken. Dead krill, fish fillet, and live amphipods were the preferred food items. Feeding responses were mainly induced by chemical stimuli. Visual stimuli were weak elicitors, leading to a long delay in the initiation of feeding behaviour. These fishes present a large olfactory epithelium, a high density of taste buds on the snout and close to the nostrils, and a retina that contained long rods, but no cones. Food selection was observed. Varied types of taste buds were present on the lips and in the oro-pharyngeal cavity. The capacity to use a chemo-sensory system as first elicitor for food detection, either in the absence or presence of light, allows O. amberensis to efficiently exploit different habitats at the sea bottom, in all Antarctic seasons.

  2. B827 Chemical Synthhesis Project - Industrial Control System Integration - Statement of Work & Specification with Attachments 1-14

    Energy Technology Data Exchange (ETDEWEB)

    Wade, F. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-04-21

    The Chemical Synthesis Pilot Process at the Lawrence Livermore National Laboratory (LLNL) Site 300 827 Complex will be used to synthesize small quantities of material to support research and development. The project will modernize and increase current capabilities for chemical synthesis at LLNL. The primary objective of this project is the conversion of a non-automated hands-on process to a remoteoperation process, while providing enhanced batch process step control, stored recipe-specific parameter sets, process variable visibility, monitoring, alarm and warning handling, and comprehensive batch record data logging. This Statement of Work and Specification provides the industrial-grade process control requirements for the chemical synthesis batching control system, hereafter referred to as the “Control System” to be delivered by the System Integrator.

  3. Principles of Pharmacology and Toxicology Also Govern Effects of Chemicals on the Endocrine System

    NARCIS (Netherlands)

    Autrup, Herman; Barile, Frank A.; Blaauboer, Bas J.; Degen, Gisela H.; Dekant, Wolfgang; Dietrich, Daniel; Domingo, Jose L.; Gori, Gio Batta; Greim, Helmuth; Hengstler, Jan G.; Kacew, Sam; Marquardt, Hans; Pelkonen, Olavi; Savolainen, Kai; Vermeulen, Nico P.

    The present debate on chemicals with Hormonal activity, often termed 'endocrine disruptors', is highly controversial and includes challenges of the present paradigms used in toxicology and in hazard identification and risk characterization. In our opinion, chemicals with hormonal activity can be

  4. Noise-induced multistability in chemical systems: Discrete versus continuum modeling

    Czech Academy of Sciences Publication Activity Database

    Duncan, A.; Liao, S.; Vejchodský, Tomáš; Erban, R.; Grima, R.

    2015-01-01

    Roč. 91, č. 4 (2015), s. 042111 ISSN 1539-3755 EU Projects: European Commission(XE) 328008 - STOCHDETBIOMODEL Institutional support: RVO:67985840 Keywords : chemical master equation * chemical Fokker-Planck equation * multimodality Subject RIV: BA - General Mathematics Impact factor: 2.288, year: 2014 http://journals.aps.org/pre/abstract/10.1103/PhysRevE.91.042111

  5. Principles of Pharmacology and Toxicology Also Govern Effects of Chemicals on the Endocrine System

    DEFF Research Database (Denmark)

    Autrup, Herman; Barile, Frank A; Blaauboer, Bas J

    2015-01-01

    The present debate on chemicals with Hormonal activity, often termed 'endocrine disruptors', is highly controversial and includes challenges of the present paradigms used in toxicology and in hazard identification and risk characterization. In our opinion, chemicals with hormonal activity can be ...

  6. Compatible biological and chemical control systems for Rhizoctonia solani in potato

    NARCIS (Netherlands)

    Boogert, van den P.H.J.F.; Luttikholt, A.J.G.

    2004-01-01

    A series of chemical and biological control agents were tested for compatibility with the Rhizoctonia-specific biocontrol fungus Verticillium biguttatum aimed at designing novel control strategies for black scurf (Rhizoctonia solani) and other tuber diseases in potato. The efficacy of chemicals,

  7. Innovation in Integrated Chemical Product-Process Design - Development through a Model-based Systems Approach

    DEFF Research Database (Denmark)

    Conte, Elisa

    The ‘consumer oriented chemicals based products’ such as shampoos, sunscreens, insect repellents are used everyday by millions of people. They are structured products, constituted of numerous chemicals. This complexity gives the reason for which mainly experimental techniques are still employed...

  8. Utilizing environmental management information systems to monitor chemical usage and facilitate waste minimization

    Energy Technology Data Exchange (ETDEWEB)

    Blazer, T.L.; Kinney, R.W. [Modern Technologies Corporation, Dayton, OH (United States)

    1996-10-01

    Waste minimization and pollution prevention activities have proven to be valuable to the chemical industry`s and the chemical user`s bottom line. Many companies have found that, with a modest initial capital investment and product modifications, mounds of bureaucratic liability can be removed and substantial cost savings can be realized.

