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Sample records for residual gas interactions

  1. Profile Monitors Based on Residual Gas Interaction

    CERN Document Server

    Forck, P; Giacomini, T; Peters, A

    2005-01-01

    The precise determination of transverse beam profiles at high current hadron accelerators has to be performed non-interceptingly. Two methods will be discussed based on the excitation of the residual gas molecules by the beam particles: Firstly, by beam induced fluorescence (BIF) light is emitted from the residual gas molecules and is observed with an image intensified CCD camera. At most laboratories N2 gas is inserted, which has a large cross section for emission in the blue wave length region. Secondly, a larger signal strength is achieved by detecting the ionization products in an Ionization Profile Monitor (IPM). By applying an electric field all ionization products are accelerated toward a spatial resolving Micro-Channel Plate. The signal read-out can either be performed by observing the light from a phosphor screen behind the MCP or electronically by a wire array. Methods to achieve a high spatial resolution and a fast turn-by-turn readout capability are discussed. Even though various approaches at dif...

  2. Residual gas analysis

    International Nuclear Information System (INIS)

    Berecz, I.

    1982-01-01

    Determination of the residual gas composition in vacuum systems by a special mass spectrometric method was presented. The quadrupole mass spectrometer (QMS) and its application in thin film technology was discussed. Results, partial pressure versus time curves as well as the line spectra of the residual gases in case of the vaporization of a Ti-Pd-Au alloy were demonstrated together with the possible construction schemes of QMS residual gas analysers. (Sz.J.)

  3. Vacuum stability and residual gas density estimation for the vacuum chamber upgrade of the ATLAS interaction region of the Large Hadron Collider

    CERN Document Server

    Bregliozzi, G; Baglin, V; Jimenez, J M

    2012-01-01

    The CERN Large Hadron Collider (LHC) has 54 km of ultra-high vacuum (UHV) beam chambers out of which about 90% are at cryogenic temperature (1.9 K) and the rest at room temperature. During operation, the residual gas density in the beam pipes is dominated by beam induced effect such ion, electron and photon-stimulated gas desorption. Therefore, the computation of gas density profile is of great importance to confirm the vacuum stability, and to estimate the beam lifetime. Moreover, the gas density profiles are essential to determine the machine induced background in the experimental areas, and to define the pressure profile in the cryogenic sectors where there is no vacuum instrumentation available. In this paper, the vacuum stability is studied for a newly proposed upgrade of the vacuum chamber at the ATLAS interaction point, using the vacuum stability code called VASCO. The residual gas density profile along the ATLAS vacuum chambers and the effects of photon and electron flux hitting the vacuum chamber wal...

  4. RESIDUAL RISK ASSESSMENT: GAS DISTRIBUTION STAGE ...

    Science.gov (United States)

    This document describes the residual risk assessment for the Gas Distribution Stage 1 souce category. For stationary sources, section 112 (f) of the Clean Air Act requires EPA to assess risks to human health and the environment following implementation of technology-based control standards. If these technology-based control standards do not provide an ample margin of safety, then EPA is required to promulgate addtional standards. This document describes the methodology and results of the residual risk assessment performed for the Gas Distribution Stage 1 source category. The results of this analyiss will assist EPA in determining whether a residual risk rule for this source category is appropriate.

  5. The new method for the residual gas density measurements

    CERN Document Server

    Anashin, V V; Krasnov, A A; Malyshev, O B; Nas'mov, V P; Pyata, E I; Shaftan, T V

    2001-01-01

    A new method of measurement for residual gas density in the vacuum chambers in presence of synchrotron radiation (SR) is described. The method is based on using a photomultiplier tube for the detection of the SR-stimulated residual gas luminescence, which is proportional to the residual gas density and SR intensity. The design of the experimental setup and results of the measurements of densities of residual gases (H sub 2 , CO sub 2 , CO, N sub 2 , Ar and O sub 2) are submitted.

  6. A modeled experiment of gas behavior in aquifer and residual gas formation

    Science.gov (United States)

    Takahashi, K.; Yamada, Y.; Murata, S.; Nakano, M.; Matsuoka, T.

    2007-12-01

    National and international concern is rising about the possible effects of greenhouse gases (GHGs) on the climate. Several methods are proposed to reduce the gas in the atmosphere and underground sequestration is recently expected as an effective concept. Especially, residual gas can be the most effective method to store the gas in reservoir. Underground sequestration requires the gas injected into a reservoir. When the gas is injected into a water- saturated aquifer, it pushes water out of the pore space. As the gas bubbles go upward, the gas space is filled with water again, but small gas bubbles are trapped in the pore space by surface force and capillary pressure of water. This is the residual gas formation. Once the residual gas is formed, it seldom moves again from the pore space. Residual gas formation needs neither cap-rock nor structural trap, thus has a potential to be applied to broader regions. The purpose of this study is to examine the fundamental mechanism of residual gas formation and gas migration underground by injecting the gas into a modeled and visualized aquifer. We designed and constructed an experimental apparatus to measure the distribution and the saturation of the residual gas. We used glass beads of 1 or 2mm diameters as porous media to construct some reservoir models that have various porosity, permeability, and wettability. The glass beads packed in our apparatus which has 30cm width, 33.5cm height, and 1cm thickness. It has 1§¤volume in amount. The pore space was filled with viscous liquid, then air was injected from the bottom. Some conditions in the injection time and rate were tested. We observed air behavior and measured the volume of the distribution area of residual gas from its digital photographs, and the volume of residual gas from the amount of water that was pushed out from the apparatus. The experimental results showed that differences of reservoir properties made changes in the gas behavior and residual gas volume. It

  7. Graphic Three-Axes Presentation of Residual Gas Analyser Data

    Science.gov (United States)

    Johnson, Kenneth R.; Levi, Alejandro G.

    1996-01-01

    Residual gas analyzers (RGA) are commonly used to measure the composition of residual gases in thermal-vacuum test chambers. Measurements from RGAs are often used to identify and quantify outgassing contaminants from a test article during thermal-vacuum testing. RGA data is typically displayed as snapshots in time, showing instantaneous concentrations of ions from ionized residual gas molecules at different atomic masses. A method was devised by the authors to present RGA data in a three-axis format, plotting atomic mass unit (AMU), ion concentration as a function of AMU, and time, to provide a clear graphic visualization ot trends in gas concentration changes and to initiate a valuable analytical tool to interpret test article outgassing rates during thermal-vacuum testing.

  8. Evaluation of chlorine dioxide gas residues on selected food produce.

    Science.gov (United States)

    Trinetta, Valentina; Vaidya, Nirupama; Linton, Richard; Morgan, Mark

    2011-01-01

    In recent years, the consumption of fresh fruits and vegetables has greatly increased, and so has its association with contamination of several foodborne pathogens (Listeria, Salmonella, and Escherichia coli). Hence, there is a need to investigate effective sanitizer systems for produce decontamination. Chlorine dioxide (ClO(2)), a strong oxidizing gas with broad spectrum and sanitizing properties, has previously been studied for use on selected fruits and vegetables. ClO(2) gas treatments show great potential for surface pathogen reduction; however its use from a residue safety standpoint has yet to be assessed. Thus, the objective of this study was to evaluate residues of ClO(2), chlorite, chlorate, and chloride on selected fresh produce surfaces after treatment with ClO(2) gas. A rinse procedure was used and water samples were analyzed by N, N-diethyl-p-phenylenediamine and ion chromatography method (300.0). Seven different foods--tomatoes, oranges, apples, strawberries, lettuce, alfalfa sprouts, and cantaloupe--were analyzed after ClO(2) treatment for surface residues. Very low residues were detectable for all the food products except lettuce and alfalfa sprouts, where the measured concentrations were significantly higher. Chlorine dioxide technology leaves minimal to no detectable chemical residues in several food products, thus result in no significant risks to consumers. Practical Application: Potential for chlorine dioxide gas treatments as an effective pathogen inactivation technology to produce with minimal risk for consumers.

  9. Residue management in the Bolivia-Brazil gas pipeline construction

    International Nuclear Information System (INIS)

    Freitas, Eduardo Lopes; Henrique, Paulo Roberto Pereira; Cantarino, Anderson Americo Alves

    2000-01-01

    The construction of the gas pipeline is a process sequential of assembly phases, where each one of those phases generates residues of the most varied types and amounts, being necessary the forecast of your generation in agreement with the activity that is being executed. During the accomplishment of the works they are generated a lot of times situations where are observed the inadequate disposition of the residues. Those practices, besides the environmental impact that they cause, it can cart in the future, the need of additional investments be proceeded in the recovery of the areas and removal of the residues. This work presents the Program of administration of Residues instituted during the construction of the pipeline Bolivia - Brazil, seeking, on a side to reduce to the minimum the generation of residues and of the other, moths handling guidelines and disposition, in way to minimize the environmental impacts caused by the same ones. (author)

  10. CO2 storage in depleted gas reservoirs: A study on the effect of residual gas saturation

    Directory of Open Access Journals (Sweden)

    Arshad Raza

    2018-03-01

    Full Text Available Depleted gas reservoirs are recognized as the most promising candidate for carbon dioxide storage. Primary gas production followed by injection of carbon dioxide after depletion is the strategy adopted for secondary gas recovery and storage practices. This strategy, however, depends on the injection strategy, reservoir characteristics and operational parameters. There have been many studies to-date discussing critical factors influencing the storage performance in depleted gas reservoirs while little attention was given to the effect of residual gas. In this paper, an attempt was made to highlight the importance of residual gas on the capacity, injectivity, reservoir pressurization, and trapping mechanisms of storage sites through the use of numerical simulation. The results obtained indicated that the storage performance is proportionally linked to the amount of residual gas in the medium and reservoirs with low residual fluids are a better choice for storage purposes. Therefore, it would be wise to perform the secondary recovery before storage in order to have the least amount of residual gas in the medium. Although the results of this study are useful to screen depleted gas reservoirs for the storage purpose, more studies are required to confirm the finding presented in this paper.

  11. Fuel gas production from animal residue. Dynatech report No. 1551

    Energy Technology Data Exchange (ETDEWEB)

    Ashare, E.; Wise, D.L.; Wentworth, R.L.

    1977-01-14

    A comprehensive mathematical model description of anaerobic digestion of animal residues was developed, taking into account material and energy balances, kinetics, and economics of the process. The model has the flexibility to be applicable to residues from any size or type of animal husbandry operation. A computer program was written for this model and includes a routine for optimization to minimum unit gas cost, with the optimization variables being digester temperature, retention time, and influent volatile solids concentration. The computer program was used to determine the optimum base-line process conditions and economics for fuel gas production via anaerobic digestion of residues from a 10,000 head environmental beef feedlot. This feedlot at the conditions for minimum unit gas cost will produce 300 MCF/day of methane at a cost of $5.17/MCF (CH/sub 4/), with a total capital requirement of $1,165,000, a total capital investment of $694,000, and an annual average net operating cost of $370,000. The major contributions to this unit gas cost are due to labor (37 percent), raw manure (11 percent), power for gas compression (10 percent), and digester cost (13 percent). A conceptual design of an anaerobic digestion process for the baseline conditions is presented. A sensitivity analysis of the unit gas cost to changes in the major contributions to unit gas cost was performed, and the results of this analysis indicate areas in the anaerobic digestion system design where reasonable improvements could be expected so as to produce gas at an economically feasible cost. This sensitivity analysis includes the effects on unit gas cost of feedlot size and type, digester type, digester operating conditions, and economic input data.

  12. Fuel gas production from animal and agricultural residues and biomass

    Energy Technology Data Exchange (ETDEWEB)

    Wise, D. L; Wentworth, R. L

    1978-05-30

    Progress was reported by all contractors. Topics presented include: solid waste to methane gas; pipeline fuel gas from an environmental cattle feed lot; heat treatment of organics for increasing anaerobic biodegradability; promoting faster anaerobic digestion; permselective membrane control of algae and wood digesters for increased production and chemicals recovery; anaerobic fermentation of agricultural residues; pilot plant demonstration of an anaerobic, fixed-film bioreactor for wastewater treatment; enhancement of methane production in the anaerobic diegestion of sewage; evaluation of agitation concepts for biogasification of sewage sludge; operation of a 50,000 gallon anaerobic digester; biological conversion of biomass to methane; dirt feedlot residue experiments; anaerobic fermentation of livestock and crop residues; current research on methanogenesis in Europe; and summary of EPA programs in digestion technology. (DC)

  13. Graphic Three-Axes Presentation of Residual Gas Analyzer Data

    Science.gov (United States)

    Johnson, Kenneth R.; Levi, Alejandro G.

    1997-01-01

    Residual gas analyzers (RGA) are commonly used to measure the composition of residual gases in thermal-vacuum test chambers. Measurements from RGA's are often used to identify and quantify outgassing contaminants from a test article during thermal-vacuum testing. RGA data is typically displayed as snapshots in time, showing instantaneous concentrations of ions from ionized residual gas molecules at different atomic masses. This ion concentration information can be interpreted to be representative of the composition of the residual gas in the chamber at the instant of analysis. Typically, test personnel are most interested in tracking the time history of changes in the composition of chamber residual gas to determine the relative cleanliness and the clean-up rate of the test article under vacuum. However, displays of instantaneous RGA data cannot provide test personnel with the preferred time history information. In order to gain an understanding of gas composition trends, a series of plots of individual data snapshots must be analyzed. This analysis is cumbersome and still does not provide a very satisfactory view of residual gas composition trends. A method was devised by the authors to present RCA data in a three-axis format, plotting Atomic Mass Unit (AMU), the Ionization Signal Response (ISR) as amps/torr as a function of AMU, and Time, to provide a clear graphic visualization of trends of changes in ISR with respect to time and AMU (representative of residual gas composition). This graphic visualization method provides a valuable analytical tool to interpret test article outgassing rates during thermal vacuum tests. Raw RGA data was extracted from a series of delimited ASCII files and then converted to a data array in a spreadsheet. Consequently, using the 3-D plotting functionality provided by the spreadsheet program, 3-D plots were produced. After devising the data format conversion process, the authors began developing a program to provide real-time 3-D

  14. Chloroxyanion Residue Quantification in Cantaloupes Treated with Chlorine Dioxide Gas.

    Science.gov (United States)

    Kaur, Simran; Smith, David J; Morgan, Mark T

    2015-09-01

    Previous studies show that treatment of cantaloupes with chlorine dioxide (ClO2) gas at 5 mg/liter for 10 min results in a significant reduction (P chlorine dioxide ((36)ClO2) gas was used to describe the identity and distribution of chloroxyanion residues in or on cantaloupe subsequent to fumigation with ClO2 gas at a mean concentration of 5.1 ± 0.7 mg/liter for 10 min. Each treated cantaloupe was separated into rind, flesh, and mixed (rind and flesh) sections, which were blended and centrifuged to give the corresponding sera fractions. Radioactivity detected, ratio of radioactivity to mass of chlorite in initial ClO2 gas generation reaction, and distribution of chloroxyanions in serum samples were used to calculate residue concentrations in flesh, rind, and mixed samples. Anions detected on the cantaloupe were Cl(-) (∼ 90%) and ClO3(-) (∼ 10%), located primarily in the rind (19.3 ± 8.0 μg of Cl(-)/g of rind and 4.8 ± 2.3 μg of ClO3(-)/g of rind, n = 6). Cantaloupe flesh (∼ 200 g) directly exposed to(36)ClO2 gas treatment showed the presence of only Cl(-) residues (8.1 ± 1.0 μg of Cl(-)/g of flesh, n = 3). Results indicate chloroxyanion residues Cl(-) and ClO3(-) are only present on the rind of whole cantaloupes treated with ClO2 gas. However during cutting, residues may be transferred to the fruit flesh. Because Cl(-) is not toxic, only ClO3(-) would be a toxicity concern, but the levels transferred from rind to flesh are very low. In the case of fruit flesh directly exposed to ClO2 gas, only nontoxic Cl(-) was detected. This indicates that ClO2 gas that comes into contact with edible flesh would not pose a health concern.

  15. Minimizing Residual Pressure within a Windowless Gas Target System - JENSA

    Science.gov (United States)

    Gomez, Orlando; Browne, Justin; Kontos, Antonios; Montes, Fernando; Jensa Collaboration

    2015-04-01

    Nuclear reactions between light gases and radioactive isotope beams are essential to address open questions in nuclear structure and astrophysics. Pure light gas targets are critical for the measurements of proton- and alpha-induced reactions. J _ et E _ xperiments in N _ uclear S _ tructure and A _ strophysics (JENSA) is the world's most dense (~ 1019 atoms/cm2) windowless gas target system. Most of the gas flow is localized; however, escaping gas creates a pressure gradient which degrades experimental measurements and contaminates the beam line. JENSA contains a differential pumping system to maintain a vacuum. The previous design configuration was not optimized for experiments (pressure measurements 70 cm downstream from the jet were ~ 10-3 torr; optimal is less than 10-4 torr). We have altered the current differential pumping system to minimize the residual pressure profile. Several configurations of two gas-receiving catchers were tested, and the most efficient ones identified using Enhanced Pirani and Cold Cathode gauges. We have determined the 30 mm outer and 20 mm inner gas-receiving cones minimize JENSA central chamber pressure to 200 millitorr at 16,000 torr of discharge pressure. Altering the tubing configuration has additionally lowered the pressure 70 cm downstream to 10-5 torr. The new residual pressure allows operation of JENSA with planned expansion of a recoil mass separator SECAR.

  16. Residual Gas Fluorescence for Profile Measurements at the GSI UNILAC

    CERN Document Server

    Forck, P

    2002-01-01

    The high beam currents, delivered at the LINAC at GSI (UNILAC) can destroy intercepting diagnostics within one macro-pulse. As an alternative for a non-destructive profile measurement the methode for residual-gas-fluorescence is investigated. The fluorescence light is emitted by the N2 molecules of the residual gas at the blue wavelength range and can be monitored with a modern CCD-camera. The images are transferred via digital bus (IEEE 1394 'FireWire') and the profiles are generated by analysis of the images with a modern software tool (National Instruments 'LabView'). Due to the short beam pulses (about 0.2 ms) the light intensities emitted by the residual gas are low and require a high amplification (gain >106) which is realized with an image intensifier with double MCP (multi channel plate), connected with a fiber taper to the CCD-chip. The design parameters of the optics and electronics are discussed as well as the advantages of the digital data transmission. Measurements with heavy ion beams of several...

  17. Exploiting the Undesired: Beam-Gas Interactions in the LHC

    CERN Document Server

    Versaci, R; Baglin, V; Mereghetti, A

    2012-01-01

    The vacuum inside the LHC pipes has a key role in correct operation of the accelerator. The interaction of the beam with residual gas in the pipes can lead to the loss of the beam itself and damage accelerator components. Nevertheless, beam-gas interactions can be exploited to indirectly measure the gas pressure inside the beam pipe, detecting the secondaries produced. The showers generated are detected by Beam Loss Monitors, whose signals depend on the gas pressure. This technique would also allow to punctually measure the gas pressure in sections of the accelerator where vacuum gauges are not frequent, such as the arcs. The problem has been addressed by means of FLUKA simulations and the results have been benchmarked with direct measurements performed in the LHC in 2011.

  18. Novel feature for catalytic protein residues reflecting interactions with other residues.

    Directory of Open Access Journals (Sweden)

    Yizhou Li

    Full Text Available Owing to their potential for systematic analysis, complex networks have been widely used in proteomics. Representing a protein structure as a topology network provides novel insight into understanding protein folding mechanisms, stability and function. Here, we develop a new feature to reveal correlations between residues using a protein structure network. In an original attempt to quantify the effects of several key residues on catalytic residues, a power function was used to model interactions between residues. The results indicate that focusing on a few residues is a feasible approach to identifying catalytic residues. The spatial environment surrounding a catalytic residue was analyzed in a layered manner. We present evidence that correlation between residues is related to their distance apart most environmental parameters of the outer layer make a smaller contribution to prediction and ii catalytic residues tend to be located near key positions in enzyme folds. Feature analysis revealed satisfactory performance for our features, which were combined with several conventional features in a prediction model for catalytic residues using a comprehensive data set from the Catalytic Site Atlas. Values of 88.6 for sensitivity and 88.4 for specificity were obtained by 10-fold cross-validation. These results suggest that these features reveal the mutual dependence of residues and are promising for further study of structure-function relationship.

  19. Residual stresses evaluation in a gas-pipeline crossing

    Energy Technology Data Exchange (ETDEWEB)

    Fonseca, Maria Cindra [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil); Almeida, Manoel Messias [COMPAGAS, Curitiba, PR (Brazil); Rebello, Joao Marcos Alcoforado [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil); Souza Filho, Byron Goncalves de [PETROBRAS, Rio de Janeiro, RJ (Brazil)

    2009-07-01

    The X-rays diffraction technique is a well established and effectiveness method in the determination of the residual and applied stresses in fine grained crystalline materials. It allows to characterize and to quantify the magnitude and direction of the existing surface stresses in the studied point of the material. The objective of this work is the evaluation of the surface stresses in a 10 in diameter Natural Gas Distribution Pipeline manufactured from API 5 L Gr B steel of COMPAGAS company, in a crossing with a Natural Gas Transportation Pipeline, in Araucaria-PR. This kind of evaluation is important to establish weather you have to perform a repositioning of one of the pipeline or not. The measurements had been made in two transversal sections of the pipe, the one upstream (170 mm of the external wall of the pipeline) and another one downstream (840 mm of the external wall of the pipeline). Each transversal section measurements where carried out in 3 points: 9 hours, 12 hours and 3 hours. In each measured point of the pipe surface, the longitudinal and transversal stresses had been measured. The magnitude of the surface residual stresses in the pipe varied of +180 MPa at the -210 MPa. The residual stress state on the surface of the points 12 hours region is characterized by tensile stresses and by compressive stresses in the points of 3 and 9 hours region. The surface residual stresses in gas-pipeline have been measured using X-ray diffraction method, by double exposure technique, using a portable apparatus, with Cr-K-alpha radiation. (author)

  20. Residual entropy and waterlike anomalies in the repulsive one dimensional lattice gas

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Fernando Barbosa V. da [Instituto de Física, Universidade de Brasília, Brasília-DF (Brazil); Instituto Federal de Brasília, Campus São Sebastião, São Sebastião-DF (Brazil); Oliveira, Fernando Albuquerque, E-mail: fao@fis.unb.br [Instituto de Física, Universidade de Brasília, Brasília-DF (Brazil); Barbosa, Marco Aurélio A., E-mail: aureliobarbosa@gmail.com [Programa de Pós-Graduação em Ciência de Materiais, Faculdade UnB Planaltina, Universidade de Brasília, Planaltina-DF (Brazil)

    2015-04-14

    The thermodynamics and kinetics of the one dimensional lattice gas with repulsive interaction are investigated using transfer matrix technique and Monte Carlo simulations. This simple model is shown to exhibit waterlike anomalies in density, thermal expansion coefficient, and self-diffusion. An unified description for the thermodynamic anomalies in this model is achieved based on the ground state residual entropy which appears in the model due to mixing entropy in a ground state phase transition.

  1. Identification of mannose interacting residues using local composition.

    Directory of Open Access Journals (Sweden)

    Sandhya Agarwal

    Full Text Available BACKGROUND: Mannose binding proteins (MBPs play a vital role in several biological functions such as defense mechanisms. These proteins bind to mannose on the surface of a wide range of pathogens and help in eliminating these pathogens from our body. Thus, it is important to identify mannose interacting residues (MIRs in order to understand mechanism of recognition of pathogens by MBPs. RESULTS: This paper describes modules developed for predicting MIRs in a protein. Support vector machine (SVM based models have been developed on 120 mannose binding protein chains, where no two chains have more than 25% sequence similarity. SVM models were developed on two types of datasets: 1 main dataset consists of 1029 mannose interacting and 1029 non-interacting residues, 2 realistic dataset consists of 1029 mannose interacting and 10320 non-interacting residues. In this study, firstly, we developed standard modules using binary and PSSM profile of patterns and got maximum MCC around 0.32. Secondly, we developed SVM modules using composition profile of patterns and achieved maximum MCC around 0.74 with accuracy 86.64% on main dataset. Thirdly, we developed a model on a realistic dataset and achieved maximum MCC of 0.62 with accuracy 93.08%. Based on this study, a standalone program and web server have been developed for predicting mannose interacting residues in proteins (http://www.imtech.res.in/raghava/premier/. CONCLUSIONS: Compositional analysis of mannose interacting and non-interacting residues shows that certain types of residues are preferred in mannose interaction. It was also observed that residues around mannose interacting residues have a preference for certain types of residues. Composition of patterns/peptide/segment has been used for predicting MIRs and achieved reasonable high accuracy. It is possible that this novel strategy may be effective to predict other types of interacting residues. This study will be useful in annotating the function

  2. Monitoring volatilization products using Residual Gas Analyzers during MeV ion beam irradiations

    Science.gov (United States)

    Wetteland, C. J.; Kriewaldt, K.; Taylor, L. A.; McSween, H. Y.; Sickafus, K. E.

    2018-03-01

    The use of Residual Gas Analyzers (RGAs) during irradiation experiments can provide valuable information when incorporated into experimental end-stations. The instruments can track the volatilization products of beam-sensitive materials, which may ultimately aid researchers in selecting appropriate flux values for conducting experiments. Furthermore, the type of gaseous species released during an irradiation can be monitored directly, which may lead to new insights into the radiolysis and/or heating mechanisms responsible for gas evolution. A survey of several classes of materials exposed to extremes in particle flux is presented to show how RGA instrumentation can be incorporated to qualitatively assess ion-solid interactions in a variety of fields.

  3. Controlling residual hydrogen gas in mass spectra during pulsed laser atom probe tomography.

    Science.gov (United States)

    Kolli, R Prakash

    2017-01-01

    Residual hydrogen (H 2 ) gas in the analysis chamber of an atom probe instrument limits the ability to measure H concentration in metals and alloys. Measuring H concentration would permit quantification of important physical phenomena, such as hydrogen embrittlement, corrosion, hydrogen trapping, and grain boundary segregation. Increased insight into the behavior of residual H 2 gas on the specimen tip surface in atom probe instruments could help reduce these limitations. The influence of user-selected experimental parameters on the field adsorption and desorption of residual H 2 gas on nominally pure copper (Cu) was studied during ultraviolet pulsed laser atom probe tomography. The results indicate that the total residual hydrogen concentration, H TOT , in the mass spectra exhibits a generally decreasing trend with increasing laser pulse energy and increasing laser pulse frequency. Second-order interaction effects are also important. The pulse energy has the greatest influence on the quantity H TOT , which is consistently less than 0.1 at.% at a value of 80 pJ.

  4. Determination of gas residues in uranium dioxide pellets

    International Nuclear Information System (INIS)

    Riella, H.G.