  9. Chemical and microbial characteristics of municipal drinking water supply systems in the Canadian Arctic.

    Science.gov (United States)

    Daley, Kiley; Truelstrup Hansen, Lisbeth; Jamieson, Rob C; Hayward, Jenny L; Piorkowski, Greg S; Krkosek, Wendy; Gagnon, Graham A; Castleden, Heather; MacNeil, Kristen; Poltarowicz, Joanna; Corriveau, Emmalina; Jackson, Amy; Lywood, Justine; Huang, Yannan

    2017-06-13

    Drinking water in the vast Arctic Canadian territory of Nunavut is sourced from surface water lakes or rivers and transferred to man-made or natural reservoirs. The raw water is at a minimum treated by chlorination and distributed to customers either by trucks delivering to a water storage tank inside buildings or through a piped distribution system. The objective of this study was to characterize the chemical and microbial drinking water quality from source to tap in three hamlets (Coral Harbour, Pond Inlet and Pangnirtung-each has a population of water conveyance. Generally, the source and drinking water was of satisfactory microbial quality, containing Escherichia coli levels of water in households receiving trucked water contained less than the recommended 0.2 mg/L of free chlorine, while piped drinking water in Iqaluit complied with Health Canada guidelines for residual chlorine (i.e. >0.2 mg/L free chlorine). Some buildings in the four communities contained manganese (Mn), copper (Cu), iron (Fe) and/or lead (Pb) concentrations above Health Canada guideline values for the aesthetic (Mn, Cu and Fe) and health (Pb) objectives. Corrosion of components of the drinking water distribution system (household storage tanks, premise plumbing) could be contributing to Pb, Cu and Fe levels, as the source water in three of the four communities had low alkalinity. The results point to the need for robust disinfection, which may include secondary disinfection or point-of-use disinfection, to prevent microbial risks in drinking water tanks in buildings and ultimately at the tap.

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  11. Optimizing Managed Aquifer Recharge (MAR) Systems for Removal of Trace Organic Chemicals (TOrCs)

    KAUST Repository

    Alidina, Mazahirali

    2014-06-01

    Managed aquifer recharge (MAR) is a low-energy subsurface water treatment system with the potential of being an important component of sustainable water reuse schemes. Alongside common wastewater contaminants, MAR systems have been shown to attenuate a range of trace organic chemicals (TOrCs). Despite several factors being possibly important for TOrC attenuation, many have not been investigated in depth. This research effort investigated three factors affecting attenuation of the moderately degradable TOrCs: primary substrate, adaptation of the microbial community to presence of TOrCs, and groundwater temperature. The overall goal was to optimize TOrC attenuation using different MAR configurations considering how these factors affect TOrC attenuation. The primary substrate composition and concentration significantly impacted attenuation of the moderately degradable TOrCs. Lower primary substrate concentrations and more refractory carbon generally resulted in better TOrC transformation, a more diverse microbial community in the infiltration zone and more diverse capabilities for TOrC degradation. The enzyme group cytochrome P450 may be important for TOrC transformation since its genes were more abundant under carbon-starving primary substrate conditions. Adaptation of the microbial community by pre-exposure to TOrCs was not required in order to degrade them. However, adaptation to the primary substrate was necessary for TOrC biotransformation due to its effect on the microbial community. Attenuation of most TOrCs was unaffected by changes in temperature. Some moderately degradable TOrCs, however, were better attenuated at higher temperatures likely due to increased microbial activity. Others were better degraded at lower temperatures likely due to favorable sorption conditions. In the context of applying MAR systems to potential water reuse schemes within Saudi Arabia, a reconnaissance study of TOrC occurrence in treated wastewater effluents was undertaken. Most of

  12. Chemical reactivity of {alpha}-isosaccharinic acid in heterogeneous alkaline systems

    Energy Technology Data Exchange (ETDEWEB)

    Glaus, M. A.; Loon, L. R. Van

    2009-05-15

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, {alpha}- isosaccharinic acid ({alpha}-ISA) is the strongest complexant. The prediction of the equilibrium concentration of {alpha}-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of {alpha}-ISA in heterogeneous alkaline model systems containing either Ca(OH){sub 2} or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of {alpha}-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, at either 25 {sup o}C or 90 {sup o}C, and under anaerobic atmospheres obtained by various methods. It was found that {alpha}-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than {alpha}-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was {approx} 50 % of the amount of {alpha}-ISA reacted. Sorption of {alpha}-ISA to Ca(OH){sub 2} contributed only to a minor extent to the loss of {alpha}-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of {alpha}-ISA. Under aerobic conditions {alpha}-ISA was

  13. Chemical reactivity of α-isosaccharinic acid in heterogeneous alkaline systems

    International Nuclear Information System (INIS)

    Glaus, M. A.; Loon, L. R. Van

    2008-11-01

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, α-isosaccharinic acid (α-ISA) is the strongest complexant. The prediction of the equilibrium concentration of α-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of α-ISA in heterogeneous alkaline model systems containing either Ca(OH) 2 or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of α-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, either at 25 o C or 90 o C, and under anaerobic atmospheres obtained by various methods. It was found that α-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than α-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was ∼50 % of the amount of α-ISA reacted. Sorption of α-ISA to Ca(OH) 2 contributed only to a minor extent to the loss of α-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of α-ISA. Under aerobic conditions α-ISA was quantitatively converted to reaction products, whereas under strict anaerobic conditions, only

  14. Chemical reactivity of α-isosaccharinic acid in heterogeneous alkaline systems

    International Nuclear Information System (INIS)

    Glaus, M. A.; Loon, L. R. Van

    2009-05-01

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, α- isosaccharinic acid (α-ISA) is the strongest complexant. The prediction of the equilibrium concentration of α-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of α-ISA in heterogeneous alkaline model systems containing either Ca(OH) 2 or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of α-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, at either 25 o C or 90 o C, and under anaerobic atmospheres obtained by various methods. It was found that α-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than α-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was ∼ 50 % of the amount of α-ISA reacted. Sorption of α-ISA to Ca(OH) 2 contributed only to a minor extent to the loss of α-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of α-ISA. Under aerobic conditions α-ISA was quantitatively converted to reaction products, whereas under strict anaerobic conditions, only

  15. On the matter of the reliability of the chemical monitoring system based on the modern control and monitoring devices

    Science.gov (United States)

    Andriushin, A. V.; Dolbikova, N. S.; Kiet, S. V.; Merzlikina, E. I.; Nikitina, I. S.