    1978-01-01

    The measurement of low amounts of residual gases, excluding water, in ceramic grade uranium dioxide pellets, using high temperature vacuum extraction technique, is dealt with. The high temperature extraction gas analysis apparatus was designed and assembled for sequential analysis of up to eight uranium dioxide pellets by run. The system consists of three major units, namely outgassing unit, transfer unit and analytical unit. The whole system is evacuated to a final pressure of less then 10 -5 torr. A weighed pellet is transfered into the outgassing unit for subsequent dropping into a Platinum-Rhodium crucible which is heated inductively up to 1600 0 C during 30 minutes. The released gases are imediately transfered from the outgassing to analytical unit passing through a cold trap at -95 0 C to remove water vapor. The gases are transfered to previously calibrated volumetric bulb where the total pressure and temperature are determined. An estimate of the gas content in the pellets at STP condition is obtained from the measured volume, pressure and temperature of the gas mixture by applying ideal gases equation. Analysis to two lots (fourteen samples) of uranium dioxide pellets by the method described here indicated a mean gas content of 0,060cm 3 /g UO 2 . The lower limit of this technique is 0,03cm 3 /g UO 2 (STP). The time required for the analysis of eight pellets is about 9 hours [pt

  5. Study of Residual Gas Analyser (RGA) Response towards Known Leaks

    International Nuclear Information System (INIS)

    Pathan, Firozkhan S; Khan, Ziauddin; Semwal, Pratibha; George, Siju; Raval, Dilip C; Thankey, Prashant L; Manthena, Himabindu; Yuvakiran, Paravastu; Dhanani, Kalpesh R

    2012-01-01

    Helium leak testing is the most versatile form of weld qualification test for any vacuum application. Almost every ultra-high vacuum (UHV) system utilizes this technique for insuring leak tightness for the weld joints as well as demountable joints. During UHV system under operational condition with many other integrated components, in-situ developed leaks identification becomes one of the prime aspect for maintaining the health of such system and for continuing the experiments onwards. Since online utilization of leak detector (LD) has many practical limitations, residual gas analyser (RGA) can be used as a potential instrument for online leak detection. For this purpose, a co-relation for a given leak rate between Leak Detector and RGA is experimentally established. This paper describes the experimental aspect and the relationship between leak detector and RGA.

  6. RESIDUAL-GAS-IONIZATION BEAM PROFILE MONITORS IN RHIC.

    Energy Technology Data Exchange (ETDEWEB)

    CONNOLLY, R.; MICHNOFF, R.; TEPIKIAN, S.

    2005-05-16

    Four ionization profile monitors (IPMs) in RHIC measure vertical and horizontal beam profiles in the two rings by measuring the distribution of electrons produced by beam ionization of residual gas. During the last three years both the collection accuracy and signal/noise ratio have been improved. An electron source is mounted across the beam pipe from the collector to monitor microchannel plate (MCP) aging and the signal electrons are gated to reduce MCP aging and to allow charge replenishment between single-turn measurements. Software changes permit simultaneous measurements of any number of individual bunches in the ring. This has been used to measure emittance growth rates on six bunches of varying intensities in a single store. Also the software supports FFT analysis of turn-by-turn profiles of a single bunch at injection to detect dipole and quadrupole oscillations.

  7. The emission of fluorine gas during incineration of fluoroborate residue

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Yuheng, E-mail: fengyh@tongji.edu.cn [Thermal & Environmental Engineering Institute, Tongji University, Shanghai 200092 (China); Jiang, Xuguang [State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027 (China); Chen, Dezhen [Thermal & Environmental Engineering Institute, Tongji University, Shanghai 200092 (China)

    2016-05-05

    Highlights: • Gaseous fluorine products were identified when combusting fluoroborate residue. • BF{sub 3} and SiF{sub 4} tend to be hydrolyzed into HF with the increase of temperature. • The emission of BF{sub 3} and SiF{sub 4} from the chamber could be negligible at 1100 °C. - Abstract: The emission behaviors of wastes from fluorine chemical industry during incineration have raised concerns because multiple fluorine products might danger human health. In this study, fluorine emission from a two-stage incineration system during the combustion of fluoroborate residue was examined. In a TG-FTIR analysis BF{sub 3}, SiF{sub 4} and HF were identified as the initial fluorine forms to be released, while fluorine gases of greenhouse effect such as CF{sub 4} and SF{sub 6} were not found. Below 700 °C, NaBF{sub 4} in the sample decomposed to generate BF{sub 3}. Then part of BF{sub 3} reacted with SiO{sub 2} in the system to form SiF{sub 4} or hydrolyzed to HF. At higher temperatures, the NaF left in the sample was gradually hydrolyzed to form HF. A lab-scale two-stage tube furnace is established to simulate the typical two-stage combustion chamber in China. Experimental tests proved that HF was the only fluorine gas in the flue gas, and emissions of BF{sub 3} and SiF{sub 4} can be negligible. Thermodynamic equilibrium model predicted that all SiF{sub 4} would be hydrolyzed at 1100 °C in the secondary-chamber, which agreed well with the experimental results.

  8. Bioinformatic prediction and in vivo validation of residue-residue interactions in human proteins

    Science.gov (United States)

    Jordan, Daniel; Davis, Erica; Katsanis, Nicholas; Sunyaev, Shamil

    2014-03-01

    Identifying residue-residue interactions in protein molecules is important for understanding both protein structure and function in the context of evolutionary dynamics and medical genetics. Such interactions can be difficult to predict using existing empirical or physical potentials, especially when residues are far from each other in sequence space. Using a multiple sequence alignment of 46 diverse vertebrate species we explore the space of allowed sequences for orthologous protein families. Amino acid changes that are known to damage protein function allow us to identify specific changes that are likely to have interacting partners. We fit the parameters of the continuous-time Markov process used in the alignment to conclude that these interactions are primarily pairwise, rather than higher order. Candidates for sites under pairwise epistasis are predicted, which can then be tested by experiment. We report the results of an initial round of in vivo experiments in a zebrafish model that verify the presence of multiple pairwise interactions predicted by our model. These experimentally validated interactions are novel, distant in sequence, and are not readily explained by known biochemical or biophysical features.

  9. Interaction of 18-residue peptides derived from amphipathic helical ...

    Indian Academy of Sciences (India)

    We investigated the interaction of six 18-residue peptides derived from amphipathic helical segments of globular proteins with model membranes. The net charge of the peptides at neutral pH varies from –1 to +6. Circular dichroism spectra indicate that peptides with a high net positive charge tend to fold into a helical ...

  10. Interplay between symmetries and residual interactions in rotating nuclei

    International Nuclear Information System (INIS)

    Cwiok, S.; Kvasil, J.; Nazmitdinov, R.G.

    1990-01-01

    Using the space rotation and translation invariance of the nuclear Hamiltonian, the residual interactions for a rotating nucleus are constructed. The connection is found between the Goldstone modes of motion (spurious states) and the symmetries of equations of motion in Random Phase Approximation for states near the yrast line. (author). 18 figs

  11. Evaluation of residue management practices effects on corn productivity, soil quality, and greenhouse gas emissions

    Science.gov (United States)

    Guzman, Jose German

    The removal of crop residues left after harvest is being considered as a potential feedstock source for bioethanol production which can contribute to the reduction of fossil fuel use and net greenhouse gas (GHG). The objectives of this study were to: (i) examine how tillage, N fertilization rates, residue removal, and their interactions affect crop productivity, (ii) SOC and soil physical properties, and (iii) GHG emissions, and (iv) calculated a soil C budget to determine how much crop residue can be sustainably be removed in Central and Southwest Iowa. After three years of residue removal under different management practices, the findings of this study suggest that a portion of the corn residue that is left on the soil surface after harvest can be removed, with no negative impacts in the short term continuous corn yield in sites at Central and Southwest Iowa. However, significant decreases in SOC sequestration rates, microbial biomass-C, bulk density, soil penetration resistance, wet aggregate stability, and infiltration rates were observed, but varied with soil type and management practices. Additionally, soil surface CO2 and N2O emissions were responsive to management practices; primarily by altering soil temperature, soil water content, soil mineral N, and crop growth. Results from soil C budget show that in 2010 when corn growth was not water stressed (lack of moisture), approximately 35 and 30% of the residue could be sustainably removed in the Central and Southwest sites, respectively. In 2011, drier soil conditions resulted in approximately 2 and 49% of the residue could be sustainably removed in the Central and Southwest sites, respectively.

  12. Computational learning on specificity-determining residue-nucleotide interactions

    KAUST Repository

    Wong, Ka-Chun

    2015-11-02

    The protein–DNA interactions between transcription factors and transcription factor binding sites are essential activities in gene regulation. To decipher the binding codes, it is a long-standing challenge to understand the binding mechanism across different transcription factor DNA binding families. Past computational learning studies usually focus on learning and predicting the DNA binding residues on protein side. Taking into account both sides (protein and DNA), we propose and describe a computational study for learning the specificity-determining residue-nucleotide interactions of different known DNA-binding domain families. The proposed learning models are compared to state-of-the-art models comprehensively, demonstrating its competitive learning performance. In addition, we describe and propose two applications which demonstrate how the learnt models can provide meaningful insights into protein–DNA interactions across different DNA binding families.

  13. Chloroxyanion residues in cantaloupe and tomatoes after chlorine dioxide gas sanitation

    Science.gov (United States)

    Chlorine dioxide gas is effective at cleansing fruits and vegetables of bacterial pathogens and(or) rot organisms, but few data are available on chemical residues remaining subsequent to chlorine gas treatment. Therefore, studies were conducted to quantify chlorate and perchlorate residues after tom...

  14. Identification of residue pairing in interacting β-strands from a predicted residue contact map.

    Science.gov (United States)

    Mao, Wenzhi; Wang, Tong; Zhang, Wenxuan; Gong, Haipeng

    2018-04-19

    Despite the rapid progress of protein residue contact prediction, predicted residue contact maps frequently contain many errors. However, information of residue pairing in β strands could be extracted from a noisy contact map, due to the presence of characteristic contact patterns in β-β interactions. This information may benefit the tertiary structure prediction of mainly β proteins. In this work, we propose a novel ridge-detection-based β-β contact predictor to identify residue pairing in β strands from any predicted residue contact map. Our algorithm RDb 2 C adopts ridge detection, a well-developed technique in computer image processing, to capture consecutive residue contacts, and then utilizes a novel multi-stage random forest framework to integrate the ridge information and additional features for prediction. Starting from the predicted contact map of CCMpred, RDb 2 C remarkably outperforms all state-of-the-art methods on two conventional test sets of β proteins (BetaSheet916 and BetaSheet1452), and achieves F1-scores of ~ 62% and ~ 76% at the residue level and strand level, respectively. Taking the prediction of the more advanced RaptorX-Contact as input, RDb 2 C achieves impressively higher performance, with F1-scores reaching ~ 76% and ~ 86% at the residue level and strand level, respectively. In a test of structural modeling using the top 1 L predicted contacts as constraints, for 61 mainly β proteins, the average TM-score achieves 0.442 when using the raw RaptorX-Contact prediction, but increases to 0.506 when using the improved prediction by RDb 2 C. Our method can significantly improve the prediction of β-β contacts from any predicted residue contact maps. Prediction results of our algorithm could be directly applied to effectively facilitate the practical structure prediction of mainly β proteins. All source data and codes are available at http://166.111.152.91/Downloads.html or the GitHub address of https://github.com/wzmao/RDb2C .

  15. Universal relationship connecting various two-body effective residual interactions

    International Nuclear Information System (INIS)

    Knuepfer, W.; Huber, M.G.

    1976-01-01

    Starting from a momentum space analysis of the two-body matrix elements, a relation has been established between the size of the model space actually used in a specific calculation and the relevant properties of the effective residual interaction. It turns out that the two-body transition density acts like a filter function on the Fourier transform of the force; it exhibits a distinct structure which clearly reflects the size and the detailed properties of the configuration space actually used. From an investigation of this filter function an equivalence criterion for different effective residual two-body interactions has been established both for closed and open shell nuclei. This result can be used to construct simple although realistic effective forces. As an example, a model for a separable residual interaction is proposed in which the corresponding parameters are being clearly related to the nuclear radius (i.e., the mass number), to the quantum numbers (i.e., the angular momentum) of the state under consideration and to the size of the configuration space used. For a number of examples this force has been applied successfully for the description of low energy properties of both closed and open shell nuclei

  16. Injection, flow, and mixing of CO2 in porous media with residual gas.

    Energy Technology Data Exchange (ETDEWEB)

    Oldenburg, C.M.; Doughty, C.A.

    2010-09-01

    Geologic structures associated with depleted natural gas reservoirs are desirable targets for geologic carbon sequestration (GCS) as evidenced by numerous pilot and industrial-scale GCS projects in these environments world-wide. One feature of these GCS targets that may affect injection is the presence of residual CH{sub 4}. It is well known that CH{sub 4} drastically alters supercritical CO{sub 2} density and viscosity. Furthermore, residual gas of any kind affects the relative permeability of the liquid and gas phases, with relative permeability of the gas phase strongly dependent on the time-history of imbibition or drainage, i.e., dependent on hysteretic relative permeability. In this study, the effects of residual CH{sub 4} on supercritical CO{sub 2} injection were investigated by numerical simulation in an idealized one-dimensional system under three scenarios: (1) with no residual gas; (2) with residual supercritical CO{sub 2}; and (3) with residual CH{sub 4}. We further compare results of simulations that use non-hysteretic and hysteretic relative permeability functions. The primary effect of residual gas is to decrease injectivity by decreasing liquid-phase relative permeability. Secondary effects arise from injected gas effectively incorporating residual gas and thereby extending the mobile gas plume relative to cases with no residual gas. Third-order effects arise from gas mixing and associated compositional effects on density that effectively create a larger plume per unit mass. Non-hysteretic models of relative permeability can be used to approximate some parts of the behavior of the system, but fully hysteretic formulations are needed to accurately model the entire system.

  17. Origins of the residual pulse height deficit in propane-filled gas ionization detectors

    International Nuclear Information System (INIS)

    Weijers-Dall, T.D.M.; Timmers, H.; Elliman, R.G.

    2005-01-01

    This work investigates the origins of the residual pulse height deficit in gas ionization detectors. It is motivated by the recent observation that the species dependence of gas detector response cannot be accounted for solely by considering the energy loss of the ions in the detector window and non-ionizing energy loss processes in the detector gas. It was found that the residual pulse height deficit is approximately proportional to the square of the ionization density. However, only a weak dependence of the residual deficit on gas pressure (in the range 70-120mbar) was observed. It is hypothesized that the residual pulse height deficit in gas ionization detectors results from the effect of multiple ionization of individual gas molecules at high ionization densities on the energy required to create an electron-ion pair

  18. Simulation of Gas-Surface Dynamical Interactions

    Science.gov (United States)

    2007-07-01

    surface. The substrate with lattice constant a is represented in a simple ball and spring picture. on the particular problem. Time-independent...παvwell , (26) Simulation of Gas-Surface Dynamical Interactions 4 - 10 RTO-EN-AVT-142 g E ad v mvc ∆ v’well vc cM Figure 4

  19. Study of residual gas adsorption on GaN nanowire arrays photocathode

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Sihao; Liu, Lei, E-mail: liu1133_cn@sina.com.cn; Diao, Yu; Kong, Yike

    2017-05-01

    Highlights: • H{sub 2}O is more easily to absorb on the nanowire surface. • The work function increase after residual gas adsorption. • Bandgaps of the nanowire increase slightly. • Absorption coefficient is reduced and moves to higher energy side. - Abstract: In order to find out the influences of residual gas on GaN nanowire arrays photocathode, the optoelectronic properties of adsorption system are calculated on the basis of first principles. Results suggest that the residual gas adsorption will increase the work function and introduce a dipole moment with a direction from the nanowire to the adsorbates. The surface structures are changed and electrons transfer from nanowire to gas molecule. The bandgaps are enhanced after adsorption. Besides, the peak of absorption coefficients is reduced and moves to higher energy side. It is discovered that residual gas will drastically degrade the characteristics and lifetime of GaN nanowire arrays photocathode.

  20. Agrochemical residue-biota interactions in soil and aquatic ecosystems

    International Nuclear Information System (INIS)

    1980-01-01

    Two FAO/IAEA coordinated research programmes are concerned with isotopic tracer-aided studies of agrochemical residue-biota interactions in soils and aquatic ecosystems. They currently involve 18 studies in 14 countries: Brazil, Canada, Egypt, F.R. Germany, Hungary, India, Indonesia, Iraq, Israel, Malaysia, Thailand, Turkey, USA and USSR. The aim was to develop, standardize and apply labelled substrate techniques for comparative assays of primary autotrophic and microheterotrophic production and decay, and complementary tracer techniques to determine the fate, persistence and bioconcentration of trace contaminants. Comparable data were studied concerning the current status of water bodies and likely changes due to contaminants. Soil capacity to decompose undesirable contaminants and residues, and to promote desirable transformations were studied. The techniques were also applied as a diagnostic and prognostic tool, with priority given to rice ecosystems

  1. Employing Beam-Gas Interaction Vertices for Transverse Profile Measurements

    CERN Document Server

    Rihl, Mariana; Baglin, Vincent; Barschel, Colin; Bay, Aurelio; Blanc, Frederic; Bravin, Enrico; Bregliozzi, Giuseppe; Chritin, Nicolas; Dehning, Bernd; Ferro-Luzzi, Massimiliano; Gaspar, Clara; Gianì, Sebastiana; Giovannozzi, Massimo; Greim, Roman; Haefeli, Guido; Hopchev, Plamen; Jacobsson, Richard; Jensen, Lars; Jones, Owain Rhodri; Jurado, Nicolas; Kain, Verena; Karpinski, Waclaw; Kirn, Thomas; Kuhn, Maria; Luthi, Berengere; Magagnin, Paolo; Matev, Rosen; Nakada, Tatsuya; Neufeld, Niko; Panman, Jaap; Rakotomiaramanana, Barinjaka; Salustino Guimaraes, Valdir; Salvant, Benoit; Schael, Stefan; Schneider, Olivier; Schwering, Georg; Tobin, Mark; Veness, Raymond; Veyrat, Quentin; Vlachos, Sotiris; Wlochal, Michael; Xu, Zhirui; von Dratzig, Arndt

    2016-01-01

    Interactions of high-energy beam particles with residual gas offer a unique opportunity to measure the beam profile in a non-intrusive fashion. Such a method was successfully pioneered* at the LHCb experiment using a silicon microstrip vertex detector. During the recent Large Hadron Collider shutdown at CERN, a demonstrator Beam-Gas Vertexing system based on eight scintillating-fibre modules was designed**, constructed and installed on Ring 2 to be operated as a pure beam diagnostics device. The detector signals are read out and collected with LHCb-type front-end electronics and a DAQ system consisting of a CPU farm. Tracks and vertices will be reconstructed to obtain a beam profile in real time. Here, first commissioning results are reported. The advantages and potential for future applications of this technique are discussed.

  2. Improved Interaction Potentials for Charged Residues in Proteins

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2008-01-01

    -consistent, experimental set of hydration free energies for acetate (Asp), propionate (Glu), 4-methylimidazolium (Hip), n-butylammonium (Lys), and n-propylguanidinium (Arg), all resembling charged residue side chains, including -carbons. It is shown that OPLS-AA free energies depend critically on the type of water model......, TIP4P or TIP3P; i.e., each water model requires specific water-charged molecule interaction potentials. New models (models 1 and 3) are thus described for both water models. Uncertainties in relative free energies of charged residues are ~2 kcal/mol with the new parameters, due to variations in system...... setup (MAEs of ca. 1 kcal/mol) and noise from simulations (ca. 1 kcal/mol). The latter error of ~1 kcal/mol contrasts MAEs from standard OPLS-AA of up to 13 kcal/mol for the entire series of charged residues or up to 5 kcal/mol for the cationic series Lys, Arg, and Hip. The new parameters can be used...

  3. Gas composition of sludge residue profiles in a sludge treatment reed bed between loadings

    DEFF Research Database (Denmark)

    Larsen, Julie Dam; Nielsen, Steen M; Scheutz, Charlotte

    2017-01-01

    Treatment of sludge in sludge treatment reed bed systems includes dewatering and mineralization. The mineralization process, which is driven by microorganisms, produces different gas species as by-products. The pore space composition of the gas species provides useful information on the biological...... processes occurring in the sludge residue. In this study, we measured the change in composition of gas species in the pore space at different depth levels in vertical sludge residue profiles during a resting period of 32 days. The gas composition of the pore space in the sludge residue changed during...... the resting period. As the resting period proceeded, atmospheric air re-entered the pore space at all depth levels. The methane (CH4) concentration was at its highest during the first part of the resting period, and then declined as the sludge residue became more dewatered and thereby aerated. In the pore...

  4. NMR and Chemometric Characterization of Vacuum Residues and Vacuum Gas Oils from Crude Oils of Different Origin

    Directory of Open Access Journals (Sweden)

    Jelena Parlov Vuković

    2015-03-01

    Full Text Available NMR spectroscopy in combination with statistical methods was used to study vacuum residues and vacuum gas oils from 32 crude oils of different origin. Two chemometric metodes were applied. Firstly, principal component analysis on complete spectra was used to perform classification of samples and clear distinction between vacuum residues and vacuum light and heavy gas oils were obtained. To quantitatively predict the composition of asphaltenes, principal component regression models using areas of resonance signals spaned by 11 frequency bins of the 1H NMR spectra were build. The first 5 principal components accounted for more than 94 % of variations in the input data set and coefficient of determination for correlation between measured and predicted values was R2 = 0.7421. Although this value is not significant, it shows the underlying linear dependence in the data. Pseudo two-dimensional DOSY NMR experiments were used to assess the composition and structural properties of asphaltenes in a selected crude oil and its vacuum residue on the basis of their different hydrodynamic behavior and translational diffusion coefficients. DOSY spectra showed the presence of several asphaltene aggregates differing in size and interactions they formed. The obtained results have shown that NMR techniques in combination with chemometrics are very useful to analyze vacuum residues and vacuum gas oils. Furthermore, we expect that our ongoing investigation of asphaltenes from crude oils of different origin will elucidate in more details composition, structure and properties of these complex molecular systems.

  5. Chloroxyanion Residues in Cantaloupe and Tomatoes after Chlorine Dioxide Gas Sanitation.

    Science.gov (United States)

    Smith, D J; Ernst, W; Herges, G R

    2015-11-04

    Chlorine dioxide gas is effective at cleansing fruits and vegetables of bacterial pathogens and(or) rot organisms, but little data are available on chemical residues remaining subsequent to chlorine gas treatment. Therefore, studies were conducted to quantify chlorate and perchlorate residues after tomato and cantaloupe treatment with chlorine dioxide gas. Treatments delivered 50 mg of chlorine dioxide gas per kg of tomato (2-h treatment) and 100 mg of gas per kg of cantaloupe (6-h treatment) in sealed, darkened containers. Chlorate residues in tomato and cantaloupe edible flesh homogenates were less than the LC-MS/MS limit of quantitation (60 and 30 ng/g respectively), but were 1319 ± 247 ng/g in rind + edible flesh of cantaloupe. Perchlorate residues in all fractions of chlorine dioxide-treated tomatoes and cantaloupe were not different (P > 0.05) than perchlorate residues in similar fractions of untreated tomatoes and cantaloupe. Data from this study suggest that chlorine dioxide sanitation of edible vegetables and melons can be conducted without the formation of unwanted residues in edible fractions.

  6. Gas-phase salt bridge interactions between glutamic acid and arginine

    NARCIS (Netherlands)

    Jaeqx, S.; Oomens, J.; Rijs, A.M.

    2013-01-01

    The gas-phase side chain-side chain (SC-SC) interaction and possible proton transfer between glutamic acid (Glu) and arginine (Arg) residues are studied under low-temperature conditions in an overall neutral peptide. Conformation-specific IR spectra, obtained with the free electron laser FELIX, in

  7. Determination of organophosphorus pesticide residues in tomatoes by gas chromatography

    International Nuclear Information System (INIS)

    Souissi, Sihem

    2010-01-01

    Chloropyriphos and malathion are two organophosphorus pesticides from many others pesticides widely used by famers in agriculture .Because of their bad effect on human health, officials standards are set by the international organisations and communities to ensure safer food for consumer .In the same way, scientists over the world are working hard to develop new detection techniques responding to the international requirements. In this study, an ' IAEA-ethylacetate method ', an adaptation of the popular QuEChERS multi residue method, was optimized to analyse chloropyriphos and Malathion residues in tomatoes .Ethyl-Acetate was used as an extraction solvent the PSA was kept for the clean up procedure. GC-NPD is used for samples analysis .The method optimized is specifique, selective with a recovery averaged more than 70 pour cent. A complete validation of the method is necessary to be used for routine analysis.

  8. Direct gas-solid carbonation of serpentinite residues in the absence and presence of water vapor: a feasibility study for carbon dioxide sequestration.

    Science.gov (United States)

    Veetil, Sanoopkumar Puthiya; Pasquier, Louis-César; Blais, Jean-François; Cecchi, Emmanuelle; Kentish, Sandra; Mercier, Guy

    2015-09-01

    Mineral carbonation of serpentinite mining residue offers an environmentally secure and permanent storage of carbon dioxide. The strategy of using readily available mining residue for the direct treatment of flue gas could improve the energy demand and economics of CO2 sequestration by avoiding the mineral extraction and separate CO2 capture steps. The present is a laboratory scale study to assess the possibility of CO2 fixation in serpentinite mining residues via direct gas-solid reaction. The degree of carbonation is measured both in the absence and presence of water vapor in a batch reactor. The gas used is a simulated gas mixture reproducing an average cement flue gas CO2 composition of 18 vol.% CO2. The reaction parameters considered are temperature, total gas pressure, time, and concentration of water vapor. In the absence of water vapor, the gas-solid carbonation of serpentinite mining residues is negligible, but the residues removed CO2 from the feed gas possibly due to reversible adsorption. The presence of small amount of water vapor enhances the gas-solid carbonation, but the measured rates are too low for practical application. The maximum CO2 fixation obtained is 0.07 g CO2 when reacting 1 g of residue at 200 °C and 25 barg (pCO2 ≈ 4.7) in a gas mixture containing 18 vol.% CO2 and 10 vol.% water vapor in 1 h. The fixation is likely surface limited and restricted due to poor gas-solid interaction. It was identified that both the relative humidity and carbon dioxide-water vapor ratio have a role in CO2 fixation regardless of the percentage of water vapor.

  9. Residual lifetime assessment of uPVC gas pipes

    OpenAIRE

    Visser, HA

    2010-01-01

    The Dutch gas distribution network consists of about 20% (22,500 km) of unplasticised poly(vinyl chloride) (uPVC) pipes, most of which have been installed from the mid-sixties up to the mid-seventies of the previous century and have been in service ever since. Replacing the uPVC gas pipes exactly after the specified service lifetime of 50 years will lead to a costly and extremely labour intensive project in the next decade. Postponing the replacement is only an option when it can be done with...

  10. Gas-particle interactions in dense gas-fluidised beds

    NARCIS (Netherlands)

    Li, J.; Kuipers, J.A.M.

    2003-01-01

    The occurrence of heterogeneous flow structures in gas-particle flows seriously affects gas¿solid contacting and transport processes in dense gas-fluidized beds. A computational study, using a discrete particle method based on Molecular Dynamics techniques, has been carried out to explore the

  11. Prediction of residue-residue contact matrix for protein-protein interaction with Fisher score features and deep learning.