    2017-11-01

    The reliability of the main equipment of any power station depends on the correct water chemistry. In order to provide it, it is necessary to monitor the heat carrier quality, which, in its turn, is provided by the chemical monitoring system. Thus, the monitoring system reliability plays an important part in providing reliability of the main equipment. The monitoring system reliability is determined by the reliability and structure of its hardware and software consisting of sensors, controllers, HMI and so on [1,2]. Workers of a power plant dealing with the measuring equipment must be informed promptly about any breakdowns in the monitoring system, in this case they are able to remove the fault quickly. A computer consultant system for personnel maintaining the sensors and other chemical monitoring equipment can help to notice faults quickly and identify their possible causes. Some technical solutions for such a system are considered in the present paper. The experimental results were obtained on the laboratory and experimental workbench representing a physical model of a part of the chemical monitoring system.

  16. ADAPTIVE MONITORING TO ENHANCE WATER SENSOR CAPABILITIES FOR CHEMICAL AND BIOLOGICAL CONTAMINANT DETECTION IN DRINKING WATER SYSTEMS

    Science.gov (United States)

    Optoelectronic and other conventional water quality sensors offer a potential for real-time online detection of chemical and biological contaminants in a drinking water supply and distribution system. The nature of the application requires sensors of detection capabilities at lo...

  17. Analysis of a Stochastic Chemical System Close to a SNIPER Bifurcation of Its Mean-Field Model

    KAUST Repository

    Erban, Radek

    2009-01-01

    A framework for the analysis of stochastic models of chemical systems for which the deterministic mean-field description is undergoing a saddle-node infinite period (SNIPER) bifurcation is presented. Such a bifurcation occurs, for example, in the modeling of cell-cycle regulation. It is shown that the stochastic system possesses oscillatory solutions even for parameter values for which the mean-field model does not oscillate. The dependence of the mean period of these oscillations on the parameters of the model (kinetic rate constants) and the size of the system (number of molecules present) are studied. Our approach is based on the chemical Fokker-Planck equation. To gain some insight into the advantages and disadvantages of the method, a simple one-dimensional chemical switch is first analyzed, and then the chemical SNIPER problem is studied in detail. First, results obtained by solving the Fokker-Planck equation numerically are presented. Then an asymptotic analysis of the Fokker-Planck equation is used to derive explicit formulae for the period of oscillation as a function of the rate constants and as a function of the system size. © 2009 Society for Industrial and Applied Mathematics.

  18. Investigation of certain physical–chemical features of oil recovery by an optimized alkali–surfactant–foam (ASF) system

    NARCIS (Netherlands)

    Hosseini Nasab, S.M.; Zitha, P.L.J.

    2017-01-01

    The objective of this study is to discover a synergistic effect between foam stability in bulk and micro-emulsion phase behaviour to design a high-performance chemical system for an optimized alkaline–surfactant–foam (ASF) flooding for enhanced oil recovery (EOR). The focus is on the interaction

  19. Organization A Comprehensive System Of Insurance Coverage In The Potential Chemical And Biological Contamination Zone In Regions

    Directory of Open Access Journals (Sweden)

    Nina Vladimirovna Zaytseva

    2014-12-01

    Full Text Available The article provides a scientific rationale for an integrated approach to the provision of insurance coverage in the potential chemical and biological contamination zone. The following modern forms of chemical safety in the Russian Federation were considered: state reserve’s system, target program financing, state social insurance. The separate issue tackles the obligatory civil liability insurance for owners of dangerous objects. For improvement of the existing insurance protection system against emergency situations, risks were analyzed (shared on exogenous and endogenous. Among the exogenous risks including natural and climatic conditions of a region, its geographical arrangement, economic specialization, the seismic and terrorist risks were chosen and approaches to its solution were suggested. In endogenous risks’ group, the special focus is on wear and tear and obsolescence of hazardous chemical and biological object’s fixed assets. In case of high risk of an incident, it is suggested to increase in extent of insurance protection through self-insurance, a mutual insurance in the form of the organization of societies of a mutual insurance or the self-regulating organizations, and also development of voluntary insurance of a civil liability, both the owner of hazardous object, and regions of the Russian Federation and municipalities. The model of insurance coverage in the potential chemical and biological contamination zone is based on a differentiated approach to the danger level of the area. A matrix of adequate forms and types of insurance (required for insurance coverage of the population in the potential chemical and biological contamination zone was constructed. Proposed health risk management toolkit in the potential chemical and biological contamination zone will allow to use financial resources for chemical and biological safety in the regions more efficiently.