    Science.gov (United States)

    Du, Tianchuan; Liao, Li; Wu, Cathy H; Sun, Bilin

    2016-11-01

    Protein-protein interactions play essential roles in many biological processes. Acquiring knowledge of the residue-residue contact information of two interacting proteins is not only helpful in annotating functions for proteins, but also critical for structure-based drug design. The prediction of the protein residue-residue contact matrix of the interfacial regions is challenging. In this work, we introduced deep learning techniques (specifically, stacked autoencoders) to build deep neural network models to tackled the residue-residue contact prediction problem. In tandem with interaction profile Hidden Markov Models, which was used first to extract Fisher score features from protein sequences, stacked autoencoders were deployed to extract and learn hidden abstract features. The deep learning model showed significant improvement over the traditional machine learning model, Support Vector Machines (SVM), with the overall accuracy increased by 15% from 65.40% to 80.82%. We showed that the stacked autoencoders could extract novel features, which can be utilized by deep neural networks and other classifiers to enhance learning, out of the Fisher score features. It is further shown that deep neural networks have significant advantages over SVM in making use of the newly extracted features. Copyright © 2016. Published by Elsevier Inc.

  12. Characteristics of gas and residues produced from electric arc pyrolysis of waste lubricating oil.

    Science.gov (United States)

    Song, Geum-Ju; Seo, Yong-Chil; Pudasainee, Deepak; Kim, In-Tae

    2010-07-01

    An attempt has been made to recover high-calorific fuel gas and useful carbonaceous residue by the electric arc pyrolysis of waste lubricating oil. The characteristics of gas and residues produced from electric arc pyrolysis of waste lubricating oil were investigated in this study. The produced gas was mainly composed of hydrogen (35-40%), acetylene (13-20%), ethylene (3-4%) and other hydrocarbons, whereas the concentration of CO was very low. Calorific values of gas ranged from 11,000 to 13,000 kcal kg(-1) and the concentrations of toxic gases, such as NO(x), HCl and HF, were below the regulatory emissions limit. Gas chromatography-mass spectrometry (GC/MS) analysis of liquid-phase residues showed that high molecular-weight hydrocarbons in waste lubricating oil were pyrolyzed into low molecular-weight hydrocarbons and hydrogen. Dehydrogenation was found to be the main pyrolysis mechanism due to the high reaction temperature induced by electric arc. The average particle size of soot as carbonaceous residue was about 10 microm. The carbon content and heavy metals in soot were above 60% and below 0.01 ppm, respectively. The utilization of soot as industrial material resources such as carbon black seems to be feasible after refining and grinding. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

  13. Organomineral interactions as an important mechanism for stabilisation of bacterial residues in soil

    Science.gov (United States)

    Miltner, Anja; Achtenhagen, Jan; Kästner, Matthias

    2017-04-01

    Although plant material is the original input of organic matter to soils, microbial residues have been identified to contribute to a large extent to soil organic matter. However, until now it is unclear how microbial residues are stabilised in soil and protected from degradation. We hypothesised that organomineral interactions, in particular encrustation by oxides, may play an important role, which might vary depending on environmental conditions, e.g. redox potential. Therefore we produced 14C-labelled Escherichia coli cells and cell envelope fragments and coprecipitated these materials with Fe oxide or Al oxide. Mineral-free (control) and mineral-encrusted bacterial residues were incubated for 345 days at 20˚ C under either oxic or oxygen-limited conditions, and mineralisation was quantified by scintillation counting of the CO2 produced during incubation. Oxygen limitation was achieved by first exchanging the atmosphere in the incubation vessels with dinitrogen gas. After 100 days of incubation, the anoxic treatments were waterlogged to further decrease the redox potential, and after 290 days, glucose and nutrients were supplied to all treatments in order to foster microbial activity and consumption of electron acceptors. The mineralisation curves were fitted by double-exponential (0-100 days), first-order kinetic (100-290 days) and linear (290-345 days) models. The model parameters were tested for significant differences between the treatments by three-way ANOVA with post-hoc Bonferroni t-test. We found that encrustation by the oxides significantly reduced mineralisation of the bacterial residues. This effect was inversed by reductive dissolution of Fe oxides after substrate and nutrient addition to the oxygen-limited treatments, suggesting a significant role of the encrustation in stabilisation of the bacterial residues. We also observed that bacterial cell envelope fragments were generally slightly more resistant to mineralisation than whole cells. The

  14. Interaction of rare gas metastable atoms

    International Nuclear Information System (INIS)

    Wang, A.Z.F.

    1977-11-01

    The physical and chemical properties of metastable rare gas atoms are discussed and summarized. This is followed by a detailed examination of the various possible pathways whereby the metastable's excess electronic energy can be dissipated. The phenomenon of chemi-ionization is given special emphasis, and a theoretical treatment based on the use of complex (optical) potential is presented. This is followed by a discussion on the unique advantages offered by elastic differential cross section measurements in the apprehension of the fundamental forces governing the ionization process. The methodology generally adopted to extract information about the interaction potential for scattering data is also systematically outlined. Two widely studied chemi-ionization systems are then closely examined in the light of accurate differential cross section measurements obtained in this work. The first system is He(2 3 S) + Ar for which one can obtain an interaction potential which is in good harmony with the experimental results of other investigators. The validity of using the first-order semiclassical approximation for the phase shifts calculation in the presence of significant opacities is also discussed. The second reaction studied is He*+D 2 for which measurements were made on both spin states of the metastable helium. A self-consistent interaction potential is obtained for the triplet system, and reasons are given for not being able to do likewise for the singlet system. The anomalous hump proposed by a number of laboratories is analyzed. Total elastic and ionization cross sections as well as rate constants are calculated for the triplet case. Good agreement with experimental data is found. Finally, the construction and operation of a high power repetitively pulsed nitrogen laser pumped dye laser system is described in great details. Details for the construction and operation of a flashlamp pumped dye laser are likewise given

  15. Gas chromatographic determination of pesticide residues in white mustard.

    Science.gov (United States)

    Słowik-Borowiec, Magdalena; Szpyrka, Ewa; Walorczyk, Stanisław

    2015-04-15

    A new analytical method employing gas chromatography coupled to electron capture and nitrogen phosphorus detection (GC-ECD/NPD) has been developed and validated for the screening and quantification of 51 pesticides in a matrix of high chlorophyll content - white mustard (Sinapis alba L.). For preparation of the sample extract, the citrate buffered QuEChERS procedure was followed. However certain changes were made to adapt the method to our needs and available laboratory resources. The sample size was reduced to 5 g, 10 mL water was added and exchange of solvent before GC analysis was done. The samples spiked with the target pesticides at the concentration level 0.01 mg/kg and a higher level (depending on the compound) yielded average recoveries in the range of 70-120% with relative standard deviations (RSDs) 0-19% except for HCB, S-metolachlor and teflubenzuron, and displayed very good linearity (R(2)>0.99) for nearly all the analytes. Limit of quantification was 0.01 mg/kg for the majority of the analytes. The expanded measurement uncertainties were estimated employing a "top-down" empirical model as being between 6% and 32% and yielding an average value of 18% (coverage factor k=2, confidence level 95%). Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Validation of a methodology multi-residue for the determination of pesticides residuals in strawberry (fragraria spp.) by gas chromatography

    International Nuclear Information System (INIS)

    Montano Garces, Mauricio; Guerrero Dallos, Jairo Arturo

    2001-01-01

    This study describes the validation of multi-residue analytical methodology for the simultaneous determination of 19 organ chlorine, organophosphorus and organ nitrogen pesticides in strawberry. Pesticides residues were extracted from strawberry samples with ethyl acetate, the extracts were cleaned-up by GPC, the quantitative analysis was carried out by high resolution gas chromatography (GC) with a pulsed splitless injection mode and simultaneous detection by m-ECD and NPD coupled in parallel. The methodology is specific, selective, and accurate and robust the calibration curves in matrix matched analytical standards show linearity over the concentration range of 0.04-5.00 mg/kg with limits of detection and quantitation between 0.007-0.5 mg/kg and 0.01-1.00 mg/kg respectively. The recovery experiments yielding averages between 80-110% for most of the pesticides. The distribution of analyze in the laboratory sample was evaluated and it was found its homogeneity. The methodology was applied in field samples and was mainly found Captan residues below MRL

  17. Effect of flue gas desulfurization residue on plant establishment and soil and leachate quality

    Energy Technology Data Exchange (ETDEWEB)

    Punshon, T.; Adriano, D.C.; Weber, J.T. [University of Georgia, Savannah, GA (USA). Savannah River Ecology Lab.

    2001-06-01

    Effects on soil quality and crop establishment after incorporation of flue gas desulfurization by-product (FGD) into soil as an amendment was assessed in a mesocosm study. Mesocosm units received applications equivalent to 0, 2.5, 5.0, 7.5 and 10% FGD residue. Germination, biomass production, and elemental composition of corn, radish and cotton were determined. The quality of leachates and soil were also determined periodically. Flue gas desulfurization residue did not affect germination and all application rates stimulated aboveground biomass. Plants grown in FGD-amended soil contained significantly elevated tissue concentrations of As, B, Se, and Mo. The FGD residue elevated surface soil pH from 5.5 to 8.1. Leachate pH was unaffected by FGD, but salinity rose sharply with increasing application rates of FGD. Leachates contained higher concentrations of B, with small increases in Se and As. Flue gas desulfurization residue application caused an increase in total B, As, Mo, Se and extractable Ca in the soil, but decreased Mn and Zn. Using FGD residues could have beneficial effects on crop establishment without detrimental effects on soil or leachate quality, at an optimum rate of approximately 2.5%. This material could alleviate surface acidity, and B and Mo deficiencies in plants. 27 refs., 6 figs., 4 tabs.

  18. Analysis of residual swirl in tangentially-fired natural gas-boiler

    International Nuclear Information System (INIS)

    Hasril Hasini; Muhammad Azlan Muad; Mohd Zamri Yusoff; Norshah Hafeez Shuaib

    2010-01-01

    This paper describes the investigation on residual swirl flow in a 120 MW natural gas, full-scale, tangential-fired boiler. Emphasis is given towards the understanding of the behavior of the combustion gas flow pattern and temperature distribution as a result of the tangential firing system of the boiler. The analysis was carried out based on three-dimensional computational modeling on full scale boiler with validation from key design parameter as well as practical observation. Actual operating parameters of the actual boiler are taken as the boundary conditions for this modeling. The prediction of total heat flux was found to be in agreement with the key design parameter while the residual swirl predicted at the upper furnace agrees qualitatively with the practical observation. Based on this comparison, detail analysis was carried out for comprehensive understanding on the generation and destruction of the residual swirl behavior in boiler especially those with high capacity. (author)

  19. Thermodynamic Properties of a Trapped Interacting Bose Gas

    OpenAIRE

    Shi, Hualin; Zheng, Wei-Mou

    1996-01-01

    A Bose gas in an external potential is studied by means of the local density approximation. Analytical results are derived for the thermodynamic properties of an ideal Bose gas in a generic power-law trapping potential, and their dependence on the mutual interaction of atoms in the case of a non-ideal Bose gas.

  20. Comparison of thin layer chromatographic and gas chromatographic determination of propoxur residues in a cocoa ecosystem

    International Nuclear Information System (INIS)

    Yeboah, P.O.; Lowor, S.; Akpabli, C.K.

    2005-01-01

    The fate of propoxur in a cocoa ecosystem has been studied using thin layer chromatographic (TLC) and gas chromatographic (GC) methods. Residues of propoxur as determined by both TLC and GC were not significantly different. TLC analysis of propoxur residues in soil, cocoa leaves and pods did not require any rigorous cleanup since residues measured from cleaned extracts and without cleanup were not significantly different. The residue levels of propoxur in the soil were found to decrease rapidly and, by the 21st day, none was detected in the topsoil (0-15 cm). Evidence of leaching of propoxur residues in the soil has also been demonstrated. The amount left in the top soil after the first seven days were 27%, 23% and 24% of the initial one as determined by the TLC without cleanup, TLC with cleanup and GLC, respectively. No propoxur residue was detected in topsoil 21 days after spraying. About 38% of pesticides detected on the cocoa pod on the day of treatment remained on the pod seven days after treatment. The residue detected on the leaves on the day of treatment was higher than that in or on the soil. This decreased rapidly to 1.7% in 21 days compared to 16% for the soil and 23% for the pod. (author)

  1. A critical analysis of computational protein design with sparse residue interaction graphs.

    Science.gov (United States)

    Jain, Swati; Jou, Jonathan D; Georgiev, Ivelin S; Donald, Bruce R

    2017-03-01

    Protein design algorithms enumerate a combinatorial number of candidate structures to compute the Global Minimum Energy Conformation (GMEC). To efficiently find the GMEC, protein design algorithms must methodically reduce the conformational search space. By applying distance and energy cutoffs, the protein system to be designed can thus be represented using a sparse residue interaction graph, where the number of interacting residue pairs is less than all pairs of mutable residues, and the corresponding GMEC is called the sparse GMEC. However, ignoring some pairwise residue interactions can lead to a change in the energy, conformation, or sequence of the sparse GMEC vs. the original or the full GMEC. Despite the widespread use of sparse residue interaction graphs in protein design, the above mentioned effects of their use have not been previously analyzed. To analyze the costs and benefits of designing with sparse residue interaction graphs, we computed the GMECs for 136 different protein design problems both with and without distance and energy cutoffs, and compared their energies, conformations, and sequences. Our analysis shows that the differences between the GMECs depend critically on whether or not the design includes core, boundary, or surface residues. Moreover, neglecting long-range interactions can alter local interactions and introduce large sequence differences, both of which can result in significant structural and functional changes. Designs on proteins with experimentally measured thermostability show it is beneficial to compute both the full and the sparse GMEC accurately and efficiently. To this end, we show that a provable, ensemble-based algorithm can efficiently compute both GMECs by enumerating a small number of conformations, usually fewer than 1000. This provides a novel way to combine sparse residue interaction graphs with provable, ensemble-based algorithms to reap the benefits of sparse residue interaction graphs while avoiding their

  2. Determination of Profenofos Pesticidal Residue in Lettuce (Lactuca sativa L. by Gas Chromatographic Method

    Directory of Open Access Journals (Sweden)

    Yohannes Alen

    2015-05-01

    Full Text Available The determination of profenofos pesticidal residue in the lettuce (Lactuca sativa L. by using gas chromatography using flame photometric detector (FPD had been investigated. The lettuce was collected from Padang Luar area, Agam distric, West Sumatera. Sample for determination of profenofos residue divided into three groups: unwashed (A, washed with water (B, and washed with detergent (C. Maceration with sonication was used for the extraction using ethylacetateas a solvent. The results showed that profenofos pesticide residue in sample A, B and C were 0.204, 0.080 and 0.061 ppm, respectively. These profenofos pesticidal residue are over than the Maximum Residue Limits (MRL that established by The Japan Food Chemical Research Foundation (0.05 ppm even though World Health Organization (WHO has not established Maximum Residue Limits (MRL profenofos on lettuce. Based on the statistical analysis one-way method (Anova using SPSS 20.0 showed that there was a significant concentrations difference between lettuce A from lettuce B and lettuce C with p < 0.05.

  3. Electrostatic interactions in gas-solid chromatography.

    Science.gov (United States)

    Benson, S. W.; King, J., Jr.

    1966-01-01

    Electrostatic theory of physical adsorption applied to gas-solid chromatography, discussing chromatographic inseparability of argon and oxygen at room temperature, prediction of elution order of many gases, etc

  4. Assessment of pesticide residues in some fruits using gas chromatography coupled with micro electron capture detector

    International Nuclear Information System (INIS)

    Latif, Y.; Sherazi, S.T.H.; Bhanger, M.I.

    2011-01-01

    A very sensitive analytical method for the determination of 26 pesticides in some fruits based on solid phase extraction (SPE) cleanup was developed using gas chromatography (GC) coupled with micro electron capture detector (mu ECD). The identity of the pesticides was confirmed by gas chromatography mass spectroscopy (GC-MS) using selected ion monitoring (SIM) mode. Ethyl acetate was used as a solvent for the extraction of pesticide residues with assistance of sonication. For cleanup an octadecyl, C18 SPE column was used. A linear response of mu ECD was observed for all pesticides with good correlation coefficients (>0.9992). Proposed method was successfully applied for the determination of pesticide residues in the orange, apple, and grape fruits. Average recoveries achieved for all of the pesticides at fortification levels of 0.05, 1.0 and 2.0 mu g g/sup -1/ in analyzed fruits were above 90% with relative standard deviations (RSD) less than 6%. (author)

  5. Residual Gas and Dust around Transition Objects and Weak T Tauri Stars

    Energy Technology Data Exchange (ETDEWEB)

    Doppmann, Greg W. [W. M. Keck Observatory, 65-1120 Mamalahoa Hwy., Kamuela, HI 96743 (United States); Najita, Joan R. [National Optical Astronomy Observatory, 950 N. Cherry Avenue, Tucson, AZ 85719 (United States); Carr, John S., E-mail: gdoppmann@keck.hawaii.edu, E-mail: najita@noao.edu, E-mail: carr@nrl.navy.mil [Naval Research Laboratory, Code 7213, Washington, DC 20375 (United States)

    2017-02-20

    Residual gas in disks around young stars can spin down stars, circularize the orbits of terrestrial planets, and whisk away the dusty debris that is expected to serve as a signpost of terrestrial planet formation. We have carried out a sensitive search for residual gas and dust in the terrestrial planet region surrounding young stars ranging in age from a few to ∼10 Myr. Using high-resolution 4.7 μ m spectra of transition objects (TOs) and weak T Tauri stars, we searched for weak continuum excesses and CO fundamental emission, after making a careful correction for the stellar contribution to the observed spectrum. We find that the CO emission from TOs is weaker and located farther from the star than CO emission from nontransition T Tauri stars with similar stellar accretion rates. The difference is possibly the result of chemical and/or dynamical effects (i.e., a low CO abundance or close-in low-mass planets). The weak T Tauri stars show no CO fundamental emission down to low flux levels (5 × 10{sup −20} to 10{sup −18} W m{sup −2}). We illustrate how our results can be used to constrain the residual disk gas content in these systems and discuss their potential implications for star and planet formation.

  6. Effect of Residual Gas Composition on Epitaxial Growth of Graphene on SiC

    Science.gov (United States)

    Kunc, J.; Rejhon, M.; Belas, E.; Dědič, V.; Moravec, P.; Franc, J.

    2017-10-01

    In recent years, graphene growth optimization has been one of the key routes towards large-scale, high-quality graphene production. We measure in situ residual gas content during epitaxial-graphene growth on silicon carbide (SiC) to find detrimental factors of epitaxial-graphene growth. The growth conditions in high vacuum, in argon, purified argon, and the flow of argon are compared. The grown epitaxial graphene is studied by Raman-scattering mapping. We determine mechanical strain, number of graphene layers and the graphene quality. The surface topography is measured by atomic force microscopy. Charge density and carrier mobility are studied by Hall-effect measurements in van der Pauw configuration. We identify the major role of the chemical reaction of carbon and residual water. The rate of the reaction is lowered when purified argon is used. We also show that, according to time-varying gas content, it is preferable to grow graphene at higher temperatures and shorter times. Other sources of growth environment contamination are also discussed. The reaction of residual gas and SiC is discussed as one of the factors decreasing the lateral size of SiC atomically flat terraces and leading to their irregular shape. The importance of purified argon and its sufficient flow rate is concluded to be important for high-quality graphene growth as it reduces the rate of undesired chemical reactions and provides a more stable and defined growth ambient.

  7. RKKY interaction for the spin-polarized electron gas

    Science.gov (United States)

    Valizadeh, Mohammad M.; Satpathy, Sashi

    2015-11-01

    We extend the original work of Ruderman, Kittel, Kasuya and Yosida (RKKY) on the interaction between two magnetic moments embedded in an electron gas to the case where the electron gas is spin-polarized. The broken symmetry of a host material introduces the Dzyaloshinsky-Moriya (DM) vector and tensor interaction terms, in addition to the standard RKKY term, so that the net interaction energy has the form ℋ = JS1 ṡS2 + D ṡS1 ×S2 + S1 ṡΓ ↔ṡS2. We find that for the spin-polarized electron gas, a nonzero tensor interaction Γ ↔ is present in addition to the scalar RKKY interaction J, while D is zero due to the presence of inversion symmetry. Explicit expressions for these are derived for the electron gas both in 2D and 3D and we show that the net magnetic interaction can be expressed as a sum of Heisenberg and Ising like terms. The RKKY interaction exhibits a beating pattern, caused by the presence of the two Fermi momenta kF↑ and kF↓, while the R-3 distance dependence of the original RKKY result for the 3D electron gas is retained. This model serves as a simple example of the magnetic interaction in systems with broken symmetry, which goes beyond the RKKY interaction.

  8. [Simultaneous determination of seven residual solvents in bovis calculus artifactus by headspace gas chromatography].

    Science.gov (United States)

    Chi, Shuyao; Wu, Dike; Sun, Jinhong; Ye, Ruhan; Wang, Xiaoyan

    2014-05-01

    A headspace gas chromatography (HS-GC) method was developed for the simultaneous determination of seven residual solvents (petroleum ether (60-90 degrees C), acetone, ethyl acetate, methanol, methylene chloride, ethanol and butyl acetate) in bovis calculus artifactus. The DB-WAX capillary column and flame ionization detector (FID) were used for the separation and detection of the residual solvents, and the internal standard method was used for the quantification. The chromatographic conditions, such as equilibrium temperature and equilibrium time, were optimized. Under the optimized conditions, all of the seven residual solvents showed good linear relationships with good correlation coefficients (not less than 0.999 3) in the prescribed concentration range. At three spiked levels, the recoveries for the seven residual solvents were 94.7%-105.2% with the relative standard deviations (RSDs) less than 3.5%. The limits of detection (LODs) of the method were 0.43-5.23 mg/L, and the limits of quantification (LOQs) were 1.25-16.67 mg/L. The method is simple, rapid, sensitive and accurate, and is suitable for the simultaneous determination of the seven residual solvents in bovis calculus artifactus.

  9. Analysis of residual toluene in food packaging via headspace extraction method using gas chromatography

    International Nuclear Information System (INIS)

    Lim, Ying Chin; Mohd Marsin Sanagi

    2008-01-01

    Polymeric materials are used in many food contact applications as packaging material. The presence of residual toluene in this food packaging material can migrate into food and thus affect the quality of food. In this study, a manual headspace analysis was successfully designed and developed. The determination of residual toluene was carried out with standard addition method and multiple headspace extraction, MHE) method using gas chromatography-flame ionization detector, GC-FID). Identification of toluene was performed by comparison of its retention time with standard toluene and GC-MS. It was found that the suitable heating temperature was 180 degree Celsius with an optimum heating time of 10 minutes. The study also found that the concentration of residual toluene in multicolored sample was higher compared to mono colored sample whereas residual toluene in sample analyzed using standard addition method was higher compared to MHE method. However, comparison with the results obtained from De Paris laboratory, France found that MHE method gave higher accuracy for sample with low analyte concentration. On the other hand, lower accuracy was obtained for sample with high concentration of residual toluene due to systematic errors. Comparison between determination methods showed that MHE method is more precise compared to standard addition method. (author)

  10. Phase space analysis of some interacting Chaplygin gas models

    Energy Technology Data Exchange (ETDEWEB)

    Khurshudyan, M. [Academy of Sciences of Armenia, Institute for Physical Research, Ashtarak (Armenia); Tomsk State University of Control Systems and Radioelectronics, Laboratory for Theoretical Cosmology, Tomsk (Russian Federation); Tomsk State Pedagogical University, Department of Theoretical Physics, Tomsk (Russian Federation); Myrzakulov, R. [Eurasian National University, Eurasian International Center for Theoretical Physics, Astana (Kazakhstan)

    2017-02-15

    In this paper we discuss a phase space analysis of various interacting Chaplygin gas models in general relativity. Linear and nonlinear sign changeable interactions are considered. For each case appropriate late time attractors of field equations are found. The Chaplygin gas is one of the dark fluids actively considered in modern cosmology due to the fact that it is a joint model of dark energy and dark matter. (orig.)

  11. Determination of insecticides malathion and lambda-cyhalothrin residues in zucchini by gas chromatography

    Directory of Open Access Journals (Sweden)

    Hayam M. Lofty

    2013-12-01

    Full Text Available A sensitive gas chromatographic method has been developed for the determination of malathion and lambda-cyhalothrin (λ-cyhalothrin insecticide residues in zucchini. The developed method consists of extraction with acetone, purification and partitioning with methylene chloride, column chromatographic clean-up, and finally capillary gas chromatographic determination of the insecticides. The recoveries of method were greater than 90% and limit of determination was 0.001 ppm for both insecticides. The method was applied to determine residues and the rate of disappearance of malathion and λ-cyhalothrin from fruits of zucchini (open field treatment, 50 cc of Malason/Cormandel 57% EC (emulsifiable concentrate for 100 L of water, 20 cc of LAMBDA SUPER FOG 5% liquid for 100 L of water. The insecticide incorporated into the plants decreased rapidly with a half-life time around 0.77 day (18.5h for malathion and 4 days for λ-cyhalothrin. It is not recommended to use zucchini before 12 h of malathion application. For λ-cyhalothrin, the preharvest interval is 5 days. Four market samples were chosen from different regions from A.R.E. and all of them showed no residues of malathion or λ-cyhalothrin.

  12. Alternative Gas Mixtures in Arc Spraying: A Chance to Improve Coating Properties and Residual Stress States

    Science.gov (United States)

    Hauer, Michél; Henkel, Knuth Michael; Krebs, Sebastian; Kroemmer, Werner

    2018-01-01

    The highly cavitation erosion-resistant propeller alloys CuAl9Ni5Fe4Mn (Ni-Al-Bronze) and CuMn13Al8Fe3Ni2 (Mn-Al-Bronze) were arc-sprayed using a mixture of nitrogen and 2% of hydrogen as atomizing gas and different traverse speeds. The objective was to identify the influences of the different spraying conditions, such as temperature regime and melting loss, on the resulting residual stress states and coating properties. Residual stresses were measured by the incremental hole-drilling method using ESPI. Temperature measurements were carried out by thermographic imaging. Microstructural, chemical and mechanical analyses were realized to examine adhesive and cohesive properties. Additionally, the cavitation erosion behavior was investigated to analyze cohesive coating properties. The spraying process itself was improved, which was apparent by mainly enhanced deposition efficiency and reduced surface temperatures. The amount of oxides and pores as well as the melting loss of alloying elements were reduced. Moreover, an increased cavitation erosion resistance and thus coating cohesion as well as less residual stresses were identified. The change in atomizing gas diminished the impact of the quenching stresses on the coating properties. In contrast, the adhesive strength, Young's moduli and partially the hardness were slightly reduced. With regard to materials, Ni-Al-Bronze revealed superior coating properties in comparison with Mn-Al-Bronze.