  20. A comparison of mandatory and voluntary approaches to the implementation of Globally Harmonized System of Classification and Labelling of Chemicals (GHS) in the management of hazardous chemicals.

    Science.gov (United States)

    Ta, Goh Choo; Mokhtar, Mazlin Bin; Peterson, Peter John; Yahaya, Nadzri Bin

    2011-01-01

    The European Union (EU) and the World Health Organization (WHO) have applied different approaches to facilitate the implementation of the UN Globally Harmonized System of Classification and Labelling of Chemicals (GHS). The EU applied the mandatory approach by gazetting the EU Regulation 1272/2008 incorporating GHS elements on classification, labelling and packaging of substances and mixtures in 2008; whereas the WHO utilized a voluntary approach by incorporating GHS elements in the WHO guidelines entitled 'WHO Recommended Classification of Pesticides by Hazard' in 2009. We report on an analysis of both the mandatory and voluntary approaches practised by the EU and the WHO respectively, with close reference to the GHS 'purple book'. Our findings indicate that the mandatory approach practiced by the EU covers all the GHS elements referred to in the second revised edition of the GHS 'purple book'. Hence we can conclude that the EU has implemented the GHS particularly for industrial chemicals. On the other hand, the WHO guidelines published in 2009 should be revised to address concerns raised in this paper. In addition, both mandatory and voluntary approaches should be carefully examined because the classification results may be different.

  1. A systems engineering approach to manage the complexity in sustainable chemical product-process design

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    This paper provides a perspective on model-data based solution approaches for chemical product-process design, which consists of finding the identity of the candidate chemical product, designing the process that can sustainably manufacture it and verifying the performance of the product during...... application. The chemical product tree is potentially very large and a wide range of options exist for selecting the product to make, the raw material to use as well as the processing route to employ. It is shown that systematic computer-aided methods and tools integrated within a model-data based design...

  2. Effects of toxic chemicals on the reproductive system. Council on Scientific Affairs.

    Science.gov (United States)

    1985-06-21

    In an effort to make physicians more aware of the hazards of the workplace to pregnant workers, the Council on Scientific Affairs' Advisory Panel on Reproductive Hazards in the Workplace prepared this third and final report reviewing the effects of chemical exposure. A total of 120 chemicals were considered for reviews based on an estimation of their imminent hazard, ie, widespread use and/or inherent toxicity. Following a brief introduction, which sets out general principles, clinical applications, and aids to the recognition of a human teratogen, the report presents reviews and opinions for three representative chemicals. Information concerning the remaining 117 compounds is available upon request.

  3. Dresden Nuclear Power Station, Unit No. 1: Primary cooling system chemical decontamination: Draft environmental statement (Docket No. 50-10)

    International Nuclear Information System (INIS)

    1980-05-01

    The staff has considered the environmental impact and economic costs of the proposed primary cooling system chemical decontamination at Dresden Nuclear Power Station, Unit 1. The staff has focused this statement on the occupational radiation exposure associated with the proposed Unit 1 decontamination program, on alternatives to chemical decontamination, and on the environmental impact of the disposal of the solid radioactive waste generated by this decontamination. The staff has concluded that the proposed decontamination will not significantly affect the quality of the human environment. Furthermore, any impacts from the decontamination program are outweighed by its benefits. 2 figs., 7 tabs

  4. Nanomaterial based detection and degradation of biological and chemical contaminants in a microfluidic system

    Science.gov (United States)

    Jayamohan, Harikrishnan

    Monitoring and remediation of environmental contaminants (biological and chemical) form the crux of global water resource management. There is an extant need to develop point-of-use, low-power, low-cost tools that can address this problem effectively with minimal environmental impact. Nanotechnology and microfluidics have made enormous advances during the past decade in the area of biosensing and environmental remediation. The "marriage" of these two technologies can effectively address some of the above-mentioned needs. In this dissertation, nanomaterials were used in conjunction with microfluidic techniques to detect and degrade biological and chemical pollutants. In the first project, a point-of-use sensor was developed for detection of trichloroethylene (TCE) from water. A self-organizing nanotubular titanium dioxide (TNA) synthesized by electrochemical anodization and functionalized with photocatalytically deposited platinum (Pt/TNA) was applied to the detection. The morphology and crystallinity of the Pt/TNA sensor was characterized using field emission scanning electron microscope, energy dis- persive x-ray spectroscopy, and X-ray diffraction. The sensor could detect TCE in the concentrations ranging from 10 to 1000 ppm. The room-temperature operation capability of the sensor makes it less power intensive and can potentially be incorporated into a field-based sensor. In the second part, TNA synthesized on a foil was incorporated into a flow-based microfluidic format and applied to degradation of a model pollutant, methylene blue. The system was demonstrated to have enhanced photocatalytic performance at higher flow rates (50-200 muL/min) over the same microfluidic format with TiO2 nanoparticulate (commercial P25) catalyst. The microfluidic format with TNA catalyst was able to achieve 82% fractional conversion of 18 mM methylene blue in comparison to 55% in the case of the TiO2 nanoparticulate layer at a flow rate of 200 L/min. The microfluidic device was

  5. Fast stochastic simulation of biochemical reaction systems by alternative formulations of the chemical Langevin equation

    KAUST Repository

    Mélykúti, Bence; Burrage, Kevin; Zygalakis, Konstantinos C.