  13. Technical assessment of synthetic natural gas (SNG) production from agriculture residuals

    Science.gov (United States)

    Song, Guohui; Feng, Fei; Xiao, Jun; Shen, Laihong

    2013-08-01

    This paper presents thermodynamic evaluations of the agriculture residual-to-SNG process by thermochemical conversion, which mainly consists of the interconnected fluidized beds, hot gas cleaning, fluidized bed methanation reactor and Selexol absorption unit. The process was modeled using Aspen Plus software. The process performances, i.e., CH4 content in SNG, higher heating value and yield of SNG, exergy efficiencies with and without heat recovery, unit power consumption, were evaluated firstly. The results indicate that when the other parameters remain unchanged, the steam-to-biomass ratio at carbon boundary point is the optimal value for the process. Improving the preheating temperatures of air and gasifying agent is beneficial for the SNG yield and exergy efficiencies. Due to the effects of CO2 removal efficiency, there are two optimization objectives for the SNG production process: (I) to maximize CH4 content in SNG, or (II) to maximize SNG yield. Further, the comparison among different feedstocks indicates that the decreasing order of SNG yield is: corn stalk > wheat straw > rice straw. The evaluation on the potential of agriculture-based SNG shows that the potential annual production of agriculture residual-based SNG could be between 555×108 ˜ 611×108 m3 with utilization of 100% of the available unexplored resources. The agriculture residual-based SNG could play a significant role on solving the big shortfall of China's natural gas supply in future.

  14. Interaction of 18-residue peptides derived from amphipathic helical ...

    Indian Academy of Sciences (India)

    Madhsudhan

    amphipathic peptides having potent antimicrobial activities;. Biochemistry 31 12688–12694. Cornell R B and Taneva S G 2006 Amphipathic helices as mediators of the membrane interaction of amphitropic proteins, and as modulators of bilayer physical properties; Curr. Protein. Pept. Sci. 6 539–552. Dathe M, Schumann M, ...

  15. Comparison of Postoperative Pain and Residual Gas Between Restrictive and Liberal Fluid Therapy in Patients Undergoing Laparoscopic Cholecystectomy.

    Science.gov (United States)

    Yao, Lei; Wang, Yulan; Du, Boxiang; Song, Jie; Ji, Fuhai

    2017-10-01

    Different fluid regimens are used in the clinical management of perioperative fluid therapy, but there still is the argument about which fluid regimen is better for patients. This study was mainly designed to compare different fluid regimens on postoperative pain and residual gas in patients undergoing laparoscopic cholecystectomy. A total of 100 patients were equally randomized to receive restrictive fluid infusion (n=50) with lactated Ringer (LR) solution 5 mL/kg/h or liberal fluid infusion (n=50), with 30 mL/kg/h lactated Ringer solution. Postoperative pain was evaluated at 1, 6, and 24 hours after surgery using a visual analog scale (VAS). Postoperative subdiaphragmatic residual gas was monitored by x-ray at 24 hours after surgery. Patients in the restrictive group had significantly higher VAS pain scores at 6 hours after surgery than those in the liberal group (P=0.009). The incidence of subdiaphragmatic residual gas in the restrictive group was higher than in the liberal group (P=0.045). Patients who had residual gas had higher VAS pain scores than those with no residual gas in the restrictive group at 6 hours after surgery (P=0.02). Patients undergoing laparoscopic cholecystectomy with restrictive fluid therapy may suffer more severe postoperative pain than those receiving liberal fluid therapy. It suggests that the higher incidence of subdiaphragmatic residual gas may have occurred with restrictive fluid therapy.

  16. A Simple and Rapid Extraction for Gas Chromatographic Determination of Thiabendazole and Imazalil Residues in Lemons

    Directory of Open Access Journals (Sweden)

    Navickiene Sandro

    2002-01-01

    Full Text Available A rapid and efficient method is described for the determination of thiabendazole and imazalil residues in lemons (peel and pulp. The procedure is based on the extraction with an hexane:ethyl acetate mixture (1:1, v/v and gas chromatographic analysis using thermionic specific detection (TSD. The possibility of matrix effect was also studied. Mean recoveries from 8 replicates of fortified samples ranged from 79% to 109%, with relative standard deviation values between 2.4% to 12.8%. The detection and quantification limits of the method were 0.2 mg kg-1 and 0.5 mg kg-1, respectively.

  17. Simulation of diatomic gas-wall interaction and accommodation coefficients for negative ion sources and accelerators

    International Nuclear Information System (INIS)

    Sartori, E.; Serianni, G.; Brescaccin, L.

    2016-01-01

    Particle-wall interactions determine in different ways the operating conditions of plasma sources, ion accelerators, and beams operating in vacuum. For instance, a contribution to gas heating is given by ion neutralization at walls; beam losses and stray particle production—detrimental for high current negative ion systems such as beam sources for fusion—are caused by collisional processes with residual gas, with the gas density profile that is determined by the scattering of neutral particles at the walls. This paper shows that Molecular Dynamics (MD) studies at the nano-scale can provide accommodation parameters for gas-wall interactions, such as the momentum accommodation coefficient and energy accommodation coefficient: in non-isothermal flows (such as the neutral gas in the accelerator, coming from the plasma source), these affect the gas density gradients and influence efficiency and losses in particular of negative ion accelerators. For ideal surfaces, the computation also provides the angular distribution of scattered particles. Classical MD method has been applied to the case of diatomic hydrogen molecules. Single collision events, against a frozen wall or a fully thermal lattice, have been simulated by using probe molecules. Different modelling approximations are compared

  18. Simulation of diatomic gas-wall interaction and accommodation coefficients for negative ion sources and accelerators

    Science.gov (United States)

    Sartori, E.; Brescaccin, L.; Serianni, G.

    2016-02-01

    Particle-wall interactions determine in different ways the operating conditions of plasma sources, ion accelerators, and beams operating in vacuum. For instance, a contribution to gas heating is given by ion neutralization at walls; beam losses and stray particle production—detrimental for high current negative ion systems such as beam sources for fusion—are caused by collisional processes with residual gas, with the gas density profile that is determined by the scattering of neutral particles at the walls. This paper shows that Molecular Dynamics (MD) studies at the nano-scale can provide accommodation parameters for gas-wall interactions, such as the momentum accommodation coefficient and energy accommodation coefficient: in non-isothermal flows (such as the neutral gas in the accelerator, coming from the plasma source), these affect the gas density gradients and influence efficiency and losses in particular of negative ion accelerators. For ideal surfaces, the computation also provides the angular distribution of scattered particles. Classical MD method has been applied to the case of diatomic hydrogen molecules. Single collision events, against a frozen wall or a fully thermal lattice, have been simulated by using probe molecules. Different modelling approximations are compared.

  19. Simulation of diatomic gas-wall interaction and accommodation coefficients for negative ion sources and accelerators.

    Science.gov (United States)

    Sartori, E; Brescaccin, L; Serianni, G

    2016-02-01

    Particle-wall interactions determine in different ways the operating conditions of plasma sources, ion accelerators, and beams operating in vacuum. For instance, a contribution to gas heating is given by ion neutralization at walls; beam losses and stray particle production-detrimental for high current negative ion systems such as beam sources for fusion-are caused by collisional processes with residual gas, with the gas density profile that is determined by the scattering of neutral particles at the walls. This paper shows that Molecular Dynamics (MD) studies at the nano-scale can provide accommodation parameters for gas-wall interactions, such as the momentum accommodation coefficient and energy accommodation coefficient: in non-isothermal flows (such as the neutral gas in the accelerator, coming from the plasma source), these affect the gas density gradients and influence efficiency and losses in particular of negative ion accelerators. For ideal surfaces, the computation also provides the angular distribution of scattered particles. Classical MD method has been applied to the case of diatomic hydrogen molecules. Single collision events, against a frozen wall or a fully thermal lattice, have been simulated by using probe molecules. Different modelling approximations are compared.

  20. Solute-solvent interaction parameters by gas chromatography.

    Science.gov (United States)

    Kováts, Ervin sz; Fóti, György; Dallos, András

    2004-08-13

    Gas-liquid distribution coefficients at ideal dilution in non-volatile solvents can be measured by gas chromatography. The numerical value of a coefficient depends on the choice of the concentration unit in the solvent and in the gas phase. The relationships between different coefficients characterizing gas-liquid equilibria are discussed and summarized. Coefficients determined at several temperatures permit calculation of the standard chemical potential difference of the solute with the ideal gas phase as reference as a function of temperature, the g-SPOT. Following the proposal of Kirchhoff the latter can be formulated as an equation with three constants. As in the gas phase the molecules of the solute have no interacting partners, the three constants, deltaH, deltaS and deltaC, characterize the interaction between solvent and solute molecules. They will be called the "solute-solvent interaction parameters". In the same system the values of these parameters depend on the choice of the distribution coefficient. Five different distribution coefficients result five sets of interaction parameters. It is shown that conversion of a parameter set to another implies additive corrections independent of the nature of the solute. If g-SPOT-s are measured in a series of solvents, the data may be used to calculate the corresponding liquid-liquid partition coefficients by electing one of the solvents as reference (l-SPOT). The corresponding "relative interaction parameters" can be calculated by simple substraction. In a second chapter the precautions are summarized, necessary for gas chromatographic determination of distribution coefficients and examples are given for interaction parameters in different systems. It is concluded that there are significant differences between g-SPOT-s related to different distribution coefficients. On the other hand, differences between l-SPOT-s are negligible.

  1. Analysis of Petroleum Products in Fire Debris Residues by Gas Chromatography: A Literature Review

    Directory of Open Access Journals (Sweden)

    Gurvinder Singh Bumbrah

    2017-06-01

    Full Text Available This review gives a brief overview of developments in the analysis of petroleum products (PP in fire debris residues (FDR by gas chromatography (GC. The review covers different aspects of analysis such as the substrates involved, isolation procedures, column and mobile phase used, and subsequent detection in tabular form. This paper covers detection of PP such as petrol, kerosene, and diesel in various types’ of samples of interest to fire debris analysts. Solid phase microextraction is most frequently used along with gas chromatography-mass spectrometry (GC-MS for the extraction and identification of PP from FDR. Chemometric tools should be used to improve the significance and reliability of results obtained from the analysis of FDR. However, the potential utility of portable GC-MS in fire debris analysis cannot be ignored, and its proper development and validation is required before using it for this purpose.

  2. Identification of Critical Paraoxonase 1 Residues Involved in High Density Lipoprotein Interaction*

    Science.gov (United States)

    Gu, Xiaodong; Huang, Ying; Levison, Bruce S.; Gerstenecker, Gary; DiDonato, Anthony J.; Hazen, Leah B.; Lee, Joonsue; Gogonea, Valentin; DiDonato, Joseph A.; Hazen, Stanley L.

    2016-01-01

    Paraoxonase 1 (PON1) is a high density lipoprotein (HDL)-associated protein with atherosclerosis-protective and systemic anti-oxidant functions. We recently showed that PON1, myeloperoxidase, and HDL bind to one another in vivo forming a functional ternary complex (Huang, Y., Wu, Z., Riwanto, M., Gao, S., Levison, B. S., Gu, X., Fu, X., Wagner, M. A., Besler, C., Gerstenecker, G., Zhang, R., Li, X. M., Didonato, A. J., Gogonea, V., Tang, W. H., et al. (2013) J. Clin. Invest. 123, 3815–3828). However, specific residues on PON1 involved in the HDL-PON1 interaction remain unclear. Unambiguous identification of protein residues involved in docking interactions to lipid surfaces poses considerable methodological challenges. Here we describe a new strategy that uses a novel synthetic photoactivatable and click chemistry-taggable phospholipid probe, which, when incorporated into HDL, was used to identify amino acid residues on PON1 that directly interact with the lipoprotein phospholipid surface. Several specific PON1 residues (Leu-9, Tyr-185, and Tyr-293) were identified through covalent cross-links with the lipid probes using affinity isolation coupled to liquid chromatography with on-line tandem mass spectrometry. Based upon the crystal structure for PON1, the identified residues are all localized in relatively close proximity on the surface of PON1, defining a domain that binds to the HDL lipid surface. Site-specific mutagenesis of the identified PON1 residues (Leu-9, Tyr-185, and Tyr-293), coupled with functional studies, reveals their importance in PON1 binding to HDL and both PON1 catalytic activity and stability. Specifically, the residues identified on PON1 provide important structural insights into the PON1-HDL interaction. More generally, the new photoactivatable and affinity-tagged lipid probe developed herein should prove to be a valuable tool for identifying contact sites supporting protein interactions with lipid interfaces such as found on cell membranes

  3. Scoring protein interaction decoys using exposed residues (SPIDER): a novel multibody interaction scoring function based on frequent geometric patterns of interfacial residues.

    Science.gov (United States)

    Khashan, Raed; Zheng, Weifan; Tropsha, Alexander

    2012-08-01

    Accurate prediction of the structure of protein-protein complexes in computational docking experiments remains a formidable challenge. It has been recognized that identifying native or native-like poses among multiple decoys is the major bottleneck of the current scoring functions used in docking. We have developed a novel multibody pose-scoring function that has no theoretical limit on the number of residues contributing to the individual interaction terms. We use a coarse-grain representation of a protein-protein complex where each residue is represented by its side chain centroid. We apply a computational geometry approach called Almost-Delaunay tessellation that transforms protein-protein complexes into a residue contact network, or an undirectional graph where vertex-residues are nodes connected by edges. This treatment forms a family of interfacial graphs representing a dataset of protein-protein complexes. We then employ frequent subgraph mining approach to identify common interfacial residue patterns that appear in at least a subset of native protein-protein interfaces. The geometrical parameters and frequency of occurrence of each "native" pattern in the training set are used to develop the new SPIDER scoring function. SPIDER was validated using standard "ZDOCK" benchmark dataset that was not used in the development of SPIDER. We demonstrate that SPIDER scoring function ranks native and native-like poses above geometrical decoys and that it exceeds in performance a popular ZRANK scoring function. SPIDER was ranked among the top scoring functions in a recent round of CAPRI (Critical Assessment of PRedicted Interactions) blind test of protein-protein docking methods. Copyright © 2012 Wiley Periodicals, Inc.

  4. Laboratory-based validation of the baseline sensors of the ITER diagnostic residual gas analyzer

    Energy Technology Data Exchange (ETDEWEB)

    Biewer, Theodore M. [ORNL; Marcus, Chris [ORNL; Klepper, C Christopher [ORNL; Andrew, Philip [ITER Organization, Cadarache, France; Gardner, W. L. [United States ITER Project Office; Graves, Van B. [ORNL; Hughes, Shaun [ITER Organization, Saint Paul Lez Durance, France

    2017-10-01

    The divertor-specific ITER Diagnostic Residual Gas Analyzer (DRGA) will provide essential information relating to DT fusion plasma performance. This includes pulse-resolving measurements of the fuel isotopic mix reaching the pumping ducts, as well as the concentration of the helium generated as the ash of the fusion reaction. In the present baseline design, the cluster of sensors attached to this diagnostic's differentially pumped analysis chamber assembly includes a radiation compatible version of a commercial quadrupole mass spectrometer, as well as an optical gas analyzer using a plasma-based light excitation source. This paper reports on a laboratory study intended to validate the performance of this sensor cluster, with emphasis on the detection limit of the isotopic measurement. This validation study was carried out in a laboratory set-up that closely prototyped the analysis chamber assembly configuration of the baseline design. This includes an ITER-specific placement of the optical gas measurement downstream from the first turbine of the chamber's turbo-molecular pump to provide sufficient light emission while preserving the gas dynamics conditions that allow for \\textasciitilde 1 s response time from the sensor cluster [1].

  5. Laboratory-based validation of the baseline sensors of the ITER diagnostic residual gas analyzer

    Science.gov (United States)

    Klepper, C. C.; Biewer, T. M.; Marcus, C.; Andrew, P.; Gardner, W. L.; Graves, V. B.; Hughes, S.

    2017-10-01

    The divertor-specific ITER Diagnostic Residual Gas Analyzer (DRGA) will provide essential information relating to DT fusion plasma performance. This includes pulse-resolving measurements of the fuel isotopic mix reaching the pumping ducts, as well as the concentration of the helium generated as the ash of the fusion reaction. In the present baseline design, the cluster of sensors attached to this diagnostic's differentially pumped analysis chamber assembly includes a radiation compatible version of a commercial quadrupole mass spectrometer, as well as an optical gas analyzer using a plasma-based light excitation source. This paper reports on a laboratory study intended to validate the performance of this sensor cluster, with emphasis on the detection limit of the isotopic measurement. This validation study was carried out in a laboratory set-up that closely prototyped the analysis chamber assembly configuration of the baseline design. This includes an ITER-specific placement of the optical gas measurement downstream from the first turbine of the chamber's turbo-molecular pump to provide sufficient light emission while preserving the gas dynamics conditions that allow for \\textasciitilde 1 s response time from the sensor cluster [1].

  6. The van der Waals interactions in rare-gas dimers: the role of interparticle interactions.

    Science.gov (United States)

    Chen, Yu-Ting; Hui, Kerwin; Chai, Jeng-Da

    2016-01-28

    We investigate the potential energy curves of rare-gas dimers with various ranges and strengths of interparticle interactions (nuclear-electron, electron-electron, and nuclear-nuclear interactions). Our investigation is based on the highly accurate coupled-cluster theory associated with those interparticle interactions. For comparison, the performances of the corresponding Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and density functional theory are also investigated. Our results reveal that when the interparticle interactions retain the long-range Coulomb tails, the nature of van der Waals interactions in the rare-gas dimers remains similar. By contrast, when the interparticle interactions are sufficiently short-range, the conventional van der Waals interactions in the rare-gas dimers completely disappear, yielding purely repulsive potential energy curves.

  7. [Determination of residual toluene diisocyanate in sponge bra by gas chromatography].

    Science.gov (United States)

    Wang, Aixia; Ye, Ping; Huang, Nan; Chen, Yan; Li, Xinggen

    2017-06-08

    A gas chromatography (GC) with internal standard method was developed for the determination of residual toluene diisocyanate (TDI) in sponge bra. The samples were extracted with ethyl acetate dehydrated, and cleaned up with 0.22 μm microfiltration membrane. The residual toluene diisocyanate was separated on a DB-624 capillary column using temperature programming. The flame ionization detector (FID) was used at 250 ℃. The inlet temperature was 180 ℃ with nitrogen as carrier gas. The linear range was 10-200 mg/L ( R 2 =0.9989) for TDI. The average recovery ranged from 80.5% to 91.6% with RSD not more than 7.9%( n =6). The limit of detection (LOD) and limit of quantification (LOQ) were 10 mg/kg and 100 mg/kg, respectively. The developed method was then utilized to analyse the 100 batches of sponge bra samples from the manufacturing enterprises, the entity shops and electric business platforms. The method is simple, time-saving and environment friendly with high sensitivity and good reproducibility, and has practical application value due to its low-cost and short-circle.

  8. Assessment of Pesticide Residues in Some Fruits Using Gas Chromatography Coupled with Micro Electron Capture Detector

    Directory of Open Access Journals (Sweden)

    M. I. Bhanger

    2011-12-01

    Full Text Available A very sensitive analytical method for the determination of 26 pesticides in some fruits based on solid phase extraction (SPE cleanup was developed using gas chromatography (GC coupled with micro electron capture detector (μECD. The identity of the pesticides was confirmed by gas chromatography mass spectroscopy (GC-MS using selected ion monitoring (SIM mode. Ethyl acetate was used as a solvent for the extraction of pesticide residues with assistance of sonication. For cleanup an octadecyl, C18 SPE column was used. A linear response of μECD was observed for all pesticides with good correlation coefficients (>0.9992. Proposed method was successfully applied for the determination of pesticide residues in the orange, apple, and grape fruits. Average recoveries achieved for all of the pesticides at fortification levels of 0.05, 1.0 and 2.0 μg g-1 in analyzed fruits were above 90% with relative standard deviations (RSD less than 6

  9. On residual gas analysis during high temperature baking of graphite tiles

    International Nuclear Information System (INIS)

    Prakash, A A; Chaudhuri, P; Khirwadkar, S; Reddy, D Chenna; Saxena, Y C; Chauhan, N; Raole, P M

    2008-01-01

    Steady-state Super-conducting Tokamak-1 (SST-1) is a medium size tokamak with major radius of 1.1 m and minor radius of 0.20 m. It is designed for plasma discharge duration of 1000 seconds to obtain fully steady-state plasma operation. Plasma Facing Components (PFC), consisting of divertors, passive stabilizers, baffles and poloidal limiters are also designed to be UHV compatible for steady state operation. All PFC are made up of graphite tiles mechanically attached to the copper alloy substrate. Graphite is one of the preferred first wall armour material in present day tokamaks. High thermal shock resistance and low atomic number of carbon are the most important properties of graphite for this application. High temperature vacuum baking of graphite tiles is the standard process to remove the impurities. Residual Gas Analyzer (RGA) has been used for qualitative and quantitative measurements of released gases from graphite tiles during baking. Surface Analysis of graphite tiles has also been done before and after baking. This paper describes the residual gas analysis during baking and surface analysis of graphite tiles

  10. On residual gas analysis during high temperature baking of graphite tiles

    Science.gov (United States)

    Prakash, A. A.; Chaudhuri, P.; Khirwadkar, S.; Chauhan, N.; Raole, P. M.; Reddy, D. Chenna; Saxena, Y. C.

    2008-05-01

    Steady-state Super-conducting Tokamak-1 (SST-1) is a medium size tokamak with major radius of 1.1 m and minor radius of 0.20 m. It is designed for plasma discharge duration of 1000 seconds to obtain fully steady-state plasma operation. Plasma Facing Components (PFC), consisting of divertors, passive stabilizers, baffles and poloidal limiters are also designed to be UHV compatible for steady state operation. All PFC are made up of graphite tiles mechanically attached to the copper alloy substrate. Graphite is one of the preferred first wall armour material in present day tokamaks. High thermal shock resistance and low atomic number of carbon are the most important properties of graphite for this application. High temperature vacuum baking of graphite tiles is the standard process to remove the impurities. Residual Gas Analyzer (RGA) has been used for qualitative and quantitative measurements of released gases from graphite tiles during baking. Surface Analysis of graphite tiles has also been done before and after baking. This paper describes the residual gas analysis during baking and surface analysis of graphite tiles.

  11. Determination of residual dimethylsulphoxide in drug loaded gelatin using thermal desorber - gas chromatography.

    Science.gov (United States)

    Asfaw, Adissu Alemayehu; Wolfs, Kris; Van Schepdael, Ann; Adams, Erwin

    2018-05-10

    Traditional headspace - gas chromatography (HS-GC) methods for the determination of residual solvents (RS) start from a homogenous sample solution. Subsequently, it is challenging to determine RS using HS-GC techniques from insoluble solid samples like gelatin which is practically impossible to dissolve or distribute uniformly in water and common organic solvents. In this study, a thermal desorber combined with capillary gas chromatography and flame ionization detection/mass spectrometry (TD-GC-FID/MS) was used for quantitative determination of residual dimethylsulfoxide (DMSO) in gelatin without sample pretreatment. A sample of gelatin was sandwiched between two quartz filter double layers in a polytetrafluoroethylene insert which was then placed in its entirety into a thermal desorption tube. Factors affecting the performance of TD-GC including desorption time, desorption temperature, desorption flow and type of adsorbent were studied by applying a standard solution of DMSO in methanol on a blank gelatin bed. Validation results of the proposed method showed good linearity with an R 2 -value higher than 0.999 for a wide concentration range and good sensitivity with a limit of detection and limit of quantification of 0.1 μg and 0.2 μg on tube, respectively. The proposed method shows recovery values close to 100%. In addition, a conventional HS-GC method following enzymatic degradation of gelatin was developed to verify the proposed TD-GC method. Both methods were applied for the determination of residual DMSO in gelatin that was loaded with an experimental drug. Results were comparable, but the enzyme assisted HS-GC method was more time consuming and expensive. Copyright © 2018 Elsevier B.V. All rights reserved.

  12. Computer simulation of void formation in residual gas atom free metals by dual beam irradiation experiments

    International Nuclear Information System (INIS)

    Shimomura, Y.; Nishiguchi, R.; La Rubia, T.D. de; Guinan, M.W.

    1992-01-01

    In our recent experiments (1), we found that voids nucleate at vacancy clusters which trap gas atoms such as hydrogen and helium in ion- and neutron-irradiated copper. A molecular dynamics computer simulation, which implements an empirical embedded atom method to calculate forces that act on atoms in metals, suggests that a void nucleation occurs in pure copper at six and seven vacancy clusters. The structure of six and seven vacancy clusters in copper fluctuates between a stacking fault tetrahedron and a void. When a hydrogen is trapped at voids of six and seven vacancy, a void can keep their structure for appreciably long time; that is, the void do not relax to a stacking fault tetrahedron and grows to a large void. In order to explore the detailed atomics of void formation, it is emphasized that dual-beam irradiation experiments that utilize beams of gas atoms and self-ions should be carried out with residual gas atom free metal specimens. (author)

  13. Microstructural damage and residual mechanical properties in helium-bearing gas metal Arc weldments

    Science.gov (United States)

    Goods, S. H.; Yang, N. Y. C.

    1992-03-01

    The influence of entrapped helium on microstructural damage and residual mechanical properties subsequent to applying low-penetration gas metal arc (GMA) weld overlays was examined for an AISI Type 304 stainless steel. Two helium levels were examined: 22.5 and 85.0 atomic parts per million (appm) He. Detailed scanning electron microscopy (SEM) revealed the presence of intergranular cracks in the weld heat-affected zone (HAZ). The crack surfaces exhibited a dimple structure that was characteristic of a gas bubble embrittled material. Transmission electron microscopy (TEM) revealed that the size and spacing of the grain boundary helium gas bubbles remained virtually unchanged (relative to that established by the charging and aging procedure) at distances greater than 1 mm from the fusion line. Within this first millimeter, the diameter of the bubbles increased rapidly, and the bubble spacing increased to the characteristic spacing of the dimples that decorated weld-induced cracks. Mechanical testing revealed a loss in strain-to-fracture and ultimate tensile strength (UTS) at the higher helium level. While the majority of the fracture occurred in a transgranular, ductile manner, some deformation-induced intergranular cracking was observed. This cracking occurred over a very narrow region localized to the HAZ of the weldment. At the lower helium level, ductility and strength were unaffected compared to helium-free specimens.

  14. Statistical mechanics of the interacting Yang-Mills instanton gas

    International Nuclear Information System (INIS)

    Ilgenfritz, E.-M.; Mueller-Preussker, M.

    1980-01-01

    Within the framework of the dilute gas approximation the instanton gas with dipole-like interaction is studied, including hard-core repulsion necessarily implied by the consistency of this approximation. A new, selfconsistent scheme is obtained of instanton calculations provided by a cooperative suppression of large instantons instead of the usual ad hoc infrared cut-off. Diluteness is better under control by a single, regularization prescription independent parameter. Functional methods known from statistical mechanics are used to treat the hard-core and dipole interactions simultaneously. The permeability of the instanton gas is calculated and used to discuss the Gell-Mann-Low β-function in the intermediate coupling range. The results are confronted with recent lattice calculations

  15. A method for computing the inter-residue interaction potentials for ...

    Indian Academy of Sciences (India)

    PRAKASH KUMAR

    2007-06-16

    Jun 16, 2007 ... [Luthra A, Jha A N, Ananthasuresh G K and Vishveswara S 2007 A method for computing the inter-residue interaction potentials for reduced amino acid alphabet; J. ... Therefore, a systematic approach to this problem is warranted so ... chemical and biological or quantitative measures are used. Dayhoff et al ...