    2010-01-01

    The Chemical Langevin Equation (CLE), which is a stochastic differential equation driven by a multidimensional Wiener process, acts as a bridge between the discrete stochastic simulation algorithm and the deterministic reaction rate equation when

  6. AN INNOVATIVE SYSTEM FOR BIOREMEDIATION OF AGRICULTURAL CHEMICALS FOR ENVIRONMENTAL SUSTAINABILITY

    Science.gov (United States)

    Agricultural chemicals (both inorganic and organic) in drainage discharge from watersheds have raised concerns about the quality of surface water resources. For example, hypoxia in the Gulf of Mexico has been related to the nutrients discharging from agricultural watersheds...

  7. Systemic Chemical Desensitization of Peptidergic Sensory Neurons with Resiniferatoxin Inhibits Experimental Periodontitis

    Science.gov (United States)

    Breivik, Torbjørn; Gundersen, Yngvar; Gjermo, Per; Fristad, Inge; Opstad, Per Kristian

    2011-01-01

    Background and objective: The immune system is an important player in the pathophysiology of periodontitis. The brain controls immune responses via neural and hormonal pathways, and brain-neuro-endocrine dysregulation may be a central determinant for pathogenesis. Our current knowledge also emphasizes the central role of sensory nerves. In line with this, we wanted to investigate how desensitization of peptidergic sensory neurons influences the progression of ligature-induced periodontitis, and, furthermore, how selected cytokine and stress hormone responses to Gram-negative bacterial lipopolysaccharide (LPS) stimulation are affected. Material and methods: Resiniferatoxin (RTX; 50 μg/kg) or vehicle was injected subcutaneously on days 1, 2, and 3 in stress high responding and periodontitis-susceptible Fischer 344 rats. Periodontitis was induced 2 days thereafter. Progression of the disease was assessed after the ligatures had been in place for 20 days. Two h before decapitation all rats received LPS (150 μg/kg i.p.) to induce a robust immune and stress response. Results: Desensitization with RTX significantly reduced bone loss as measured by digital X-rays. LPS provoked a significantly higher increase in serum levels of the pro-inflammatory cytokine tumour necrosis factor (TNF)-α, but lower serum levels of the anti-inflammatory cytokine interleukin (IL)-10 and the stress hormone corticosterone. Conclusions: In this model RTX-induced chemical desensitization of sensory peptidergic neurons attenuated ligature-induced periodontitis and promoted a shift towards stronger pro-inflammatory cytokine and weaker stress hormone responses to LPS. The results may partly be explained by the attenuated transmission of immuno-inflammatory signals to the brain. In turn, this may weaken the anti-inflammatory brain-derived pathways. PMID:21339860

  8. Chemical Compositions of Young Stars in the Leading Arm of the Magellanic System

    Science.gov (United States)

    Zhang, L.; Moni Bidin, C.; Casetti-Dinescu, D. I.; Mendez, R. A.; Girard, T. M.; Korchagin, V. I.; Vieira, K.; van Altena, W. F.; Zhao, G.

    2017-07-01

    Seven element abundances (He, C, N, O, Mg, Si, and S) and kinematics were determined for eight O-/B- type stars, based on high resolution spectra taken with the MIKE instrument on the Magellan 6.5m Clay telescope (program ID: CN2014A-057). The sample is selected from 42 candidates Casetti-Dinescu et al.(2014, ApJL, 784, L37) of membership in the Leading Arm (LA) of the Magellanic System. After investigating the relationship between abundances and kinematics parameters, we found that five stars have kinematics compatible with LA membership, i.e. RV>100kms-1. For the five possible LA member stars, Mg abundance is significantly lower than that of the remaining two that are kinematical members of the Galactic disk, and is more close to the LMC values. Distances to the LA members indicate that they are at the edge of the Galactic disk, while ages are of the order of ˜ 50-70 Myr, lower than the dynamical age of the LA, suggesting a single star-forming episode in the LA. VLSR of the LA members decreases with decreasing Magellanic longitude, confirming the results of previous LA gas studies (McClure-Griffiths et al.2008, ApJ, 673, L143). Our abundance and kinematic results for the LA member stars demonstrate that parts of the LA are hydrodynamically interacting with the gaseous Galactic disk, forming young stars that are chemically distinct from those in the Galactic disk. These results can provide constraints to future models for the Magellanic leading material.

  9. Chemical Composition of Young Stars in the Leading Arm of the Magellanic System

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lan; Zhao, Gang [Key Lab. of Optical Astronomy, National Astronomical Observatories, CAS, 20A Datun Road, Chaoyang District, 100012 Beijing (China); Moni Bidin, Christian [Instituto de Astronomía, Universidad Católica del Norte, Av. Angomos 0610, Antofagasta (Chile); Casetti-Dinescu, Dana I. [Department of Physics, Southern Connecticut State University, 501 Crescent Street, New Haven, CT 06515 (United States); Méndez, Réne A. [Departamento de Astronomia Universidad de Chile, Camino El Observatorio #1515, Las Condes, Santiago (Chile); Girard, Terrence M. [14 Dunn Rd, Hamden, Connecticut, CT 06518 (United States); Korchagin, Vladimir I. [Institute of Physics, Southern Federal University, Stachki st/194, 344090, Rostov-on-Don (Russian Federation); Vieira, Katherine; Van Altena, William F. [Centro de Investigaciones de Astronomiá, Apartado Postal 264, Mérida 5101-A (Venezuela, Bolivarian Republic of)

    2017-02-01

    Chemical abundances of eight O- and B-type stars are determined from high-resolution spectra obtained with the MIKE instrument on the Magellan 6.5 m Clay telescope. The sample is selected from 42 candidates for membership in the Leading Arm (LA) of the Magellanic System. Stellar parameters are measured by two independent grids of model atmospheres and analysis procedures, confirming the consistency of the stellar parameter results. Abundances of seven elements (He, C, N, O, Mg, Si, and S) are determined for the stars, as are their radial velocities and estimates of distances and ages. Among the seven B-type stars analyzed, the five that have radial velocities compatible with membership of the LA have an average [Mg/H] of −0.42 ± 0.16, significantly lower than the average of the remaining two, [Mg/H] = −0.07±0.06, which are kinematical members of the Galactic disk. Among the five LA members, four have individual [Mg/H] abundance compatible with that in the LMC. Within errors, we cannot exclude the possibility that one of these stars has an [Mg/H] consistent with the more metal-poor, SMC-like material. The remaining fifth star has an [Mg/H] close to Milky Way values. Distances to the LA members indicate that they are at the edge of the Galactic disk, while ages are of the order of ∼50–70 Myr, lower than the dynamical age of the LA, suggesting a single star-forming episode in the LA. V {sub LSR} of the LA members decreases with decreasing Magellanic longitude, confirming the results of previous LA gas studies.

  10. Degradation of deicing chemicals affects the natural redox system in airfield soils.

    Science.gov (United States)

    Lissner, Heidi; Wehrer, Markus; Jartun, Morten; Totsche, Kai Uwe

    2014-01-01

    During winter operations at airports, large amounts of organic deicing chemicals (DIC) accumulate beside the runways and infiltrate into the soil during spring. To study the transport and degradation of DIC in the unsaturated zone, eight undisturbed soil cores were retrieved at Oslo airport, Norway, and installed as lysimeters at a nearby field site. Before snowmelt in 2010 and 2011, snow amended with a mix of the DICs propylene glycol (PG) and formate as well as bromide as conservative tracer was applied. Water samples were collected and analyzed until summer 2012. Water flow and solute transport varied considerably among the lysimeters but also temporally between 2010 and 2011. High infiltration rates during snowmelt resulted in the discharge of up to 51 and 82% PG in 2010 and 2011, respectively. The discharge of formate remained comparatively low, indicating its favored degradation even at freezing temperatures compared with PG. Manganese (Mn) and iron (Fe) were observed in the drainage in autumn owing to the anaerobic degradation of residual PG during summer. Our findings suggest that upper boundary conditions, i.e., snow cover and infiltration rate, and the extent of preferential flowpaths, control water flow and solute transport of bromide and PG during snowmelt. PG may therefore locally reach deeper soil regions where it may pose a risk for groundwater. In the long term, the use of DIC furthermore causes the depletion of potential electron acceptors and the transport of considerable amounts of Fe and Mn. To avoid an overload of the unsaturated zone with DIC and to maintain the natural redox system, the development of suitable remediation techniques is required.

  11. Fate of Carbofuran and Interaction with Agricultural Chemicals in a Soil-Crop-Water System

    International Nuclear Information System (INIS)

    Koeppe, M.; Lichtenstein, E.P.

    1981-01-01

    Full text: The fate, movement, and metabolism of 14 C-(ring)-carbofuran and its interaction with agricultural chemicals was studied in a soil-corn-water system. Movement of carbofuran through soils occurred under both percolating and non-percolating conditions. Under percolating conditions 49.13% of applied 14 C leached through the soil into the aquaria. Thus, less 14 C-residues were recovered from percolated soils than from nonpercolated soils, 25.85 and 57.90% of applied C, respectively. The control corn contained more than twice as much 14 C-residues as the corn grown under percolating conditions, 22.16 and 10.78% of applied C, respectively. 14 C-(ring)-carbofuran residues added to aquaria containing a layer of lake mud rapidly disappeared from the water and the majority became bound to the lake mud or was metabolized by the Elodea plants to water-soluble or bound 14 C-residues. After 3 weeks incubation 14 C-residues associated with the water, lake mud, Elodea plants and guppies were 2.14, 19.17, 3.65, and 0.19% of applied 14 C, respectively. Initially, the percolated water containing 14 C-residues was toxic to both guppies and Aedes aegypti Linnaeus larvae. However, guppies and Aedes larvae introduced after 9 days incubation survived for the remainder of the experiment. This indicated that toxic 14 C-residues had either degraded to non-toxic compounds or were no longer associated with the water. (author)

  12. Tungsten chemical vapor deposition characteristics using SiH4 in a single wafer system

    International Nuclear Information System (INIS)

    Rosler, R.S.; Mendonca, J.; Rice, M.J. Jr.