  16. Electron space charge effects in ion sources for residual gas analysis

    International Nuclear Information System (INIS)

    Cowen, M.C.; Allison, W.

    1993-01-01

    An electron impact ionization source suitable for residual gas analysis (RGA) with a quadrupole mass spectrometer has been studied both experimentally and by computer simulation. The electronic space charge is shown to play a role in limiting the extracted current from RGA ion sources and the simulation treats this aspect of the problem self-consistently. Under certain source conditions, the ion extraction efficiency is observed to decrease for electron currents above approximately 1 mA - well below the current at which space charge limiting of the electron emission is expected. The observed effects are well reproduced by the simulation. We show that whereas the electron trajectories are only weakly perturbed by space charge effects, the loss of ionization efficiency can be attributed to drastic changes in the ion trajectories. (author)

  17. Pyrolysis of automotive shredder residue for the production of fuel-grade gas

    International Nuclear Information System (INIS)

    Sharp, L.L.; Ness, R.O. Jr.

    1993-01-01

    Every year eight to ten million cars and trucks are disposed of by shredding at one of the 200 auto shredders located in the United States. Automotive shredder residue (ASR) is a by-product created in the dismantling of automobiles. Figure 1 illustrates the process by which ASR is generated. An automobile is stripped of useful and/or hazardous items, such as the gas tank, battery, tires, and radiator. Although it is beneficial to have these items removed for safety and environmental concerns, this is not always accomplished. After removal of some or all of these items, the automobile is shredded to provide a material less than 4 inches in size and composed of approximately 50% organic and 50% inorganic fractions. Ferrous scrap is then separated out magnetically. This ferrous scrap supplies the steel industry with 12 to 14 million tons per year for electric arc furnace feedstock. Air cyclone separators isolate a low density open-quotes fluffclose quotes from the nonferrous fraction (aluminum, copper, etc.). This fluff (shredder residue) is composed of a variety of plastics, fabrics, foams, glass, rubber, and an assortment of contaminants. Fluff bulk density is approximately 20 lb/ft

  18. Procedure of Active Residual Heat Removal after Emergency Shutdown of High-Temperature-Gas-Cooled Reactor

    Directory of Open Access Journals (Sweden)

    Xingtuan Yang

    2014-01-01

    Full Text Available After emergency shutdown of high-temperature-gas-cooled reactor, the residual heat of the reactor core should be removed. As the natural circulation process spends too long period of time to be utilized, an active residual heat removal procedure is needed, which makes use of steam generator and start-up loop. During this procedure, the structure of steam generator may suffer cold/heat shock because of the sudden load of coolant or hot helium at the first few minutes. Transient analysis was carried out based on a one-dimensional mathematical model for steam generator and steam pipe of start-up loop to achieve safety and reliability. The results show that steam generator should be discharged and precooled; otherwise, boiling will arise and introduce a cold shock to the boiling tubes and tube sheet when coolant began to circulate prior to the helium. Additionally, in avoiding heat shock caused by the sudden load of helium, the helium circulation should be restricted to start with an extreme low flow rate; meanwhile, the coolant of steam generator (water should have flow rate as large as possible. Finally, a four-step procedure with precooling process of steam generator was recommended; sensitive study for the main parameters was conducted.

  19. Identification of Critical Paraoxonase 1 Residues Involved in High Density Lipoprotein Interaction.

    Science.gov (United States)

    Gu, Xiaodong; Huang, Ying; Levison, Bruce S; Gerstenecker, Gary; DiDonato, Anthony J; Hazen, Leah B; Lee, Joonsue; Gogonea, Valentin; DiDonato, Joseph A; Hazen, Stanley L

    2016-01-22

    Paraoxonase 1 (PON1) is a high density lipoprotein (HDL)-associated protein with atherosclerosis-protective and systemic anti-oxidant functions. We recently showed that PON1, myeloperoxidase, and HDL bind to one another in vivo forming a functional ternary complex (Huang, Y., Wu, Z., Riwanto, M., Gao, S., Levison, B. S., Gu, X., Fu, X., Wagner, M. A., Besler, C., Gerstenecker, G., Zhang, R., Li, X. M., Didonato, A. J., Gogonea, V., Tang, W. H., et al. (2013) J. Clin. Invest. 123, 3815-3828). However, specific residues on PON1 involved in the HDL-PON1 interaction remain unclear. Unambiguous identification of protein residues involved in docking interactions to lipid surfaces poses considerable methodological challenges. Here we describe a new strategy that uses a novel synthetic photoactivatable and click chemistry-taggable phospholipid probe, which, when incorporated into HDL, was used to identify amino acid residues on PON1 that directly interact with the lipoprotein phospholipid surface. Several specific PON1 residues (Leu-9, Tyr-185, and Tyr-293) were identified through covalent cross-links with the lipid probes using affinity isolation coupled to liquid chromatography with on-line tandem mass spectrometry. Based upon the crystal structure for PON1, the identified residues are all localized in relatively close proximity on the surface of PON1, defining a domain that binds to the HDL lipid surface. Site-specific mutagenesis of the identified PON1 residues (Leu-9, Tyr-185, and Tyr-293), coupled with functional studies, reveals their importance in PON1 binding to HDL and both PON1 catalytic activity and stability. Specifically, the residues identified on PON1 provide important structural insights into the PON1-HDL interaction. More generally, the new photoactivatable and affinity-tagged lipid probe developed herein should prove to be a valuable tool for identifying contact sites supporting protein interactions with lipid interfaces such as found on cell membranes

  20. Electromagnetic radiations from laser interaction with gas-filled Hohlraum

    Science.gov (United States)

    Yang, Ming; Yang, Yongmei; Li, Tingshuai; Yi, Tao; Wang, Chuanke; Liu, Shenye; Jiang, Shaoen; Ding, Yongkun

    2018-01-01

    The emission of intensive electromagnetic pulse (EMP) due to laser-target interactions at the ShenGuang-III laser facility has been evaluated by probes. EMP signals measured using the small discone antennas demonstrated two variation trends including a bilateral oscillation wave and a unilateral oscillation wave. The new trend of unilateral oscillation could be attributed to the hohlraum structure and low-Z gas in the hohlraum. The EMP waveform showed multiple peaks when the gas-filled hohlraum was shot by the high-power laser. Comparing the EMP signals with the verification of stimulated Raman scattering energy and hard x-ray energy spectrum, we found that the intensity of EMP signals decreased with the increase of the hohlraum size. The current results are expected to offer preliminary information to study physical processes on laser injecting gas-filled hohlraums in the National Ignition Facility implementation.

  1. Sulphur Atoms from Methionines Interacting with Aromatic Residues Are Less Prone to Oxidation

    Science.gov (United States)

    Aledo, Juan C.; Cantón, Francisco R.; Veredas, Francisco J.

    2015-01-01

    Methionine residues exhibit different degrees of susceptibility to oxidation. Although solvent accessibility is a relevant factor, oxidation at particular sites cannot be unequivocally explained by accessibility alone. To explore other possible structural determinants, we assembled different sets of oxidation-sensitive and oxidation-resistant methionines contained in human proteins. Comparisons of the proteins containing oxidized methionines with all proteins in the human proteome led to the conclusion that the former exhibit a significantly higher mean value of methionine content than the latter. Within a given protein, an examination of the sequence surrounding the non-oxidized methionine revealed a preference for neighbouring tyrosine and tryptophan residues, but not for phenylalanine residues. However, because the interaction between sulphur atoms and aromatic residues has been reported to be important for the stabilization of protein structure, we carried out an analysis of the spatial interatomic distances between methionines and aromatic residues, including phenylalanine. The results of these analyses uncovered a new determinant for methionine oxidation: the S-aromatic motif, which decreases the reactivity of the involved sulphur towards oxidants. PMID:26597773

  2. Optimization of therapeutic proteins to delete T-cell epitopes while maintaining beneficial residue interactions.

    Science.gov (United States)

    Parker, Andrew S; Griswold, Karl E; Bailey-Kellogg, Chris

    2011-04-01

    Exogenous enzymes, signaling peptides, and other classes of nonhuman proteins represent a potentially massive but largely untapped pool of biotherapeutic agents. Adapting a foreign protein for therapeutic use poses numerous design challenges. We focus here on one significant problem: modifying the protein to mitigate the immune response mounted against "non-self" proteins, while not adversely affecting the protein's stability or therapeutic activity. In order to propose such variants suitable for experimental evaluation, this paper develops a computational method to select sets of mutations predicted to delete immunogenic T-cell epitopes, as evaluated by a 9-mer potential, while simultaneously maintaining important residues and residue interactions, as evaluated by one- and two-body potentials. While this design problem is NP-hard, we develop an integer programming approach that works very well in practice. We demonstrate the effectiveness of our approach by developing plans for biotherapeutic proteins that, in previous studies, have been partially deimmunized via extensive experimental characterization and modification of limited segments. In contrast, our global optimization technique considers an entire protein and accounts for all residues, residue interactions, and epitopes in proposing candidates worth subjecting to experimental evaluation.

  3. Are young supernova remnants interacting with circumstellar gas

    International Nuclear Information System (INIS)

    Chevalier, R.A.

    1982-01-01

    The young remnants of galactic Type I supernovae (SN 1006, SN 1572, and SN 1604) appear to be interacting with moderately dense gas (n/sub O/> or =0.1 cm -3 ). If the gas in the ambient interstellar medium, the observations suggest that gas of this density is fairly pervasive. If the gas is circumstellar, there are important implications for the progenitors of Type I supernovae. A plausible density distribution for circumstellar gas is rhoinfinityr -2 . The expansion of a supernova into such a medium is examined and is compared with expansion into a uniform medium. The two cases can be distinguished on the basis of their density profiles and their rates of expansion. Currently available data factor the hypothesis of expansion in a uniform medium for all three Type I remnants; the evidence is the strongest for SN 1572 and the weakest for SN 1604. Further X-ray and radio observations of the galactic remnants and of extragalactic Type I supernovae should serve to test this hypothesis

  4. A residue level protein-protein interaction model in electrolyte solutions

    Science.gov (United States)

    Song, Xueyu

    2014-03-01

    The osmotic second virial coefficients B2 are directly related to the solubility of protein molecules in electrolyte solutions and can be useful to narrow down the search parameter space of protein crystallization conditions. Using a residue level model of protein-protein interaction in electrolyte solutions B2 of bovine pancreatic trypsin inhibitor and lysozyme in various solution conditions such as salt concentration, pH and temperature are calculated using an extended Fast Multipole Methods in combination with the boundary element formulation. Overall, the calculated B2 are well correlated with the experimental observations for various solution conditions. In combination with our previous work on the binding affinity calculations of protein complexes it is demonstrated that our residue level model can be used as a reliable model to describe protein-protein interaction in solutions.

  5. Residual solvent determination by head space gas chromatography with flame ionization detector in omeprazole API

    Directory of Open Access Journals (Sweden)

    Saurabh Pandey

    2011-06-01

    Full Text Available Residual solvents in pharmaceutical samples are monitored using gas chromatography with head space. Based on good manufacturing practices, measuring residual solvents is mandatory for the release testing of all active pharmaceutical ingredients (API. The analysis of residual organic solvents (methanol, acetone, cyclohexane, dichloromethane, toluene in Omeprazole, an active pharmaceutical ingredient was investigated. Omeprazole is a potent reversible inhibitor of the gastric proton pump H+/K+-ATPase. The Head space gas chromatography (HSGC method described in this investigation utilized a SPB TM-624, Supelco, 30 m long x 0.25 mm internal diameter, 1.4µm-thick column. Since Omeprazole is a thermally labile compound, the selection of the proper injector temperature is critical to the success of the analysis. The injector temperature was set at 170ºC to prevent degradation. The initial oven temperature was set at 40ºC for 12 min and programmed at a rate of 10ºC min-1 to a final temperature of 220ºC for 5 min. Nitrogen was used as a carrier gas. The sample solvent selected was N,N-dimethylacetamide. The method was validated to be specific, linear, precise, sensitive, rugged and showed excellent recovery.Solventes residuais em amostras farmacêuticas são monitoradas utilizando-se cromatografia a gás "headspace". Com base nas boas práticas de fabricação, a medida de solventes residuais é obrigatória para o teste de liberação de todos os ingredientes farmacêuticos (API. Efetuou-se a análise de solventes orgânicos residuais (metanol, acetona, cicloexano, diclorometano, tolueno em omeprazol, ingrediente farmacêutico ativo. O omeprazol é potente inibidor reversível da bomba de prótons H+/K+-ATPase. A cromatografia a gás "headspace" (HSGC descrita nessa pesquisa utilizou um SPB TM-624, Supelco, de 30 m de comprimento x 0,25 mm de diâmetro interno, e coluna de 1,4 µm de espessura. Considerando-se que o omeprazol é termicamente l

  6. PAIRpred: partner-specific prediction of interacting residues from sequence and structure.

    Science.gov (United States)

    Minhas, Fayyaz ul Amir Afsar; Geiss, Brian J; Ben-Hur, Asa

    2014-07-01

    We present a novel partner-specific protein-protein interaction site prediction method called PAIRpred. Unlike most existing machine learning binding site prediction methods, PAIRpred uses information from both proteins in a protein complex to predict pairs of interacting residues from the two proteins. PAIRpred captures sequence and structure information about residue pairs through pairwise kernels that are used for training a support vector machine classifier. As a result, PAIRpred presents a more detailed model of protein binding, and offers state of the art accuracy in predicting binding sites at the protein level as well as inter-protein residue contacts at the complex level. We demonstrate PAIRpred's performance on Docking Benchmark 4.0 and recent CAPRI targets. We present a detailed performance analysis outlining the contribution of different sequence and structure features, together with a comparison to a variety of existing interface prediction techniques. We have also studied the impact of binding-associated conformational change on prediction accuracy and found PAIRpred to be more robust to such structural changes than existing schemes. As an illustration of the potential applications of PAIRpred, we provide a case study in which PAIRpred is used to analyze the nature and specificity of the interface in the interaction of human ISG15 protein with NS1 protein from influenza A virus. Python code for PAIRpred is available at http://combi.cs.colostate.edu/supplements/pairpred/. © 2013 Wiley Periodicals, Inc.

  7. On the covalent character of rare gas bonding interactions: a new kind of weak interaction.

    Science.gov (United States)

    Zou, Wenli; Nori-Shargh, Davood; Boggs, James E

    2013-01-10

    At the averaged quadratic coupled-cluster (AQCC) level, a number of selected rare gas (Rg) containing systems have been studied using the quantum theory of atoms in molecules (QTAIM), natural bond orbital (NBO), and several other analysis methods. According to the criteria for a covalent bond, most of the Rg-M (Rg = He, Ne, Ar, Kr, Xe; M = Be, Cu, Ag, Au, Pt) bonds in this study are assigned to weak interactions instead of van der Walls or covalent ones. Our results indicate that the rare gas bond is a new kind of weak interaction, like the hydrogen bond for example.

  8. Removal of element mercury by medicine residue derived biochars in presence of various gas compositions

    International Nuclear Information System (INIS)

    Li, Guoliang; Shen, Boxiong; Li, Yongwang; Zhao, Bin; Wang, Fumei; He, Chuan; Wang, Yinyin; Zhang, Min

    2015-01-01

    Highlights: • Both physisorption and chemisorption of Hg 0 occurred on the surface of M6WN5. • Chemisorption process was an absolute predominant route for Hg 0 removal by M6WN5. • The effect of NO, H 2 O, SO 2 and O 2 on Hg 0 removal by M6WN5 was investigated. • M6WN5 demonstrated to be a promising Hg 0 sorbent in flue gas. - Abstract: Pyrolyzed biochars from an industrial medicinal residue waste were modified by microwave activation and NH 4 Cl impregnation. Mercury adsorption of different modified biochars was investigated in a quartz fixed-bed reactor. The results indicated that both physisorption and chemisorption of Hg 0 occurred on the surface of M6WN5 which was modified both microwave and 5 wt.% NH 4 Cl loading, and exothermic chemisorption process was a dominant route for Hg 0 removal. Microwave activation improved pore properties and NH 4 Cl impregnation introduced good active sites for biochars. The presence of NO and O 2 increased Hg 0 adsorption whereas H 2 O inhibited Hg 0 adsorption greatly. A converse effect of SO 2 was observed on Hg 0 removal, namely, low concentration of SO 2 promoted Hg 0 removal obviously whereas high concentration of SO 2 suppressed Hg 0 removal. The Hg 0 removal by M6WN5 was mainly due to the reaction of the C−Cl with Hg 0 to form HgCl 2 , and the active state of C−Cl * groups might be an intermediate group in this process. Thermodynamic analysis showed that mercury adsorption by the biochars was exothermic process and apparent adsorption energy was 43.3 kJ/mol in the range of chemisorption. In spite of low specific surface area, M6WN5 proved to be a promising Hg 0 sorbent in flue gas when compared with other sorbents

  9. Sequence-based discrimination of protein-RNA interacting residues using a probabilistic approach.

    Science.gov (United States)

    Pai, Priyadarshini P; Dash, Tirtharaj; Mondal, Sukanta

    2017-04-07

    Protein interactions with ribonucleic acids (RNA) are well-known to be crucial for a wide range of cellular processes such as transcriptional regulation, protein synthesis or translation, and post-translational modifications. Identification of the RNA-interacting residues can provide insights into these processes and aid in relevant biotechnological manipulations. Owing to their eventual potential in combating diseases and industrial production, several computational attempts have been made over years using sequence- and structure-based information. Recent comparative studies suggest that despite these developments, many problems are faced with respect to the usability, prerequisites, and accessibility of various tools, thereby calling for an alternative approach and perspective supplementation in the prediction scenario. With this motivation, in this paper, we propose the use of a simple-yet-efficient conditional probabilistic approach based on the application of local occurrence of amino acids in the interacting region in a non-numeric sequence feature space, for discriminating between RNA interacting and non-interacting residues. The proposed method has been meticulously tested for robustness using a cross-estimation method showing MCC of 0.341 and F- measure of 66.84%. Upon exploring large scale applications using benchmark datasets available to date, this approach showed an encouraging performance comparable with the state-of-art. The software is available at https://github.com/ABCgrp/DORAEMON. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Thermal desorption-Gas chromatographic methodology for the determination of residual solvents in mesoporous silica.

    Science.gov (United States)

    Asfaw, Adissu Alemayehu; Wolfs, Kris; Schepdael, Ann Van; Adams, Erwin

    2017-06-02

    In this work, thermal desorption-gas chromatography-flame ionization detection (TD-GC-FID) was adapted to enable the determination of residual solvents (RS) in mesoporous silica (MPSi). MPSi is often utilized in various pharmaceutical formulations or drug delivery systems and the accurate determination of RS is an important part of pharmaceutical quality control. Seven commonly used solvents (methanol, ethanol, acetone, isopropanol, dichloromethane, tetrahydrofuran and hexafluoroisopropanol) were evaluated in combination with 3 types of MPSi having pore sizes of 2-3, 15 and 25nm. Validation results showed general recovery values >98% and good linearity over the concentration ranges studied. The limits of detection (LOD) and limits of quantification (LOQ) for the different solvents ranged from 0.03 to 0.08μg and from 0.1 to 0.2μg per tube, respectively. Verification of the accuracy of the TD method was investigated by using an alternative method based on complete dissolution of MPSi in hydrofluoric acid (HF) followed by full evaporation headspace-GC (HS-GC). The results obtained from both procedures were not statistically different (p>0.05) when applied to actual experimental drug samples consisting of itraconazole loaded on MPSi. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Prediction of Gas Chromatography-Mass Spectrometry Retention Times of Pesticide Residues by Chemometrics Methods

    Directory of Open Access Journals (Sweden)

    Elaheh Konoz

    2013-01-01

    Full Text Available A quantitative structure-retention relationships (QSRRs method is employed to predict the retention time of 300 pesticide residues in animal tissues separated by gas chromatography-mass spectroscopy (GC-MS. Firstly, a six-parameter QSRR model was developed by means of multiple linear regression. The six molecular descriptors that were considered to account for the effect of molecular structure on the retention time are number of nitrogen, Solvation connectivity index-chi 1, Balaban Y index, Moran autocorrelation-lag 2/weighted by atomic Sanderson electronegativity, total absolute charge, and radial distribution function-6.0/unweighted. A 6-7-1 back propagation artificial neural network (ANN was used to improve the accuracy of the constructed model. The standard error values of ANN model for training, test, and validation sets are 1.559, 1.517, and 1.249, respectively, which are less than those obtained reveals by multiple linear regressions model (2.402, 1.858, and 2.036, resp.. Results obtained the reliability and good predictability of nonlinear QSRR model to predict the retention time of pesticides.

  12. Two body and multibody interaction in a cold Rydberg gas

    Science.gov (United States)

    Han, Jianing; Gallagher, Tom

    2009-05-01

    Cold Rydberg atoms trapped in a Magneto Optical Trap (MOT) are not isolated and they tend to bond through dipole-dipole and multiple-multiple interactions between Rydberg atoms. The dipole-dipole interaction and van der Waals interaction between two atoms have been intensively studied. However, the fact that the dipole-dipole interaction and van der Waals interaction show the same size of broadening, studied by Raithel's group, and there is transition between two molecular states, studied by Farooqi and Overstreet, can not be explained by the two atom picture. The purpose of this paper is to show the multibody nature of a dense cold Rydberg gas by studying the molecular state microwave spectrum. Specifically, single body, two body and three body interaction regions are separated. Moreover, the multibody energy levels for selected geometries are calculated. In addition, multibody blockade will be discussed. [3pt] [1] A. Reinhard, K. C. Younge, T. Cubel Liebisch, B. Knuffman, P. R. Berman, and G. Raithel, Phys. Rev. Lett. 100, 233201 (2008).[0pt] [2] S.M. Farooqi, D. Tong, S. Krishnan, J. Stanojevic,Y.P. Zhang, J.R. Ensher, A.S. Estrin, C. Boisseau, R. Cote, E.E. Eyler, and P.L. Gould, Phys. Rev. Lett. 91, 183002 (2003).[0pt] [3] K. Richard Overstreet, Arne Schwettmann, Jonathan Tallant, and James P. Shaffer, Phys. Rev. A 76, 011403 (2007).

  13. High pressure calorimetric studies of gas-polymer interactions

    Science.gov (United States)

    Banerjee, Tapan

    Gas sorption in polymeric materials is marked by mass uptake, volume dilation and enthalpy release. The enthalpy of sorption is a measure of polymer-penetrant interactions that complements mass uptake and volume dilation. We have developed a novel technique for direct measurement of enthalpy release, diffusion coefficient of gases and glass transition temperature of polymers in the presence of gas by high pressure microcalorimeter. Polymers used in this study are: bisphenol-A polycarbonate (PC), tetramethyl polycarbonate, tetrachloro polycarbonate, tetrabromo polycarbonate, poly(methyl methacrylate) and poly-dimethyl siloxane (PDMS). Gas used in the study is COsb2. Sorption is an exothermic phenomena. The heat of sorption in PDMS is constant at -1.5 kcal/mole, up to 300 psig and does not change upon depressurization. In PC, the heat of sorption changes from -3.4 kcal/mole during pressurization to -7.2 kcal/mole during depressurization due to presence of excess free volume regions in the glassy polycarbonate. The magnitude of enthalpy of sorption increases with conditioning pressure. Enthalpy of carbon dioxide sorption in polycarbonate substitutes are measured All samples were preconditioned with COsb2 at 300 psig and 35sp°C for 24 hours. The magnitude of the heat of sorption does not correlate well with polymer free volume, gas solubility or gas partial molar volume. The results suggest that free volume regions are not uniformly accessible. The transient signal from enthalpy of sorption experiment is used to extract diffusion coefficient. The diffusivities appear to be independent of sorbed gas concentration due to thermal inertia of the instrument although a increasing trend is expected. Glass transition temperature of polymers in the presence of high pressure COsb2 is measured. Tsbg measurements of the COsb2 - Poly(methyl methacrylate) system as a function g of gas phase pressure were made. Foaming appears to interfere with Tsbg measurement at the highest gas

  14. Influence of gas-generation on melt/concrete interaction

    International Nuclear Information System (INIS)

    Powers, D.A.

    1979-01-01

    Gases formed during the interaction of a high-temperature melt with concrete are shown to stem from the thermal dehydration and decarboxylation of the concrete. The kinetics of these decomposition reactions are described. Gases within the melt cause an apparent swelling of the melt. The observed swelling is not easily correlated to the rate of gas evolution. Metallic melts cause CO 2 /CO and H 2 O liberated from the melt to be reduced to CO and hydrogen. When these gases escape from the melt they assist in aerosol formation. As the gases cool they react along a pathway whose oxygen fugacity is apparently buffered by the iron-Wuestite equilibrium. Methane is a product of the gas-phase reaction. (orig./HP) [de

  15. Interacting Bose gas confined in a Kronig-Penney potential

    Science.gov (United States)

    Rodríguez, O. A.; Solís, M. A.

    We analyze the effect of the 1D periodic Kronig-Penney potential, composed of barriers of width b and separated a distance a, over an interacting Bose gas. At T = 0 , the Gross-Pitaevskii equation is solved analytically in terms of the Jacobi elliptic functions for repulsive or attractive interaction between bosons. By applying the boundary conditions for periodic solutions as well as the normalization of the wave function, we arrive to a set of nonlinear equations from which we obtain the density profile and the chemical potential of the condensate as a function of the particle momentum. The profiles for attractive and repulsive interactions are compared with that of the non-interacting case. For attractive interaction we are able to observe a pronounced spatial localization in the middle of every two barriers. We reproduce the well known results when the Kronig-Penney potential becomes a Dirac Comb. We acknowledge partial support from Grants PAPIIT IN111613 and CONACyT 221030.

  16. Crossing the phantom divide in an interacting generalized Chaplygin gas

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Compean, H [Centro de Investigacion y de Estudios Avanzados del IPN, Unidad Monterrey, Autopista al Aeropuerto km 9.5, CP 66600, Apodaca, NL (Mexico); Garcia-Jimenez, G; Ramirez, C [Facultad de Ciencias Fisico Matematicas, Universidad Autonoma de Puebla, PO Box 1364, 72000 Puebla (Mexico); Obregon, O, E-mail: compean@fis.cinvestav.mx, E-mail: ggarcia@fcfm.buap.mx, E-mail: ggarcia@fisica.ugto.mx, E-mail: octavio@fisica.ugto.mx, E-mail: cramirez@fcfm.buap.mx [Instituto de Fisica de la Universidad de Guanajuato, PO Box E-143, 37150 Leon Gto. (Mexico)

    2008-07-15

    Unified generalized Chaplygin gas models assuming an interaction between dark energy and dark matter fluids have been previously proposed. Following these ideas, we consider a particular relation between dark densities, which allows the possibility of a time varying equation of state for dark energy that crosses the phantom divide at a recent epoch. Moreover, these densities decay throughout the evolution of the Universe, avoiding a big rip. We find also a scaling solution, i.e. these densities are asymptotically proportional in the future, which contributes to the solution of the coincidence problem.