    1988-01-01

    Several workers have recently begun using silane as a high-rate, low-temperature alternative to hydrogen for the reduction of WF 6 in the chemical vapor deposition of W. The deposition and film characteristics of both selective and blanket W using this new chemistry are explored in a radiantly heated single wafer system using closed-loop temperature control with a thermocouple in direct contact with the backside of the wafer. Selective W deposition rates of up to 1.5 μm/min were measured over the temperature range 250--550 0 C with blanket W rates typically 2--5 x lower. Resistivity is in the 10--15 μΩcm range at 300 0 C for SiH 4 /WF 6 ratios of 0.2 to 1.0, while above 400 0 C the range is 7.5--8.5 μΩcm. Si content in the W films is quite low at 10 16 to 10 17 atoms/cm 3 . Adhesion to silicon is excellent at temperatures of 350 0 C and above. Selective W using SiH 4 reduction for doped silicon contact fill shows none of the consumption or encroachment problems common to H 2 reduction, although selectivity is more sensitive. Contact resistance for p + and n + silicon contacts are comparable to aluminum controls and to previously published data. Blanket deposition into narrow geometries gives ≥0% step coverage and without keyholes in the 250--450 0 C deposition temperature range. For low-SiH 4 flows, deposition at 500 0 C causes small keyholes, while at 550 0 C even larger keyholes result. At higher SiH 4 flows, keyholes are typically not seen from 250 to 550 0 C

  13. 12C. Environmental Chemical Exposure: Endocrine System Effects and Clinical Health Implications

    OpenAIRE

    Cohen, Aly

    2013-01-01

    Focus Area: Pediatrics Every day, the United States alone uses or imports about 42 million pounds of synthetic chemicals. There are more than 84 000 compounds approved for commercial use in the United States, most of which have never been tested for toxicity. A 2011 policy statement issued by the American Academy of Pediatrics acknowledges that the large quantities of chemicals that enter commerce could be harmful to children's health and development. The contribution of many of these chemica...

  14. A systems engineering approach to manage the complexity in sustainable chemical product-process design

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    This paper provides a perspective on model-data based solution approaches for chemical product-process design, which consists of finding the identity of the candidate chemical product, designing the process that can sustainably manufacture it and verifying the performance of the product during...... framework can manage the complexity associated with product-process problems very efficiently. Three specific computer-aided tools (ICAS, Sustain-Pro and VPPDLab) have been presented and their applications to product-process design, highlighted....

  15. Noise-induced multistability in chemical systems: Discrete versus continuum modeling

    Czech Academy of Sciences Publication Activity Database

    Duncan, A.; Liao, S.; Vejchodský, Tomáš; Erban, R.; Grima, R.

    2015-01-01

    Roč. 91, č. 4 (2015), s. 042111 ISSN 1539-3755 EU Projects: European Commission(XE) 328008 - STOCHDETBIOMODEL Institutional support: RVO:67985840 Keywords : chemical master equation * chemical Fokker-Planck equation * multimodality Subject RIV: BA - General Mathematics Impact factor: 2.288, year: 2014 http://journals. aps .org/pre/abstract/10.1103/PhysRevE.91.042111

  16. Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex Interfacial Systems. Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Sibener, Steven J. [Univ. of Chicago, IL (United States). James Franck Inst. and Dept. of Chemistry

    2014-03-11

    This research program explored the efficacy of using molecular-level manipulation, imaging and scanning tunneling spectroscopy in conjunction with supersonic molecular beam gas-surface scattering to significantly enhance our understanding of chemical processes occurring on well-characterized interfaces. One program focus was on the spatially-resolved emergent behavior of complex reaction systems as a function of the local geometry and density of adsorbate-substrate systems under reaction conditions. Another focus was on elucidating the emergent electronic and related reactivity characteristics of intentionally constructed single and multicomponent atom- and nanoparticle-based materials. We also examined emergent chirality and self-organization in adsorbed molecular systems where collective interactions between adsorbates and the supporting interface lead to spatial symmetry breaking. In many of these studies we combined the advantages of scanning tunneling (STM) and atomic force (AFM) imaging, scanning tunneling local electronic spectroscopy (STS), and reactive supersonic molecular beams to elucidate precise details of interfacial reactivity that had not been observed by more traditional surface science methods. Using these methods, it was possible to examine, for example, the differential reactivity of molecules adsorbed at different bonding sites in conjunction with how reactivity is modified by the local configuration of nearby adsorbates. At the core of this effort was the goal of significantly extending our understanding of interfacial atomic-scale interactions to create, with intent, molecular assemblies and materials with advanced chemical and physical properties. This ambitious program addressed several key topics in DOE Grand Challenge Science, including emergent chemical and physical properties in condensed phase systems, novel uses of chemical imaging, and the development of advanced reactivity concepts in combustion and catalysis including carbon

  17. End-to-End Trajectory for Conjunction Class Mars Missions Using Hybrid Solar-Electric/Chemical Transportation System

    Science.gov (United States)

    Chai, Patrick R.; Merrill, Raymond G.; Qu, Min

    2016-01-01

    NASA's Human Spaceflight Architecture Team is developing a reusable hybrid transportation architecture in which both chemical and solar-electric propulsion systems are used to deliver crew and cargo to exploration destinations. By combining chemical and solar-electric propulsion into a single spacecraft and applying each where it is most effective, the hybrid architecture enables a series of Mars trajectories that are more fuel efficient than an all chemical propulsion architecture without significant increases to trip time. The architecture calls for the aggregation of exploration assets in cislunar space prior to departure for Mars and utilizes high energy lunar-distant high Earth orbits for the final staging prior to departure. This paper presents the detailed analysis of various cislunar operations for the EMC Hybrid architecture as well as the result of the higher fidelity end-to-end trajectory analysis to understand the implications of the design choices on the Mars exploration campaign.

  18. Chemical and structural characterization of soil humic substances under agroforestry and conventional systems

    Directory of Open Access Journals (Sweden)

    Gislane M. de Moraes

    2011-10-01

    Full Text Available Studies have proven that the agroforestry systems in the semi-arid region of the State of Ceará, Brazil, induce an increase in soil organic C levels. Notwithstanding, there is no information if this increase also results in qualitative changes in different pools of soil organic matter. The objective of this study was to verify the possible chemical and structural alterations in fulvic and humic acids of a Luvisol in areas adopting agroforestry, traditional intensive cultivation and native forest in a long-term experiment conducted in the semi-arid region of Ceará State, Brazil. The study was conducted in an experimental area of the National Goat Research Center (Embrapa in Sobral, CE. The following treatments were evaluated: agrosilvopasture (AGP, silvopasture (SILV, intensive cultivation under fallow (ICF, and areas with native forest (NF. Soil fulvic and humic acids fractions were extracted from the 0-6 and 6-12 cm layers and characterized by elemental composition, thermogravimetry and infrared spectroscopy analyses. The elemental composition analysis of humic acids confirmed the data found for fulvic acids, showing reduction in the C, H and N levels, followed by an increase in O contents in the AGP and ICF treatments over SILV and NF. In all treatments, except to SILV in the 0-6 cm layer, the percentage of mass loss was highest (300-600 °C for humic acids in the thermally most stable region. Despite the similarity between infrared spectra, soil fulvic acids in the SILV treatment extracted from 6-12 cm depth decrease the absorption bands at 1708 and 1408 cm-1 followed by an increase in the absorption band at 1608 cm-1 attributed to aromatic C=C groups. This behavior suggests an increase in the aromatic character of the structure. The AGP and ICF treatments, which increase the soil tilling, favored the maintenance of humic substances with a more aromatic character in the soil than SILV and NF. The less aromatic humic substances in the SILV

  19. Morphological and chemical optimization of microcantilever surfaces for thyroid system biosensing and beyond

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Kasey [University of Tennessee, Knoxville, Tennessee 37996-1600 (United States)], E-mail: klhill2823@yahoo.com; Dutta, Pampa; Zareba, Adelajda; Eldridge, Melanie L. [University of Tennessee, Knoxville, Tennessee 37996-1600 (United States); Sepaniak, Michael J. [University of Tennessee, Knoxville, Tennessee 37996-1600 (United States)], E-mail: msepaniak@utk.edu

    2008-09-05

    The development of biosensors is vital in many areas of biotechnology and biomedical research. A prominent new class of label-free biosensors are those based on ligand-induced nanomechanical responses of microcantilevers (MCs). The interaction between biologically significant ligands with bioreceptors (e.g., antibodies or nuclear receptor proteins) immobilized on one side of the MC surface causes an apparent surface stress, resulting in static bending of the MC, which can be detected by an optical beam bending technique. The three key performance metrics of sensitivity, selectivity, and reversibility are foci of the work reported herein. The nature of the MC surface and the method by which the bioreceptor is immobilized influence these performance metrics and, hence, optimization studies involving these were conducted. In our work, the gold surface on one side of the MC is first activated via self-assembled monolayer formation with amino ethane thiol (AET) then reacted with glutaraldehyde (GA) as a crosslinker before finally functionalizing with the protein receptor. We report the effect of concentration, reaction time, and pH for these reagents on the magnitude of the nanomechanical responses using an anti-immunoglobulin G (anti-IgG) receptor: IgG ligand test system. By vapor depositing an alloy of silver and gold and then etching away the former, a nanostructured 'dealloyed' MC surface is created that outperforms a smooth gold MC in terms of nanomechanical responses. Optimization of the dealloying parameters (thickness, metal ratio) is also reported herein using the aforementioned anti-IgG-IgG system. Maximum response was obtained with these conditions: 150 nm dealloyed surface, 1 mM aqueous solution of AET-incubation time 1 h, 1% GA solution in 10 mM pH 8 phosphate buffered saline (PBS)-incubation time 3 h, and 0.5 mg mL{sup -1} of receptor protein solution in 10 mM pH 7 PBS-incubation time 1 h. Additionally, surprising results are reported when

  20. Fracture Toughness, Mechanical Property, And Chemical Characterization Of A Critical Modification To The NASA SLS Solid Booster Internal Material System

    Science.gov (United States)

    Pancoast, Justin; Garrett, William; Moe, Gulia

    2015-01-01

    A modified propellant-liner-insulation (PLI) bondline in the Space Launch System (SLS) solid rocket booster required characterization for flight certification. The chemical changes to the PLI bondline and the required additional processing have been correlated to mechanical responses of the materials across the bondline. Mechanical properties testing and analyses included fracture toughness, tensile, and shear tests. Chemical properties testing and analyses included Fourier transform infrared (FTIR) spectroscopy, cross-link density, high-performance liquid chromatography (HPLC), gas chromatography (GC), gel permeation chromatography (GPC), and wave dispersion X-ray fluorescence (WDXRF). The testing identified the presence of the expected new materials and found the functional bondline performance of the new PLI system was not significantly changed from the old system.