  17. Theory of Gas Injection: Interaction of Phase Behavior and Flow

    Science.gov (United States)

    Dindoruk, B.

    2015-12-01

    The theory of gas injection processes is a central element required to understand how components move and partition in the reservoir as one fluid is displacing another (i.e., gas is displacing oil). There is significant amount of work done in the area of interaction of phase-behavior and flow in multiphase flow conditions. We would like to present how the theory of gas injection is used in the industry to understand/design reservoir processes in various ways. The tools that are developed for the theory of gas injection originates from the fractional flow theory, as the first solution proposed by Buckley-Leveret in 1940's, for water displacing oil in porous media. After 1960's more and more complex/coupled equations were solved using the initial concept(s) developed by Buckley-Leverett, and then Welge et al. and others. However, the systematic use of the fractional flow theory for coupled set of equations that involves phase relationships (EOS) and phase appearance and disappearance was mainly due to the theory developed by Helfferich in early 80's (in petroleum literature) using method of characteristics primarily for gas injection process and later on by the systematic work done by Orr and his co-researchers during the last two decades. In this talk, we will present various cases that use and extend the theory developed by Helfferich and others (Orr et al., Lake et al. etc.). The review of various injection systems reveals that displacement in porous media has commonalities that can be represented with a unified theory for a class of problems originating from the theory of gas injection (which is in a way generalized Buckley-Leverett problem). The outcome of these solutions can be used for (and are not limited to): 1) Benchmark solutions for reservoir simulators (to quantify numerical dispersion, test numerical algorithms) 2) Streamline simulators 3) Design of laboratory experiments and their use (to invert the results) 4) Conceptual learning and to investigate

  18. Removal of element mercury by medicine residue derived biochars in presence of various gas compositions

    Energy Technology Data Exchange (ETDEWEB)

    Li, Guoliang [School of Energy and Environmental Engineering, Hebei University of Technology, Tianjin 300401 (China); College of Environmental Science and Engineering, Nankai University, Tianjin 300071 (China); Shen, Boxiong, E-mail: shenbx@nankai.edu.cn [School of Energy and Environmental Engineering, Hebei University of Technology, Tianjin 300401 (China); College of Environmental Science and Engineering, Nankai University, Tianjin 300071 (China); Li, Yongwang [College of Environmental Science and Engineering, Nankai University, Tianjin 300071 (China); Zhao, Bin [School of Chemical Engineering, Hebei University of Technology, Tianjin 300401 (China); Wang, Fumei; He, Chuan; Wang, Yinyin; Zhang, Min [College of Environmental Science and Engineering, Nankai University, Tianjin 300071 (China)

    2015-11-15

    Highlights: • Both physisorption and chemisorption of Hg{sup 0} occurred on the surface of M6WN5. • Chemisorption process was an absolute predominant route for Hg{sup 0} removal by M6WN5. • The effect of NO, H{sub 2}O, SO{sub 2} and O{sub 2} on Hg{sup 0} removal by M6WN5 was investigated. • M6WN5 demonstrated to be a promising Hg{sup 0} sorbent in flue gas. - Abstract: Pyrolyzed biochars from an industrial medicinal residue waste were modified by microwave activation and NH{sub 4}Cl impregnation. Mercury adsorption of different modified biochars was investigated in a quartz fixed-bed reactor. The results indicated that both physisorption and chemisorption of Hg{sup 0} occurred on the surface of M6WN5 which was modified both microwave and 5 wt.% NH{sub 4}Cl loading, and exothermic chemisorption process was a dominant route for Hg{sup 0} removal. Microwave activation improved pore properties and NH{sub 4}Cl impregnation introduced good active sites for biochars. The presence of NO and O{sub 2} increased Hg{sup 0} adsorption whereas H{sub 2}O inhibited Hg{sup 0} adsorption greatly. A converse effect of SO{sub 2} was observed on Hg{sup 0} removal, namely, low concentration of SO{sub 2} promoted Hg{sup 0} removal obviously whereas high concentration of SO{sub 2} suppressed Hg{sup 0} removal. The Hg{sup 0} removal by M6WN5 was mainly due to the reaction of the C−Cl with Hg{sup 0} to form HgCl{sub 2}, and the active state of C−Cl{sup *} groups might be an intermediate group in this process. Thermodynamic analysis showed that mercury adsorption by the biochars was exothermic process and apparent adsorption energy was 43.3 kJ/mol in the range of chemisorption. In spite of low specific surface area, M6WN5 proved to be a promising Hg{sup 0} sorbent in flue gas when compared with other sorbents.

  19. Computational Analysis of the Interaction Energies between Amino Acid Residues of the Measles Virus Hemagglutinin and Its Receptors

    Directory of Open Access Journals (Sweden)

    Fengqi Xu

    2018-05-01

    Full Text Available Measles virus (MV causes an acute and highly devastating contagious disease in humans. Employing the crystal structures of three human receptors, signaling lymphocyte-activation molecule (SLAM, CD46, and Nectin-4, in complex with the measles virus hemagglutinin (MVH, we elucidated computationally the details of binding energies between the amino acid residues of MVH and those of the receptors with an ab initio fragment molecular orbital (FMO method. The calculated inter-fragment interaction energies (IFIEs revealed a number of significantly interacting amino acid residues of MVH that played essential roles in binding to the receptors. As predicted from previously reported experiments, some important amino-acid residues of MVH were shown to be common but others were specific to interactions with the three receptors. Particularly, some of the (non-polar hydrophobic residues of MVH were found to be attractively interacting with multiple receptors, thus indicating the importance of the hydrophobic pocket for intermolecular interactions (especially in the case of Nectin-4. In contrast, the electrostatic interactions tended to be used for specific molecular recognition. Furthermore, we carried out FMO calculations for in silico experiments of amino acid mutations, finding reasonable agreements with virological experiments concerning the substitution effect of residues. Thus, the present study demonstrates that the electron-correlated FMO method is a powerful tool to search exhaustively for amino acid residues that contribute to interactions with receptor molecules. It is also applicable for designing inhibitors of MVH and engineered MVs for cancer therapy.

  20. Greenhouse gas reductions through enhanced use of residues in the life cycle of Malaysian palm oil derived biodiesel

    DEFF Research Database (Denmark)

    Hansen, Sune Balle; Olsen, Stig Irving; Ujang, Zaini

    2012-01-01

    This study identifies the potential greenhouse gas (GHG) reductions, which can be achieved by optimizing the use of residues in the life cycle of palm oil derived biodiesel. This is done through compilation of data on existing and prospective treatment technologies as well as practical experiments...... on methane potentials from empty fruit bunches. Methane capture from the anaerobic digestion of palm oil mill effluent was found to result in the highest GHG reductions. Among the solid residues, energy extraction from shells was found to constitute the biggest GHG savings per ton of residue, whereas energy...... extraction from empty fruit bunches was found to be the most significant in the biodiesel production life cycle. All the studied waste treatment technologies performed significantly better than the conventional practices and with dedicated efforts of optimized use in the palm oil industry, the production...

  1. Gas-star-interaction in Dense Galactic Nuclei

    Science.gov (United States)

    Just, A.; Amaro-Seoane, P.

    The precursor of a Supermassive Black Hole in the center of a galaxy may be described by a `supermassive star' (SMS) at the center of the galaxy. This is a strongly condensed gas cloud in the center of the central stellar component. The stability and evolution of the SMS depend essentially on the energetic interaction with the stellar component. The structure of the loss-cone (i.e. the part of phase space with stellar orbits crossing the SMS) and the total energy transfer rate to the SMS were recently studied in detail by Amaro-Seoane & Spurzem (2001, astro-ph/0105251, MNRAS in press). They used an estimate of the total cross section of each star when moving through the SMS resulting in a heating rate per dynamical time-scale. This point of view is reasonable for investigating the evolution of the stellar component as a function of radius. For an analysis of the structure and evolution of the SMS itself (i.e. the gaseous component) it is necessary to look on the radial dependance of the energy deposition due to the star-gas interaction. This can be done also semi-analytical in a statistical way by using the dynamical friction concept including a gaseous component (see Just, Kegel & Deiss, 1986, A&A 164, 337). From this the local heating rate of the gas can be estimated and the influence of this (dissipational) process on the stability of the SMS can be investigated. We compute the relevant time-scales as a function of radius for a SMS in the relevant mass range (103 dots 107 Msolar). In the regime of heating time-scales comparable to the evolution time of the SMS we will consider the question of stabilisation against core collapse (resulting in a delay of subsequent formation of a Supermassive Black Hole with the effect of a higher Black Hole mass?).

  2. Determination of antibiotic residues and their interaction in milk with lactate biosensor.

    Science.gov (United States)

    Rinken, T; Riik, H

    2006-03-31

    Milk and dairy products are among the most important foodstuffs and the quality of raw milk is of significant importance from the point of view of human health. For rapid determination of chloramphenicol and penicillin residues in raw milk, lactate oxidase-based amperometric biosensor was used. The concentration of antibiotic residuals was determined by two characteristic reaction parameters, calculated from the biosensor transient response with the dynamic biosensor model. Both chloramphenicol and penicillin caused the decrease of the value of the kinetic parameter, but they changed the total signal change parameter in different ways. The shift of the combined total signal change parameter at the simultaneous presence of these antibiotics indicated their antagonistic effect. Due to the respiration process of bacteria in raw milk, the dynamics of the biosensor signal was different in warm and cold seasons. The respiration characteristics were added to the biosensor model as a negative linear time-depending factor. The reaction characteristic parameters, obtained with this complemented model, showed excellent alignment in different conditions and allowed to detect antibiotic residues and their interaction in raw milk.

  3. Analysis of residual stress in metal-inert-gas-welded Al-2024 using neutron and synchrotron X-ray diffraction

    International Nuclear Information System (INIS)

    Ganguly, S.; Stelmukh, V.; Edwards, L.; Fitzpatrick, M.E.

    2008-01-01

    A combination of neutron and synchrotron X-ray diffraction was used to measure and map the full three-dimensional state of residual stress across the cross-section in coupon samples of metal-inert-gas (MIG)-welded 2024 aluminium alloy. Samples were analysed both as-welded and following a post-welding skim which served to remove the weld flash and reduce the plate thickness. The profile of the residual stress and its evolution following skimming has been accurately characterized. The longitudinal direction shows the highest residual stress, approaching 300 MPa in tension. The skimming treatment did not change the peak stress, but the overall profile of stress was altered: this is slightly unexpected as machining away stressed material would generally be expected to reduce the peak residual stress. The results are discussed in terms of the generation of stress during welding and its evolution during skimming. Finally a comparison is made with the stress generated in the as-welded and skimmed conditions of a variable polarity plasma arc (VPPA)-welded specimen of similar dimensions, to show the effects of different weld processes on the residual stress generated. The stress measurement in the VPPA sample was carried out under near identical experimental conditions

  4. Conserved cysteine residues provide a protein-protein interaction surface in dual oxidase (DUOX) proteins.

    Science.gov (United States)

    Meitzler, Jennifer L; Hinde, Sara; Bánfi, Botond; Nauseef, William M; Ortiz de Montellano, Paul R

    2013-03-08

    Intramolecular disulfide bond formation is promoted in oxidizing extracellular and endoplasmic reticulum compartments and often contributes to protein stability and function. DUOX1 and DUOX2 are distinguished from other members of the NOX protein family by the presence of a unique extracellular N-terminal region. These peroxidase-like domains lack the conserved cysteines that confer structural stability to mammalian peroxidases. Sequence-based structure predictions suggest that the thiol groups present are solvent-exposed on a single protein surface and are too distant to support intramolecular disulfide bond formation. To investigate the role of these thiol residues, we introduced four individual cysteine to glycine mutations in the peroxidase-like domains of both human DUOXs and purified the recombinant proteins. The mutations caused little change in the stabilities of the monomeric proteins, supporting the hypothesis that the thiol residues are solvent-exposed and not involved in disulfide bonds that are critical for structural integrity. However, the ability of the isolated hDUOX1 peroxidase-like domain to dimerize was altered, suggesting a role for these cysteines in protein-protein interactions that could facilitate homodimerization of the peroxidase-like domain or, in the full-length protein, heterodimeric interactions with a maturation protein. When full-length hDUOX1 was expressed in HEK293 cells, the mutations resulted in decreased H2O2 production that correlated with a decreased amount of the enzyme localized to the membrane surface rather than with a loss of activity or with a failure to synthesize the mutant proteins. These results support a role for the cysteine residues in intermolecular disulfide bond formation with the DUOX maturation factor DUOXA1.

  5. Intragenic suppressor of Osiaa23 revealed a conserved tryptophan residue crucial for protein-protein interactions.

    Directory of Open Access Journals (Sweden)

    Jun Ni

    Full Text Available The Auxin/Indole-3-Acetic Acid (Aux/IAA and Auxin Response Factor (ARF are two important families that play key roles in auxin signal transduction. Both of the families contain a similar carboxyl-terminal domain (Domain III/IV that facilitates interactions between these two families. In spite of the importance of protein-protein interactions among these transcription factors, the mechanisms involved in these interactions are largely unknown. In this study, we isolated six intragenic suppressors of an auxin insensitive mutant, Osiaa23. Among these suppressors, Osiaa23-R5 successfully rescued all the defects of the mutant. Sequence analysis revealed that an amino acid substitution occurred in the Tryptophan (W residue in Domain IV of Osiaa23. Yeast two-hybrid experiments showed that the mutation in Domain IV prevents the protein-protein interactions between Osiaa23 and OsARFs. Phylogenetic analysis revealed that the W residue is conserved in both OsIAAs and OsARFs. Next, we performed site-specific amino acid substitutions within Domain IV of OsARFs, and the conserved W in Domain IV was exchanged by Serine (S. The mutated OsARF(WSs can be released from the inhibition of Osiaa23 and maintain the transcriptional activities. Expression of OsARF(WSs in Osiaa23 mutant rescued different defects of the mutant. Our results suggest a previously unknown importance of Domain IV in both families and provide an indirect way to investigate functions of OsARFs.

  6. Interaction of arginine, lysine, and guanidine with surface residues of lysozyme: implication to protein stability.

    Science.gov (United States)

    Shah, Dhawal; Shaikh, Abdul Rajjak

    2016-01-01

    Additives are widely used to suppress aggregation of therapeutic proteins. However, the molecular mechanisms of effect of additives to stabilize proteins are still unclear. To understand this, we herein perform molecular dynamics simulations of lysozyme in the presence of three commonly used additives: arginine, lysine, and guanidine. These additives have different effects on stability of proteins and have different structures with some similarities; arginine and lysine have aliphatic side chain, while arginine has a guanidinium group. We analyze atomic contact frequencies to study the interactions of the additives with individual residues of lysozyme. Contact coefficient, quantified from contact frequencies, is helpful in analyzing the interactions with the guanidine groups as well as aliphatic side chains of arginine and lysine. Strong preference for contacts to the additives (over water) is seen for the acidic followed by polar and the aromatic residues. Further analysis suggests that the hydration layer around the protein surface is depleted more in the presence of arginine, followed by lysine and guanidine. Molecular dynamics simulations also reveal that the internal dynamics of protein, as indicated by the lifetimes of the hydrogen bonds within the protein, changes depending on the additives. Particularly, we note that the side-chain hydrogen-bonding patterns within the protein differ with the additives, with several side-chain hydrogen bonds missing in the presence of guanidine. These results collectively indicate that the aliphatic chain of arginine and lysine plays a critical role in the stabilization of the protein.

  7. (210)Pb content in natural gas pipeline residues ("black-powder") and its correlation with the chemical composition.

    Science.gov (United States)

    Godoy, José Marcus; Carvalho, Franciane; Cordilha, Aloisio; Matta, Luiz Ernesto; Godoy, Maria Luiza

    2005-01-01

    The present work was carried out to assess the (210)Pb content in "black-powder" found in pigging operations on gas pipelines in Brazil, in particular, on the Campos Basin gas pipeline. Additionally, the chemical composition of such deposits was determined and an eventual correlation with (210)Pb concentration evaluated. Typical "black-powder" generated in the natural gas pipeline from Campos Basin oilfield contains mainly iron oxide ( approximately 81%) and residual organic matter ( approximately 9%). The (210)Pb content ranges from 4.9 to 0.04k Bqkg(-1) and seems to be inversely correlated with the distance to the platforms. On the other hand, (226)Ra concentration is higher on the pipeline branch between the platform and the onshore installations. (228)Ra was only observed in few samples, in particular, in the samples with the highest (226)Ra content.

  8. RESIDUAL GAS MOTIONS IN THE INTRACLUSTER MEDIUM AND BIAS IN HYDROSTATIC MEASUREMENTS OF MASS PROFILES OF CLUSTERS

    International Nuclear Information System (INIS)

    Lau, Erwin T.; Kravtsov, Andrey V.; Nagai, Daisuke

    2009-01-01

    We present analysis of bulk and random gas motions in the intracluster medium using high-resolution Eulerian cosmological simulations of 16 simulated clusters, including both very relaxed and unrelaxed systems and spanning a virial mass range of 5 x 10 13 - 2 x 10 15 h -1 M-odot. We investigate effects of the residual subsonic gas motions on the hydrostatic estimates of mass profiles and concentrations of galaxy clusters. In agreement with previous studies, we find that the gas motions contribute up to ∼5%-15% of the total pressure support in relaxed clusters with contribution increasing with the cluster-centric radius. The fractional pressure support is higher in unrelaxed systems. This contribution would not be accounted for in hydrostatic estimates of the total mass profile and would lead to systematic underestimate of mass. We demonstrate that total mass can be recovered accurately if pressure due to gas motions measured in simulations is explicitly taken into account in the equation of hydrostatic equilibrium. Given that the underestimate of mass is increasing at larger radii, where gas is less relaxed and contribution of gas motions to pressure is larger, the total density profile derived from hydrostatic analysis is more concentrated than the true profile. This may at least partially explain some high values of concentrations of clusters estimated from hydrostatic analysis of X-ray data.

  9. A physically-motivated model describing the dynamic interactions between residual limb and socket in lower limb prostheses

    Directory of Open Access Journals (Sweden)

    Noll Veronika

    2017-03-01

    Full Text Available The amputee’s well-being and mobility are distinclty related to socket fit and resulting biomechanical interaction between residual limb and prosthetic socket. Understanding the dynamic interactions at the interface may lead to new socket standards. This paper introduces a physically-motivated reduced model of the interface, describing the dynamic interactions between residual limb and prosthetic socket. The model allows to investigate the sensitivity to changes of specific parameters in an isolated matter. A simulation study shows how stress distribution changes if friction coefficients are varied which might advance liner design.

  10. Collective excitations in an interacting boson gas beyond Bogoliubov theory

    Science.gov (United States)

    Ferrari, Loris

    2017-05-01

    In a gas of N interacting bosons, the Hamiltonian Hc, obtained by dropping all the interaction terms between free bosons with moment ℏk ≠ 0 , is diagonalized exactly. The resulting eigenstates | S , k , η 〉 depend on two discrete indices S , η = 0 , 1 , … , where η numerates the quasiphonons carrying a moment ℏk , responsible for transport or dissipation processes. S, in turn, numerates a ladder of 'vacua' | S , k , 0 〉 , with increasing equispaced energies, formed by boson pairs with opposite moment. Passing from one vacuum to another (S → S ± 1), results from creation/annihilation of new momentless collective excitations, that we call pseudobosons. Exact quasiphonons originate from one of the vacua by 'creating' an asymmetry in the number of opposite moment bosons. The well known Bogoliubov collective excitations (CEs) are shown to coincide with the exact eigenstates | 0 , k , η 〉 , i.e. with the quasiphonons (QPs) created from the lowest-level vacuum (S=0). All this is discussed, in view of existing or future experimental observations of the pseudobosons (PBs), a sort of bosonic Cooper pairs, which are the main factor of novelty beyond Bogoliubov theory.

  11. Foreword: In situ gas surface interactions: approaching realistic conditions

    Science.gov (United States)

    Lundgren, Edvin; Over, Herbert

    2008-03-01

    This special issue is devoted to the application of in situ surface-sensitive techniques in the elucidation of catalysed reactions at (model) catalyst surfaces. Both reaction intermediates and the nature of the catalytically active phase are the targets of these investigations. In situ surface science techniques are also used to study the interaction of water with surfaces under realistic conditions. Since 80% of all technical chemicals are manufactured by utilizing (heterogeneous) catalysis, scientific understanding and technological development of catalysis are of central practical importance in modern society [1]. Heterogeneously catalysed reactions take place at the gas/solid interface. Therefore one of the major topics in surface chemistry and physics is closely related to heterogeneous catalysis, with the aim of developing novel catalysts and to improve catalysts' performances on the basis of atomic scale based knowledge. Despite the economical and environmental rewards—if such a goal is achieved—and despite 40 years of intensive research, practical catalysis is still safely in a black box: the reactivity and selectivity of a catalyst are commercially still optimized on a trial and error basis, applying the high throughput screening approach. The reason for this discrepancy between ambition and reality lies in the inherent complexity of the catalytic system, consisting of the working catalyst and the interaction of the catalyst with the reactant mixture. Practical (solid) catalysts consist of metal or oxide nanoparticles which are dispersed and stabilized on a support and which may be promoted by means of additives. These particles catalyse a reaction in pressures as high as 100 bar. Practical catalysis is in general considered to be far too complex for gaining atomic-scale understanding of the mechanism of the catalysed reaction of an industrial catalyst during its operation. Therefore it has been necessary to introduce idealization and simplification of

  12. Chemical Interaction of Protein Cysteine Residues with Reactive Metabolites of Methyleugenol.

    Science.gov (United States)

    Feng, Yukun; Wang, Hui; Wang, Qian; Huang, Wenlin; Peng, Ying; Zheng, Jiang

    2017-02-20

    Methyleugenol (ME), an alkenylbenzene compound, is a natural ingredient of several herbs and is used as flavoring agent in foodstuffs and fragrance in cosmetics. The hepatotoxicity, cytotoxicity, and carcinogenesis of ME have been well documented, and metabolic activation has been suggested to involve in ME-induced toxicities. The objective of this study was to identify chemical identity of interactions of protein with reactive metabolites of ME. Modification of cysteine residues of protein was observed in microsomal incubations and mice after exposure to ME. Three types of protein modification derived from the corresponding epoxide, α,β-unsaturated aldehyde, and carbonium ion of ME were detected in vitro and in vivo. The protein adduction took place in time- and dose-dependent manners. Dexamethasone, ketoconazole, and l-buthionine sulfoximine increased the protein modification induced by ME, which was proportional to the hepatotoxicity of ME. The findings facilitate the understanding of mechanism action of ME toxicities.

  13. Attosecond pulse trains from long laser-gas interaction targets

    International Nuclear Information System (INIS)

    Hauri, C.P.; Lopez-Martens, R.; Varju, K.; Ruchon, T.; Gustafsson, E.; L'Huillier, A.

    2006-01-01

    Complete test of publication follows. Many experiments in attosecond physics require high XUV photon flux as well as a clean attosecond pulse train (APT) temporal structure. Temporal characterization of high-order harmonic generation (HHG) in long interaction targets is thus of high interest. HHG being a very inefficient process, a large effort has been made to increase the amount of XUV photons emitted per infrared laser pulse. Besides quasi phase-matching in a modulated capillary, loose driving laser focusing conditions and subsequent self-channeling have shown to significantly increase the conversion efficiency. We characterized the temporal structure of APTs generated during the self-channeling of an intense IR driving laser pulse. Our first results indicate, however, that the temporal structure of the APT generated during the HHG process might be affected by quantum path interference and spectral phase distortion due to the self-channeling process itself. In particular, our measurements show that the relative spectral phase between consecutive harmonics can strongly vary depending on the target length and the position of the laser focus with respect to the target. In general for short gas targets, no clean APT structure can be expected since the individual attosecond pulses carry significant chirp. For longer targets, however, we observe a flattening of the harmonic spectral phase, resulting in near-transform-limited attosecond pulse trains. A complete analysis of the process is complex and involves detailed knowledge of the spatial and temporal evolution of the self-channeling driver laser pulse throughout the gas target.

  14. A stochastic logical system approach to model and optimal control of cyclic variation of residual gas fraction in combustion engines

    International Nuclear Information System (INIS)

    Wu, Yuhu; Kumar, Madan; Shen, Tielong

    2016-01-01

    Highlights: • An in-cylinder pressure based measuring method for the RGF is derived. • A stochastic logical dynamical model is proposed to represent the transient behavior of the RGF. • The receding horizon controller is designed to reduce the variance of the RGF. • The effectiveness of the proposed model and control approach is validated by the experimental evidence. - Abstract: In four stroke internal combustion engines, residual gas from the previous cycle is an important factor influencing the combustion quality of the current cycle, and the residual gas fraction (RGF) is a popular index to monitor the influence of residual gas. This paper investigates the cycle-to-cycle transient behavior of the RGF in the view of systems theory and proposes a multi-valued logic-based control strategy for attenuation of RGF fluctuation. First, an in-cylinder pressure sensor-based method for measuring the RGF is provided by following the physics of the in-cylinder transient state of four-stroke internal combustion engines. Then, the stochastic property of the RGF is examined based on statistical data obtained by conducting experiments on a full-scale gasoline engine test bench. Based on the observation of the examination, a stochastic logical transient model is proposed to represent the cycle-to-cycle transient behavior of the RGF, and with the model an optimal feedback control law, which targets on rejection of the RGF fluctuation, is derived in the framework of stochastic logical system theory. Finally, experimental results are demonstrated to show the effectiveness of the proposed model and the control strategy.

  15. Determination of 86 Pesticide Residues in Leafy Vegetables using gas Chromatography Mass Spectrometry

    OpenAIRE

    , M. T. Selim; , I. Al-Dossary

    2016-01-01

    A multiresidue method is described for detection and determination of 86 compounds of pesticide residues which commonly used in the pest control programs for crop protection. Good sensitivity and selectivity of the method are obtained with limits of quantiŞcation 0.01 mg/kg in almost all cases. The method was applied very satisfactorily to routine analysis as a complement to traditional GC-MS method and Şnally, limit of detection were also 10-20 times lower than maximum residue levels (MRL) e...

  16. Energy and greenhouse gas balance of the use of forest residues for bioenergy production in the UK

    International Nuclear Information System (INIS)

    Whittaker, Carly; Mortimer, Nigel; Murphy, Richard; Matthews, Robert

    2011-01-01

    Life cycle analysis is used to assess the energy requirements and greenhouse gas (GHG) emissions associated with extracting UK forest harvesting residues for use as a biomass resource. Three forest harvesting residues were examined (whole tree thinnings, roundwood and brash bales), and each have their own energy and emission profile. The whole forest rotation was examined, including original site establishment, forest road construction, biomass harvesting during thinning and final clear-fell events, chipping and transportation. Generally, higher yielding sites give lower GHG emissions per ‘oven dried tonne’ (ODT) forest residues, but GHG emissions ‘per hectare’ are higher as more biomass is extracted. Greater quantities of biomass, however, ultimately mean greater displacement of conventional fuels and therefore greater potential for GHG emission mitigation. Although forest road construction and site establishment are “one off” events they are highly energy-intensive operations associated with high diesel fuel consumption, when placed in context with the full forest rotation, however, their relative contributions to the overall energy requirements and GHG emissions are small. The lower bulk density of wood chips means that transportation energy requirements and GHG emissions are higher compared with roundwood logs and brash bales, suggesting that chipping should occur near the end-user of application. -- Highlights: ► GHGs and fuel consumption assessed for UK clear-fell conifer forest residues. ► Energy use and GHG emissions for forest road construction characterised. ► Lower energy requirements and GHG emissions per ODT for higher yielding sites. ► Transport energy and GHG emissions higher for wood chip than roundwood or brash bales. ► Results useful in predicting GHG mitigation potential from UK commercial conifer forest residues.

  17. JV Task 5 - Evaluation of Residual Oil Fly Ash As A Mercury Sorbent For Coal Combustion Flue Gas

    Energy Technology Data Exchange (ETDEWEB)

    Robert Patton

    2006-12-31

    The mercury adsorption capacity of a residual oil fly ash (ROFA) sample collected form Florida Power and Light Company's Port Everglades Power Plant was evaluated using a bituminous coal combustion flue gas simulator and fixed-bed testing protocol. A size-segregated (>38 {micro}g) fraction of ROFA was ground to a fine powder and brominated to potentially enhance mercury capture. The ROFA and brominated-ROFA were ineffective in capturing or oxidizing the Hg{sup 0} present in a simulated bituminous coal combustion flue gas. In contrast, a commercially available DARCO{reg_sign} FGD initially adsorbed Hg{sup 0} for about an hour and then catalyzed Hg{sup 0} oxidation to produce Hg{sup 2+}. Apparently, the unburned carbon in ROFA needs to be more rigorously activated in order for it to effectively capture and/or oxidize Hg{sup 0}.

  18. Acoustical gas-leak detection in the presence of multiple reflections, dispersion, and uncorrelated noise using optimized residual complexity.

    Science.gov (United States)

    Ahmadi, A M; Amjadi, A; Bahrampour, A R; Ravanbod, H; Tofighi, S

    2016-09-01

    Precise acoustical leak detection calls for robust time-delay estimates, which minimize the probability of false alarms in the face of dispersive propagation, multiple reflections, and uncorrelated background noise. Providing evidence that higher order modes and multi-reflected signals behave like sets of correlated noise, this work uses a regression model to optimize residual complexity in the presence of both correlated and uncorrelated noise. This optimized residual complexity (ORC) is highly robust since it takes into account both the level and complexity of noise. The lower complexity of the dispersive modes and multiple reflections, compared to the complexity of the plane mode, points to the robustness of ORC against multiple reflections and dispersion. Experimental investigations using recorded sounds of gas leaking from a pipe confirm the robustness of ORC against multiple reflections. Numerical simulations also show robustness against dispersive modes, even when they disturb the linearity of the cross-spectrum phase. Comparisons with other methods-mutual information, cross correlation, and residual complexity-underline the general advantages of ORC in terms of robustness in the presence of reflection and dispersion, against both correlated and uncorrelated noise, and to short signals.

  19. Simultaneous determination of organochlorine and pyrethriod pesticide residues in the Chinese patent medicines by gas chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Mao, Xue J; Zhong, Yao; Yan, Ai P; Wang, Bin; Wang, Yuan X; Wan, Yi Q

    2018-02-01

    A simple, sensitive, reliable method was developed for the simultaneous determination of organochlorine and pyrethriod pesticide residues in Chinese patent medicines Six ingredient rehmannia pills and Xiaoyao pills. These pesticides were extracted by ethyl acetate. The extraction time and volume of ethyl acetate were optimized. Cleanup of extracts was performed with dispersive-solid phase extraction using graphitized carbon black as the sorbent. The determination of pesticides in the final extracts was carried out by gas chromatography-tandem mass spectrometry in multiple reaction monitoring mode (GC-MS/MS, MRM). The linearity of the calibration curves is good in matrix-matched standard and yields the coefficients of determination (R 2 ) ≥0.99 for all of the target analytes. Under optimized conditions, the average recoveries (five replicates) for most pesticides range from 75.5% to 114.6%, and RSDs are less than 10.0%. The LODs of 18 pesticides in Six ingredient rehmannia pill and Xiaoyao pills are in the range of 0.01-8.82 μg kg -1 . The developed method meets the requirements of pesticide residue analysis and could be effectively used for routine analysis of the organochlorine and pyrethriod pesticide residues in Six ingredient rehmannia pills and Xiaoyao pills.

  20. The effects of rape residue mulching on net global warming potential and greenhouse gas intensity from no-tillage paddy fields.

    Science.gov (United States)

    Zhang, Zhi-Sheng; Cao, Cou-Gui; Guo, Li-Jin; Li, Cheng-Fang

    2014-01-01

    A field experiment was conducted to provide a complete greenhouse gas (GHG) accounting for global warming potential (GWP), net GWP, and greenhouse gas intensity (GHGI) from no-tillage (NT) paddy fields with different amounts of oilseed rape residue mulch (0, 3000, 4000, and 6000 kg dry matter (DM) ha(-1)) during a rice-growing season after 3 years of oilseed rape-rice cultivation. Residue mulching treatments showed significantly more organic carbon (C) density for the 0-20 cm soil layer at harvesting than no residue treatment. During a rice-growing season, residue mulching treatments sequestered significantly more organic C from 687 kg C ha(-1) season(-1) to 1654 kg C ha(-1) season(-1) than no residue treatment. Residue mulching significantly increased emissions of CO2 and N2O but decreased CH4 emissions. Residue mulching treatments significantly increased GWP by 9-30% but significantly decreased net GWP by 33-71% and GHGI by 35-72% relative to no residue treatment. These results suggest that agricultural economic viability and GHG mitigation can be achieved simultaneously by residue mulching on NT paddy fields in central China.

  1. The Effects of Rape Residue Mulching on Net Global Warming Potential and Greenhouse Gas Intensity from No-Tillage Paddy Fields

    Science.gov (United States)

    Zhang, Zhi-Sheng; Cao, Cou-Gui; Guo, Li-Jin; Li, Cheng-Fang

    2014-01-01

    A field experiment was conducted to provide a complete greenhouse gas (GHG) accounting for global warming potential (GWP), net GWP, and greenhouse gas intensity (GHGI) from no-tillage (NT) paddy fields with different amounts of oilseed rape residue mulch (0, 3000, 4000, and 6000 kg dry matter (DM) ha−1) during a rice-growing season after 3 years of oilseed rape-rice cultivation. Residue mulching treatments showed significantly more organic carbon (C) density for the 0–20 cm soil layer at harvesting than no residue treatment. During a rice-growing season, residue mulching treatments sequestered significantly more organic C from 687 kg C ha−1 season−1 to 1654 kg C ha−1 season−1 than no residue treatment. Residue mulching significantly increased emissions of CO2 and N2O but decreased CH4 emissions. Residue mulching treatments significantly increased GWP by 9–30% but significantly decreased net GWP by 33–71% and GHGI by 35–72% relative to no residue treatment. These results suggest that agricultural economic viability and GHG mitigation can be achieved simultaneously by residue mulching on NT paddy fields in central China. PMID:25140329

  2. Technology on In-Situ Gas Generation to Recover Residual Oil Reserves

    Energy Technology Data Exchange (ETDEWEB)

    Sayavur Bakhtiyarov

    2008-02-29

    This final technical report covers the period October 1, 1995 to February 29, 2008. This chapter begins with an overview of the history of Enhanced Oil Recovery techniques and specifically, CO2 flood. Subsequent chapters conform to the manner consistent with the Activities, Tasks, and Sub-tasks of the project as originally provided in Exhibit C1 in the Project Management Plan dated September 20, 1995. These chapters summarize the objectives, status and conclusions of the major project activities performed during the project period. The report concludes by describing technology transfer activities stemming from the project and providing a reference list of all publications of original research work generated by the project team or by others regarding this project. The overall objective of this project was a final research and development in the United States a technology that was developed at the Institute for Geology and Development of Fossil Fuels in Moscow, Russia. Before the technology can be convincingly adopted by United States oil and gas producers, the laboratory research was conducted at Mew Mexico Institute of Mining and Technology. The experimental studies were conducted to measure the volume and the pressure of the CO{sub 2} gas generated according to the new Russian technology. Two experimental devices were designed, built and used at New Mexico Tech facilities for these purposes. The designed setup allowed initiating and controlling the reaction between the 'gas-yielding' (GY) and 'gas-forming' (GF) agents proposed by Russian technology. The temperature was controlled, and the generated gas pressure and volume were recorded during the reaction process. Additionally, the effect of surfactant addition on the effectiveness of the process was studied. An alternative GY reactant was tested in order to increase the efficiency of the CO2 gas generation process. The slim tube and the core flood experimental studies were conducted to define

  3. Evaluation of gas chromatography – electron ionization – full scan high resolution Orbitrap mass spectrometry for pesticide residue analysis

    Energy Technology Data Exchange (ETDEWEB)

    Mol, Hans G.J., E-mail: hans.mol@wur.nl; Tienstra, Marc; Zomer, Paul

    2016-09-07

    Gas chromatography with electron ionization and full scan high resolution mass spectrometry with an Orbitrap mass analyzer (GC-EI-full scan Orbitrap HRMS) was evaluated for residue analysis. Pesticides in fruit and vegetables were taken as an example application. The relevant aspects for GC-MS based residue analysis, including the resolving power (15,000 to 120,000 FWHM at m/z 200), scan rate, dynamic range, selectivity, sensitivity, analyte identification, and utility of existing EI-libraries, are assessed and discussed in detail. The optimum acquisition conditions in full scan mode (m/z 50–500) were a resolving power of 60,000 and an automatic-gain-control target value of 3E6. These conditions provided (i) an optimum mass accuracy: within 2 ppm over a wide concentration range, with/without matrix, enabling the use of ±5 ppm mass extraction windows (ii) adequate scan speed: minimum 12 scans/peak, (iii) an intra-scan dynamic range sufficient to achieve LOD/LOQs ≤0.5 pg in fruit/vegetable matrices (corresponding to ≤0.5 μg kg{sup −1}) for most pesticides. EI-Orbitrap spectra were consistent over a very wide concentration range (5 orders) with good match values against NIST (EI-quadrupole) spectra. The applicability for quantitative residue analysis was verified by validation of 54 pesticides in three matrices (tomato, leek, orange) at 10 and 50 μg/kg. The method involved a QuEChERS-based extraction with a solvent switch into iso-octane, and 1 μL hot splitless injection into the GC-HRMS system. A recovery between 70 and 120% and a repeatability RSD <10% was obtained in most cases. Linearity was demonstrated for the range ≤5–250 μg kg{sup −1}. The pesticides could be identified according to the applicable EU criteria for GC-HRMS (SANTE/11945/2015). GC-EI-full scan Orbitrap HRMS was found to be highly suited for quantitative pesticide residue analysis. The potential of qualitative screening to extend the scope makes it an attractive

  4. Determination of daminozide residues in apples using gas chromatography with nitrogen-phosphorus detection

    NARCIS (Netherlands)

    Brinkman, J.H.W.; Dijk, A.G. van; Wagenaar, R.; Quirijns, J.K.

    1996-01-01

    A method was developed for the determination of daminozide in apples using gas chromatography (GC) with nitrogen-phosphorus detection (NPD). Daminozide is hydrolysed to 1,1-dimethylhydrazine (UDMH) by alkaline digestion. The UDMH generated is distilled from the apple matrix, derivatized with

  5. Conversion of forest residues to a clean gas for fuel or synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Feldmann, H.F.; Liu, K.T.; Longanbach, J.R.; Curran, L.M.; Chauhan, S.P.

    1979-01-01

    A program is described for developing a gasification system specifically for wood and other biomass materials which allows greatly increased gasifier throughputs and direct catalysis of wood. Wood ash, which is a by-product of a wood gasification plant, can be used as a gasification catalyst for wood, as it increases gasification rates and promotes the water-gas shift reaction. The high reactivity of even uncatalyzed biomass allows the potential of very high gasifier throughputs. However, the achievement of this potential requires that the gasifier operate at gas velocities higher than those attainable in conventional reactor systems. Stable and very smooth fluidization with uniform mixing and distribution of chips throughout the bed was observed on addition of an entrained sand phase to a fluidized bed of alumina and wood chips. Economc feasibility studies based on utilization of a proprietary Battelle gasification system which utilizes an entrained-phase heat carrier indicated that an intermediate-Btu gas can be produced in 1000 ton/day plants at a price competitive with liquefied natural gas and No. 2 heating oil.

  6. Computational design, construction, and characterization of a set of specificity determining residues in protein-protein interactions.

    Science.gov (United States)

    Nagao, Chioko; Izako, Nozomi; Soga, Shinji; Khan, Samia Haseeb; Kawabata, Shigeki; Shirai, Hiroki; Mizuguchi, Kenji

    2012-10-01

    Proteins interact with different partners to perform different functions and it is important to elucidate the determinants of partner specificity in protein complex formation. Although methods for detecting specificity determining positions have been developed previously, direct experimental evidence for these amino acid residues is scarce, and the lack of information has prevented further computational studies. In this article, we constructed a dataset that is likely to exhibit specificity in protein complex formation, based on available crystal structures and several intuitive ideas about interaction profiles and functional subclasses. We then defined a "structure-based specificity determining position (sbSDP)" as a set of equivalent residues in a protein family showing a large variation in their interaction energy with different partners. We investigated sequence and structural features of sbSDPs and demonstrated that their amino acid propensities significantly differed from those of other interacting residues and that the importance of many of these residues for determining specificity had been verified experimentally. Copyright © 2012 Wiley Periodicals, Inc.

  7. Pyrolysis Gas as a Renewable Reducing Agent for the Recycling of Zinc- and Lead-Bearing Residues: A Status Report

    Science.gov (United States)

    Pichler, C.; Antrekowitsch, J.

    2017-04-01

    The topic "Zero Waste" has been in existence for several years in the industry, and the metallurgical industry has also made efforts to reduce the amounts of residues occurring and have started several investigations to cut down on metallurgical by-products which have to be landfilled. Especially, the additional costs for CO2 emissions in different metallurgical steps have led to investigations into alternative carbon carriers. Charcoal has been identified to serve as an ideal substitute due its CO2-neutrality. For the applications of this renewable carbon carrier in metallurgical processes, charcoal production by means of a carbonization process needs to be optimized. As a by-product during the heating of agricultural wastes or wood by excluding air, pyrolysis gas occurs. Due to the existence of combustible compounds in this gas, an application as a reduction agent instead of fossil carbon carriers in metallurgy is possible. Based on the prevention of dumping metallurgical by-products, an investigation has been developed to treat zinc- and lead-containing materials. To realize this, a dedicated process concept has been designed and developed. As the main focuses, the usage of the pyrolysis gas from charcoal production for the Waelz kiln process and the recycling of zinc- and lead-containing Waelz slag, resulting from the processing of steel mill dust in a vertical retort, have to be mentioned. Within this research, the process concept was executed from laboratory-scale up to pilot-scale testing, described in this article.

  8. Natural gas storage - end user interaction task 6

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-05-01

    New opportunities have been created for underground gas storage as a result of recent regulatory developments in the energy industry. The Federal Energy Regulatory Commission (FERC) Order 636 directly changed the economics of gas storage nationwide. Pipelines have been required to {open_quotes}unbundle{close_quotes} their various services so that pipeline users can select only what they need from among the transportation, storage, balancing and the other traditional pipeline services. At the same time, the shift from Modified Fixed Variable (MFV) rate design to Straight Fixed Variable (SFV) rate design has increased the costs of pipeline capacity relative to underground storage and other supply options. Finally, the ability of parties that have contracted for pipeline and storage services to resell their surplus capacities created by Order 636 gives potential gas users more flexibility in assembling combinations of gas delivery services to create reliable gas deliverability. In response to Order 636, the last two years have seen an explosion in proposals for gas storage projects. This paper describes the market for natural gas storage.

  9. Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

    Science.gov (United States)

    Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.

    2018-03-01

    Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.

  10. Interactions of C+(2 PJ ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients.

    Science.gov (United States)

    Tuttle, William D; Thorington, Rebecca L; Viehland, Larry A; Breckenridge, W H; Wright, Timothy G

    2018-03-13

    Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C + , with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C + ( 2 P ) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2 Π and 2 Σ + Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C + electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C + -RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C + in RG, and the results were compared with the limited available data.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

  11. Conversion of forest residues to a methane-rich gas: Interim Report

    Energy Technology Data Exchange (ETDEWEB)

    Feldmann, H.G.; Paisley, M.A.; Appelbaum, H.R.

    1986-03-01

    A process is being developed that produces a fuel gas with a heating value of 500 Btu/SCF from diverse forms of biomass, including shredded bark, wood chips, and sawdust. The system uses a high throughput, non-oxygen gasifier that employs sand circulation to supply process heat. Results obtained with a 10-inch I.D. gasifier are presented and compared with those in a 6-inch I.D. reactor. Feed rates up to 12 tons/day (dry) have been achieved corresponding to a specific wood throughput of 2000 lbs/ft/sup 2/-hr. Gas compositions in the two reactors are in excellent agreement and performance in the larger reactor, as measured by carbon conversion, is significantly improved. Cost projections comparing this process with direct combustion are presented that indicate gasification technology should have very significant cost advantages for both generation of plant steam and cogeneration of electricity. 5 refs., 14 figs., 5 tabs.

  12. Microwave interaction with nonuniform hydrogen gas in carbon nanotubes

    International Nuclear Information System (INIS)

    Babaei, S.; Babaei, Sh.

    2009-01-01

    In this paper we study the reflection, absorption, and transmission of microwave from nonuniform hydrogen gas in carbon nanotubes, grown by iron-catalyzed high-pressure carbon monoxide disproportionate (HiPco) process. A discussion on the effect of various hydrogen gas parameters on the reflected power, absorbed power, and transmitted power is presented. The nonuniform hydrogen gas slab is modeled by a series of subslabs. The overall number density profile across the whole slab follows a parabolic function. The total reflected, absorbed, and transmitted powers are then deduced and their functional dependence on the number density, collision frequency, and angle of propagation is studied

  13. A Vapor Challenge Method of Measuring the Residual Life of Gas Filters

    Science.gov (United States)

    1990-08-01

    reaction with chromium complexes . Protection against these gases is so effective that these gases are no longer used in gas warfare; however...To do otherwise, would increase the complexity of the test, and provide a less direct measurement of filter performance under actual operation. Second...detected by colorimetric reactions with: * chromotropic acid; 6 J-acid; 0 metal precipitation from nickel dimethylglyoxime ; or 0 metal precipitation from

  14. Weakly interacting Bose gas in the one-dimensional limit

    DEFF Research Database (Denmark)

    Krüger, Peter; Hofferberth, S.; Mazets, I. E.

    2010-01-01

    (transverse oscillator eigenfrequency ω) when collisional thermalization slows down as expected in 1D. At the lowest temperatures the transverse-momentum distribution exhibits a residual dependence on the line density n1D, characteristic for 1D systems. For very low densities the approach to the transverse single......-particle ground state is linear in n 1D....

  15. Simultaneous determination of lincomycin and spectinomycin residues in animal tissues by gas chromatography-nitrogen phosphorus detection and gas chromatography-mass spectrometry with accelerated solvent extraction.

    Science.gov (United States)

    Tao, Y; Chen, D; Yu, G; Yu, H; Pan, Y; Wang, Y; Huang, L; Yuan, Z

    2011-02-01

    A new multi-dimensional analytical method using gas chromatography-nitrogen phosphorus detection (GC-NPD) and gas chromatography-mass spectrometry (GC-MS) was developed for qualitative and quantitative measurement of lincomycin and spectinomycin residues in food animal tissues. This method is based on a new extraction procedure using accelerated solvent extraction (ASE). The analytes were extracted by phosphate buffer with trichloroacetic acid deproteinization and clean-up by C₁₈ solid-phase extraction (SPE) adding dodecanesulfonic acid sodium salt as an ion-pair reagent. The eluted fraction was evaporated and derivatised with N,O-bis(trimethylsilyl) trifluoroacetamide (BSTFA) for GC-NPD analysis and GC-MS confirmation. Parameters for extraction pressure, temperature and cycle of ASE, clean-up, derivatisation and analysis procedure were optimised. The method was validated in muscle, kidney and liver of swine, bovine with a low concentration (limit of quantification) of 16.4 and 21.4 µg kg⁻¹ for these two analytes using GC-NPD. For GC-MS, the limits of quantification were 4.1 and 5.6 µg kg⁻¹, respectively. Spiked recoveries from levels of 20 to 200 µg kg⁻¹ were found to be between 73% and 99% with a relative standard deviation (RSD) of less than 17% in GC-NPD. For GC-MS, levels from 5 to 20 µg kg⁻¹ had between 70% and 93% with an RSD of less than 21%. This rapid and reliable method can be used for the characterisation and quantification of residues of lincomycin and spectinomycin in animal tissues.

  16. [Analysis of residues of organochlorine compounds in plant drugs. 3. Identification of residues of polychlorobiphenyl compounds by comparison of gas chromatography on packed and capillary columns and GCMS coupling].

    Science.gov (United States)

    Benecke, R; Brotka, J; Wijsbeek, J; Franke, J P; Bruins, A P; de Zeeuw, R A

    1988-02-01

    The identification of residues of polychlorinated biphenyls in a test sample of Flores Chamomillae could be achieved by the retention behavior at gas chromatographic analyses on packed and capillary columns compared with reference standard Clophen A 60, respectively as well as well by capillary GC/MS using single ion monitoring of substance-characteristic ion mass.

  17. Study of radiolytic effect on residual ethylene oxide in perfusion devices for single use by using gas chromatography

    International Nuclear Information System (INIS)

    Wang Mingsuo; Teng Weifang; Liu Keliang; Feng Jixin; Su Liaoyuan

    1993-01-01

    The efficiency of the 60 Co γ-rays irradiation induced elimination reaction of residual ethylene oxide (RETO) in the perfusion devices for single use conducted with RETO gas chromatography has been studied. The observations show: 1. the splinting reaction of RETO absorbed by the infusion sets after ethylene oxide (ETO) sterilization occurred accompanied with 4 kGy irradiation, therefore the relative elimination percentage (RELP) calculated from RETO is over 90%. 2. the optimum radiation conditions are as following irradiation dose 4 kGy, dose rate 8 Gy/min, irradiation temperature 20 degree C. 3. the RETO content within medical infusion sets at 2 weeks storing time after radiation was probably controlled under 2.0 ppm. 4. the radiation chemistry mechanism of the RETO elimination reaction is discussed in relation to the primary and secondary actions of elimination reaction

  18. Multi-Residue Analysis of Pesticides in Pistachio Using Gas Chromatography-Mass Spectrometry (GC/MS

    Directory of Open Access Journals (Sweden)

    Azadeh Emami

    2014-12-01

    Full Text Available Background: Analysis of pesticide residues in food and other environmental commodities have become an essential requirement for consumers, producers, food inspectors and authorities. This study is focused on validation of an accurate, rapid and reliable method for multi-residual analysis of pesticides in pistachio as a strategic crop for export and one of the main nuts in Iranian food basket. Methods: We developed a "Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS method based on spiking blank samples and used the data for drawing calibration curves instead of standard solutions. Sample preparations were developed for determination of 12 pesticide residues in pistachio by gas chromatography-mass spectrometry (GC/MS. Results: Recovery of pesticides at 5 concentration levels (n=3 was in the range of 81.40% - 93.08 %. The method proved to be repeatable in the majority of samples with relative standard deviation (RSD of lower than 20%. The limits of detection and quantification for all pesticides were 2 ppb and 10 ppb, respectively. Conclusion: The calibration curves of pesticides were linear in the range of 10-500 (ng/g and correlation coefficient of entire pesticides was higher than 0.994. The recovery of pesticides at 5 concentration levels (n=3 was in range of 81.41- 91.80 %. The method was proved to be repeatable with the majority of RSDs being lower than 20%. The limits of detection and quantification for all pesticides were 2 and 10 ppb, respectively. The recoveries and repeatabilities were in accordance with the criteria set by SANCO Guideline (Commission of the European Communities, 2006.

  19. Validation of a new analytical procedure for determination of residual solvents in [{sup 18}F]FDG by gas chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Flávia M.; Costa, Cassiano L.S.; Silva, Juliana B.; Ferreira, Soraya M.Z.M.D., E-mail: flaviabiomedica@yahoo.com.br [Centro de Desenvolvimento da Tecnologia Nuclear (UPPR/CDTN/CNEN-MG), Belo Horizonte, MG (Brazil). Unidade de Pesquisa e Produção de Radiofármacos

    2017-07-01

    Fludeoxyglucose F 18 ([{sup 18}F]FDG) is the most used radiopharmaceutical for positron emission tomography, especially on oncology. Organic solvents such as ether, ethanol and acetonitrile might be used in the synthesis of [{sup 18}F]FDG; however, they might not be completely removed during purification steps. The determination of residual solvents in [{sup 18}F]FDG is required in the European Pharmacopoeia (EP) and the United States Pharmacopeia (USP) monographs. While the procedure described in the EP is quite general, the one described in the USP requires a long runtime (about 13 minutes). In this work a simple and fast (4-minute) analytical procedure was developed and validated for determination of residual solvents in [{sup 18}F]FDG. Analyses were carried out in a Perkin Elmer gas chromatograph equipped with a flame ionization detector. The separation was obtained on a 0.53-mm x 30 m fused-silica column. Validation included the evaluation of various parameters, such as: specificity, linearity and range, limits of detection and quantitation, precision (repeatability and intermediate precision), accuracy, and robustness. Results were found to be within acceptable limits, indicating the developed procedure is suitable for its intended application. Considering the short half-life of fluorine-18 (109.7 minutes), this new method could be a valuable alternative for routine quality control of [{sup 18}F]FDG. (author)

  20. Gas Chromatographic Method: Tool for Rapid and Sensitive Analysis of Residual Solvents in Amoxicillin and Ampicillin Tablets

    Directory of Open Access Journals (Sweden)

    Sk Manirul Haque

    2015-12-01

    Full Text Available A simple and sensitive static head space gas chromatographic (SH-GC method equipped with FID has been developed and validated for simultaneous determination of residual solvents e.g.,  methanol, dichloromethane and toluene in two therapeutic drugs such as amoxicillin  and ampicillin. The separation was achieved with 30 m long Elite - 5 fused silica capillary column and 0.32 mm inner diameter. The developed SH-GC method offered symmetric peak shape, good resolution and reasonable retention time for all the solvents. Beer’s law was obeyed in the concentration ranges 100 – 1200, 50 – 1000 and 50 – 500 ppm for methanol, dichloromethane and toluene, respectively. The method was validated according to international conference on harmonization (ICH guidelines in terms of specificity, linearity, precision, accuracy, limit of detection, limit of quantitation, robustness and solution stability. The degrees of linearity of the calibration curves, the percent recoveries, relative standard deviation for the method were also determined. All the validation parameters were within the acceptable range. The developed SH-GC method could, therefore, be suitable for simple and rapid detection of trace levels residual solvents in other pharmaceutical products and thereby it could be used for routine analysis in any analytical laboratory.

  1. The Continuation Study of the Measurement of Residual Monomer from theDenture Base After Three Month Worn by Gas Chromatography on the Radiationand Non Radiation Worker

    International Nuclear Information System (INIS)

    Isyuniarto; Winoto

    2000-01-01

    Residual monomer measurement on the radiation and non radiation workerafter three month worn the denture has been done. The aim of the research isto investigated residual monomer concentration on after three month worn. Thedenture base material, made of resin acrylic, sometimes is cause mucosairritation in the mouth, and dental irritation or allergic reaction, becauseof residual monomer that left on the mouth cavity. In this research two groupwere needed there are the radiation and non radiation worker, the level ofthe residual monomer count by gas chromatography analysis. The result of thisresearch showed that the level of residual monomer of two group are same orthere have same level of the limit value. The measurement result is in therange of 0.1783 ± 0.011 mg/l to 0.1790 ± 0.004 mg/l. (author)

  2. Interactive effects of rice residue and water stress on growth and metabolism of wheat seedlings

    Directory of Open Access Journals (Sweden)

    Nimisha Amist

    2014-08-01

    Full Text Available In the present study effects of rice residue with and without water stress were studied on Triticum aestivum L. cv. Shatabadi. The mixture of residue and garden soil in 1:1 ratio was considered as 50% (R1 and only decomposed residue as 100% (R2. Garden soil was taken as control. Twenty five seeds were sown in each experimental trays filled with soil mixture according to the treatments. Trays were arranged in two groups. After 15 days one set was subjected to water stress (WS by withholding water supply for 3 days. Morphological and biochemical parameters of 18 days old seedlings were recorded. Seedling height decreased in all treatments. A gradual decrease in relative water content, pigment and protein contents of wheat seedlings were observed. Sugar and proline contents increased in treatments. An increase in malondialdehyde (MDA content and antioxidative enzyme activities was recorded. Elevation in catalase activity was observed in all treatments except in plants with water deficit. Ascorbate peroxidase (APX and guaiacol peroxidase (GPX activities increased when residue mixed with soil but decreased in seedlings under the combined influence of the residue and water stress. Higher amount of MDA and lower activities of APX and GPX reflected the oxidative damage in seedlings under combined treatments. Rice residue inhibited growth of wheat seedlings. Water stress intensified the effects of residue.

  3. Residual gas entering high density hydrogen plasma: rarefaction due to rapid heating

    NARCIS (Netherlands)

    N. den Harder,; D.C. Schram,; W. J. Goedheer,; de Blank, H. J.; M. C. M. van de Sanden,; van Rooij, G. J.

    2015-01-01

    The interaction of background molecular hydrogen with magnetized (0.4 T) high density (1–5 × 10 20  m −3 ) low temperature (∼3 eV) hydrogen plasma was inferred from the Fulcher band emission in the linear plasma generator Pilot-PSI. In the plasma center,

  4. Dust-gas interaction deduced from Halley multicolour camera observations

    International Nuclear Information System (INIS)

    Huebner, W.F.; Delamere, W.A.; Keller, H.U.; Reitsema, H.J.; Schmidt, H.U.; Whipple, F.L.; Wilhelm, K.

    1986-01-01

    The dust and gas productions of Comet Halley were measured by the dust counter and the mass spectrometers on the Giotto spacecraft. These instruments give only little information about the spatial asymmetry of the activity. The asymmetry in the dust production is clearly evident from the dust jets seen in the Halley Multicolour Camera images. Since the dust is entrained by the gas, production must be similarly asymmetric. The intensity profiles along and across several dust jets are related to their source regions on the nucleus. Properties of the dust jets are investigated. A few compact, but highly active source regions on the nucleus produce most of the visible dust and can account for most of the gas produced by the comet. 2 refs

  5. The YEATS family member GAS41 interacts with the general transcription factor TFIIF

    Directory of Open Access Journals (Sweden)

    Ruggieri Alessia

    2010-07-01

    Full Text Available Abstract Background In eukaryotes the transcription initiation by RNA polymerase II requires numerous general and regulatory factors including general transcription factors. The general transcription factor TFIIF controls the activity of the RNA polymerase II both at the initiation and elongation stages. The glioma amplified sequence 41 (GAS41 has been associated with TFIIF via its YEATS domain. Results Using GST pull-down assays, we demonstrated that GAS41 binds to both, the small subunit (RAP30 and the large subunit (RAP74 of TFIIF in vitro. The in vivo interaction of GAS41 and endogenous RAP30 and RAP74 was confirmed by co-immunoprecipitation. GAS41 binds to two non-overlapping regions of the C-terminus of RAP30. There is also an ionic component to the binding between GAS41 and RAP30. There was no evidence for a direct interaction between GAS41 and TBP or between GAS41 and RNA polymerase II. Conclusions Our results demonstrate binding between endogenous GAS41 and the endogenous TFIIF subunits (RAP30 and RAP74. Since we did not find evidence for a binding of GAS41 to TBP or RNA polymerase II, GAS41 seems to preferentially bind to TFIIF. GAS41 that does not contain a DNA-binding domain appears to be a co-factor of TFIIF.

  6. Rapid gas chromatographic method for the determination of famoxadone, trifloxystrobin and fenhexamid residues in tomato, grape and wine samples.

    Science.gov (United States)

    Likas, D T; Tsiropoulos, N G; Miliadis, G E

    2007-05-25

    Trifloxystrobin, fenhexamid and famoxadone belong to the generation of fungicides acting against a broad spectrum of fungi and widely used in Integrated Pest Management strategies in different agricultural crops but mainly in viticulture. In the present work, a gas chromatographic (GC) method for their determination was developed and validated on tomato, grape and wine matrices. The method was based on a simple one step liquid-liquid microextraction with cyclohexane/dichloromethane (9+1, v/v) and determination of fungicides by gas chromatography with nitrogen phosphorous (NP-) and electron capture (EC-) detection, and ion trap mass spectrometry (ITMS) for confirmation. The method was validated by recovery experiments, assessment of matrix effect and calculation of the associated uncertainty. Recoveries for GC-NPD and GC-ECD were found in the range of 81-102% with RSD NPD, respectively, depending on the sensitivity of each compound with trifloxystrobin being the most sensitive. The expanded uncertainty, calculated for a sample concentration of 0.10 mg/kg, ranged from 4.8 to 13% for the GC-ECD and from 5.4 to 29% for the GC-NPD. The concentration levels for famoxadone residues found in tomato and grape samples from field experiments were clearly below the EU established MRL values, thus causing no problems in terms of food safety.

  7. Gas chromatographic determination of residual hydrazine and morpholine in boiler feed water and steam condensates

    International Nuclear Information System (INIS)

    Vatsala, S.; Bansal, V.; Tuli, D.K.; Rai, M.M.; Jain, S.K.; Srivastava, S.P.; Bhatnagar, A.K.

    1994-01-01

    Hydrazine, an oxygen scavenger in boiler water, was derivatised to the corresponding acetone azine and determined at the ng ml -1 level by gas chromatography. Morpholine, a corrosion inhibitor used in steam boilers, was estimated either directly (if >2.0 μg ml -1 ) or by quantitative preconcentration (0.1 ng-2.0 μg ml -1 ). To obtain symmetrical peaks for these amines, the column packing was coated with KOH. Use of a nitrogen-specific detector improved accuracy of estimation of hydrazine and morpholine, giving a RSD of 1.9-3.6%. Chromatographic analysis of these amines in boiler feed water and steam condensate samples collected from boilers servicing a pertroleum refinery is described. Environmental safety regulations calls for monitoring of hydrazine and the methods developed can easily be adapted for this purpose. (orig.)

  8. Key residues involved in the interaction between Cydia pomonella pheromone binding protein 1 (CpomPBP1) and Codlemone.

    Science.gov (United States)

    Tian, Zhen; Liu, Jiyuan; Zhang, Ya-Lin

    2016-10-06

    Codlemone exhibited high affinity to CpomPBP1, studying their binding mode can provide insights into the rational design of active semiochemicals. Our findings suggested that residues including Phe12, Phe36, Trp37, Ile52, Ile 94, Ala115 and Phe118 were favorable to the binding of Codlemone to CpomPBP1, whereas residues providing unfavorable contributions like Ser56 were negative to the binding. Van der waals energy and electrostatic energy, mainly derived from the sidechains of favorable residues, contributed most in the formation and stability keeping of CpomPBP1-Codlemone complex. Of the residues involved in the interaction between CpomPBP1 and Codlemone, Phe12 and Trp37, whose mutation into Ala caused significant decrease of CpomPBP1 binding ability, were two key residues in determining the binding affinity of Codlemone to CpomPBP1. This study shed lights on discovering novel active semiochemicals as well as facilitating chemical modification of lead semiochemicals.

  9. Multiscale GasKinetics/Particle (MGP) Simulation for Rocket Plume/Lunar Dust Interactions, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A Multiscale GasKinetic/Particle (MGP) computational method is proposed to simulate the plume-crater-interaction/dust-impingement(PCIDI) problem. The MGP method...

  10. Interacting polytropic gas model of phantom dark energy in non-flat universe

    International Nuclear Information System (INIS)

    Karami, K.; Ghaffari, S.; Fehri, J.

    2009-01-01

    By introducing the polytropic gas model of interacting dark energy, we obtain the equation of state for the polytropic gas energy density in a non-flat universe. We show that for an even polytropic index by choosing K>Ba (3)/(n) , one can obtain ω Λ eff <-1, which corresponds to a universe dominated by phantom dark energy. (orig.)

  11. Effect on cavity optomechanics of the interaction between a cavity field and a one-dimensional interacting bosonic gas

    International Nuclear Information System (INIS)

    Sun Qing; Hu Xinghua; Liu, W. M.; Xie, X. C.; Ji Anchun

    2011-01-01

    We investigate optomechanical coupling between one-dimensional interacting bosons and the electromagnetic field in a high-finesse optical cavity. We show that by tuning interatomic interactions, one can realize effective optomechanics with mechanical resonators ranging from side-mode excitations of a Bose-Einstein condensate (BEC) to particle-hole excitations of a Tonks-Girardeau (TG) gas. We propose that this unique feature can be formulated to detect the BEC-TG gas crossover and measure the sine-Gordon transition continuously and nondestructively.

  12. Insight into the interactions, residue snorkeling, and membrane disordering potency of a single antimicrobial peptide into different lipid bilayers.

    Directory of Open Access Journals (Sweden)

    Majid Jafari

    Full Text Available Pardaxin, with a bend-helix-bend-helix structure, is a membrane-active antimicrobial peptide that its membrane activity depends on the lipid bilayer composition. Herein, all-atom molecular dynamics (MD simulations were performed to provide further molecular insight into the interactions, structural dynamics, orientation behavior, and cationic residues snorkeling of pardaxin in the DMPC, DPPC, POPC, POPG, POPG/POPE (3:1, and POPG/POPE (1:3 lipid bilayers. The results showed that the C-terminal helix of the peptide was maintained in all six types of the model-bilayers and pardaxin was tilted into the DMPC, DPPC, and POPG/POPE mixed bilayers more than the POPC and POPG bilayers. As well as, the structure of zwitterionic membranes was more affected by the peptide than the anionic bilayers. Taken together, the study demonstrated that the cationic residues of pardaxin snorkeled toward the interface of lipid bilayers and all phenylalanine residues of the peptide played important roles in the peptide-membrane interactions. We hope that this work will provide a better understanding of the interactions of antimicrobial peptides with the membranes.

  13. An accurate, residue-level, pair potential of mean force for folding and binding based on the distance-scaled, ideal-gas reference state.

    Science.gov (United States)

    Zhang, Chi; Liu, Song; Zhou, Hongyi; Zhou, Yaoqi

    2004-02-01

    Structure prediction on a genomic scale requires a simplified energy function that can efficiently sample the conformational space of polypeptide chains. A good energy function at minimum should discriminate native structures against decoys. Here, we show that a recently developed, residue-specific, all-atom knowledge-based potential (167 atomic types) based on distance-scaled, finite ideal-gas reference state (DFIRE-all-atom) can be substantially simplified to 20 residue types located at side-chain center of mass (DFIRE-SCM) without a significant change in its capability of structure discrimination. Using 96 standard multiple decoy sets, we show that there is only a small reduction (from 80% to 78%) in success rate of ranking native structures as the top 1. The success rate is higher than two previously developed, all-atom distance-dependent statistical pair potentials. Applied to structure selections of 21 docking decoys without modification, the DFIRE-SCM potential is 29% more successful in recognizing native complex structures than an all-atom statistical potential trained by a database of dimeric interfaces. The potential also achieves 92% accuracy in distinguishing true dimeric interfaces from artificial crystal interfaces. In addition, the DFIRE potential with the C(alpha) positions as the interaction centers recognizes 123 native structures out of a comprehensive 125-protein TOUCHSTONE decoy set in which each protein has 24,000 decoys with only C(alpha) positions. Furthermore, the performance by DFIRE-SCM on newly established 25 monomeric and 31 docking Rosetta-decoy sets is comparable to (or better than in the case of monomeric decoy sets) that of a recently developed, all-atom Rosetta energy function enhanced with an orientation-dependent hydrogen bonding potential.

  14. A cation-pi interaction in the binding site of the glycine receptor is mediated by a phenylalanine residue

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Millen, Kat S; Hanek, Ariele P

    2008-01-01

    Cys-loop receptor binding sites characteristically contain many aromatic amino acids. In nicotinic ACh and 5-HT3 receptors, a Trp residue forms a cation-pi interaction with the agonist, whereas in GABA(A) receptors, a Tyr performs this role. The glycine receptor binding site, however, contains...... of fluorinated Phe derivatives using unnatural amino acid mutagenesis. The data reveal a clear correlation between the glycine EC(50) value and the cation-pi binding ability of the fluorinated Phe derivatives at position 159, but not at positions 207 or 63, indicating a single cation-pi interaction between...

  15. Narrow line profiles and interacting gas flows in active galaxies

    International Nuclear Information System (INIS)

    Mardaljevic, J.; Raine, D.J.; Smith, M.D.

    1986-01-01

    The 'catapult model' of the narrow line region involves both infalling and outflowing clouds interacting with an outflowing wind. The emission line profiles in this model are derived and the results compared with observation. Supersonic and subsonic winds in the interaction zone produce distinct line profiles, both of which are observed. Flat-topped profiles, the presence of broad wings, asymmetry and line shifts are discussed. A relationship between profile shape and X-ray properties is predicted. (author)

  16. Variability of matrix effects in liquid and gas chromatography - mass spectrometry analysis of pesticide residues after QuEChERS sample preparation of different food crops

    Science.gov (United States)

    Gas and liquid chromatography (GC and LC) coupled to sophisticated mass spectrometry (MS) instruments are among the most powerful analytical tools currently available to monitor pesticide residues in food, among other applications. However, both GC-MS and LC-MS are susceptible to matrix effects whi...

  17. Adaptive nitrogen and integrated weed management in conservation agriculture: impacts on agronomic productivity, greenhouse gas emissions, and herbicide residues.

    Science.gov (United States)

    Oyeogbe, Anthony Imoudu; Das, T K; Bhatia, Arti; Singh, Shashi Bala

    2017-04-01

    Increasing nitrogen (N) immobilization and weed interference in the early phase of implementation of conservation agriculture (CA) affects crop yields. Yet, higher fertilizer and herbicide use to improve productivity influences greenhouse gase emissions and herbicide residues. These tradeoffs precipitated a need for adaptive N and integrated weed management in CA-based maize (Zea mays L.)-wheat [Triticum aestivum (L.) emend Fiori & Paol] cropping system in the Indo-Gangetic Plains (IGP) to optimize N availability and reduce weed proliferation. Adaptive N fertilization was based on soil test value and normalized difference vegetation index measurement (NDVM) by GreenSeeker™ technology, while integrated weed management included brown manuring (Sesbania aculeata L. co-culture, killed at 25 days after sowing), herbicide mixture, and weedy check (control, i.e., without weed management). Results indicated that the 'best-adaptive N rate' (i.e., 50% basal + 25% broadcast at 25 days after sowing + supplementary N guided by NDVM) increased maize and wheat grain yields by 20 and 14% (averaged for 2 years), respectively, compared with whole recommended N applied at sowing. Weed management by brown manuring (during maize) and herbicide mixture (during wheat) resulted in 10 and 21% higher grain yields (averaged for 2 years), respectively, over the weedy check. The NDVM in-season N fertilization and brown manuring affected N 2 O and CO 2 emissions, but resulted in improved carbon storage efficiency, while herbicide residuals in soil were significantly lower in the maize season than in wheat cropping. This study concludes that adaptive N and integrated weed management enhance synergy between agronomic productivity, fertilizer and herbicide efficiency, and greenhouse gas mitigation.

  18. Residue analysis of organophosphorus and organochlorine pesticides in fatty matrices by gas chromatography coupled with electron-capture detection.

    Science.gov (United States)

    Park, Jae-Woo; Abd El-Aty, A M; Lee, Myoung-Heon; Song, Sung-Ok; Shim, Jae-Han

    2006-01-01

    A multiresidue method for the simultaneous determination of 22 organochlorine (OCs) and organophosphorus (Ops) pesticides (including isomers and metabolites), representing a wide range of physicochemical properties, was developed in fatty matrices extracted from meat. Pesticides were extracted from samples with acetonitrile/n-hexane (v:v, 1:1). The analytical screening was performed by gas chromatography coupled with electron-capture detection (ECD). The identification of compounds was based on their retention time and on comparison of the primary and secondary ions. The optimized method was validated by determining accuracy (recovery percentages), precision (repeatability and reproducibility), and sensitivity (detection and quantitation limits) from analyses of samples fortified at 38 to 300 ng/g levels. Correlation coefficients for the 22 extracted pesticide standard curves (linear regression analysis, n = 3) ranged from 0.998 to 1.000. Recovery studies from 2 g samples fortified at 3 levels demonstrated that the GC-ECD method provides 64.4-96.0% recovery for all pesticides except 2,4'-DDE (44.6-50.4%), 4,4'-DDE (51.1-57.5%) and 2,4'-DDT (50.0-51.2%). Both repeatability and reproducibility relative standard deviation values were < 20% for all residues. Detection limits ranged from 0.31 to 1.27 ng/g and quantification limits were between 1.04 and 4.25 ng/g. The proposed analytical method may be used as a simple procedure in routine determinations of OCs and Ops in meat. It can also be applied to the determination of pesticide multi-residues in other animal products such as butter and milk.

  19. Determination of pesticide residues in animal origin baby foods by gas chromatography coupled with triple quadrupole mass spectrometry.

    Science.gov (United States)

    Amendola, Graziella; Pelosi, Patrizia; Attard Barbini, Danilo

    2015-01-01

    A simple, fast and multiresidue method for the determination of pesticide residues in baby foods of animal origin has been developed in order to check the compliance with the Maximum Residue Levels (MRLs) set at a general value of 0.01 mg/kg by Commission Directive 2006/125/EC for infant foods. The main classes of organochlorine, organophosphorus and pyrethroid compounds have been considered, which are mainly fat soluble pesticides. The analytical procedure consists in the extraction of baby food samples by acetonitrile (ACN) followed by a clean up using C18 solid-phase extraction column eluted with ACN. The compounds were determined by gas chromatography-triple quadrupole mass spectrometry equipped with a Programmed Temperature Vaporizer (PTV) injection and a backflush system. In order to compensate for matrix effects PTV and matrix matched standard calibrations have been used. The method has been fully validated for 57 pesticides according to the Document SANCO/12571/2013. Accuracy and precision (repeatability) have been studied by recoveries at two spiking levels, the Limit of Quantitation (LOQ) (0.003-0.008 mg/kg) and 10 time greater (0.03-0.08 mg/kg), and the results were in the acceptable range of 70-120% with Relative Standards Deviations (RSD) ≤20%. Selectivity, linearity, LOQ and uncertainty of measurement were also determined for all the compounds. The method has been also applied for the analysis of 18 baby food animal origin samples, bought form the local market in Rome (Italy), and no pesticide in the scope of the method has been found above the MRL or the LOQ.

  20. Effects of interaction imbalance in a strongly repulsive one-dimensional Bose gas

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Zinner, Nikolaj Thomas; Foerster, Angela

    2018-01-01

    We calculate the spatial distributions and the dynamics of a few-body two-component strongly interacting Bose gas confined to an effectively one-dimensional trapping potential. We describe the densities for each component in the trap for different interaction and population imbalances. We calculate...

  1. Effects of interaction imbalance in a strongly repulsive one-dimensional Bose gas

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Zinner, Nikolaj Thomas; Foerster, Angela

    2018-01-01

    We calculate the spatial distributions and the dynamics of a few-body two-component strongly interacting Bose gas confined to an effectively one-dimensional trapping potential. We describe the densities for each component in the trap for different interaction and population imbalances. We calcula...

  2. Magnetization of a two-dimensional electron gas with a spin-orbit interaction

    International Nuclear Information System (INIS)

    Hatano, Naomichi; Shirasaki, Ryoen; Nakamura, Hiroaki

    2006-04-01

    We argue that a two-dimensional electron gas with a spin-orbit interaction is magnetized when a voltage is applied with the Fermi level tuned to be in the energy gap. The magnetization is an indication of spin-carrying currents due to the spin-orbit interaction. (author)

  3. [Determination of propargite, tebuconazole and bromopropylate pesticide residues in Taiwan green jujubes by gas chromatography-tandem mass spectrometry].

    Science.gov (United States)

    Zhang, Qun; Liu, Chunhua; Wu, Nancun; Wu, Xiaofang; Li, Shuhuai

    2014-08-01

    An analytical method was established for the determination of propargite, tebuconazole and bromopropylate in Taiwan green jujubes (Zizyphus mauritiana Lam) by gas chromatography-tandem mass spectrometry (GC-MS/MS). The sample was extracted with acetonitrile from the Taiwan green jujubes after treated with a homogenizer. The organic phase was then separated from water phase by adding NaCl. The extract was further purified on a carbon/ NH2 cartridge with elution solvents of acetonitrile/toluene (3:1, v/v). Finally, the target analytes were separated by a capillary gas chromatographic column SLB-5MS (30 m x 0. 25 mm x 0. 25 μm). A tandem quadrupole mass spectrometer operated in either full scan mode or in MS/MS mode for multiple reaction monitoring (MRM) was used for the qualitative and quantitative analysis of the constituents, respectively. The results showed that the average recoveries of the three pesticides ranged from 75. 8% to 103. 6% with the RSDs of 1. 7%-9. 3% at the spiking levels from 0.01 mg/kg to 0. 50 mg/kg (n= 5). The calibration curves showed good linearity in the range of 0.01-0.50 mg/kg, with the determination coefficients over 0.99 (R2>0.99). The limits of quantification (LOQs) were 0.01 mg/kg for propargite, tebuconazole and bromopropylate in Taiwan green jujubes. The method is available for the determination of propargite, tebuconazole and bromopropylate pesticide residues in Taiwan green jujubes.

  4. HIGH TEMPERATURE INTERACTIONS BETWEEN RESIDUAL OIL ASH AND DISPERSED KAOLINITE POWDERS

    Science.gov (United States)

    The potential use of sorbents to manage ultrafine ash aerosol emissions from residual oil combustion was investigated using a downfired 82-kW-rated laboratory-scale refractory-lined combustor. The major constituents were vanadium (V), iron (Fe), nickel, (Ni) and zinc (Zn). Of the...

  5. Ruminal parameters analyzed in remaining digestion residue of roughages in the in vitro/gas system

    Directory of Open Access Journals (Sweden)

    Campos Fábio Prudêncio de

    2002-01-01

    Full Text Available Animal performance is the most direct measure in the evaluation of feed quality. However, performance data are often insufficient to determine possible interactions that may take place in the ruminal environment. The purpose of the present trial was to evaluate the possible associative effects on the concentrations of volatile fatty acids (VFAs, ammoniacal nitrogen (N-NH3 and pH in the remaining liquid fraction from the dry matter (DM digestion for exclusive roughages: sugarcane (SC, 60- (EG60 and 180-day elephantgrass (EG180, and corn silage (SIL, as well as for combined roughages: sugarcane+corn silage (SCSIL, sugarcane+60-day elephantgrass (SCEG60, sugarcane+180-day elephantgrass (SCEG180, corn silage+60-day elephantgrass (SILEG60, corn silage+180-day elephantgrass (SILEG180 associated at equal DM proportions (50%. These associative effects present positive or negative effects on bovine performance. Concentrations of VFAs and N-NH3, as well as pH for the treatments were, respectively: SC= 56.9 mmol L-1, 50.1 mg dL-1, 5.7; SCSIL= 61.4 mmol L-1, 50.7 mg dL-1, 5.8; SCEG60= 54.7 mmol L-1, 47.6 mg dL-1, 5.8; SCEG180= 45.4 mmol L-1, 49.4 mg dL-1, 6.0; SIL= 57.2 mmol L-1, 54.0 mg dL-1, 5.8; SILEG60= 57.1 mmol L-1, 53.1 mg dL-1, 5.9; SILEG180= 55.9 mmol L-1, 52.3 mg dL-1, 6.0; EG60= 58.1 mmol L-1, 49.4 mg dL-1, 5.9; and EG180= 44.0 mmol L-1, 46.4 mg dL-1, 6.1. Nonstructural carbohydrates and starch, associated with fiber and protein, contributed to positive associative effect on the 50:50 sugarcane/corn silage mixtures. The high fermentative aspect of such mixture may have promoted the best results in bovine performance.

  6. A Database of Transition-Metal-Coordinated Peptide Cross-Sections: Selective Interaction with Specific Amino Acid Residues

    Science.gov (United States)

    Dilger, Jonathan M.; Glover, Matthew S.; Clemmer, David E.

    2017-07-01

    Ion mobility mass spectrometry (IMS-MS) techniques were used to generate a database of 2288 collision cross sections of transition-metal-coordinated tryptic peptide ions. This database consists of cross sections for 1253 [Pep + X]2+ and 1035 [Pep + X + H]3+, where X2+ corresponds to Mn2+, Co2+, Ni2+, Cu2+, or Zn2+. This number of measurements enables the extraction of structural trends for transition-metal-coordinated peptide ions. The range of structures and changes in collision cross sections for X2+-coordinated species (compared with protonated species of the same charge state) is similar to Mg2+-coordinated species. This suggests that the structures are largely determined by similarities in cation size with differences among the cross section distributions presumably caused by X2+ interactions with specific functional groups offered by the residue R-groups or the peptide backbone. Cross section contributions for individual residues upon X2+ solvation are assessed with the derivation of intrinsic size parameters (ISPs). The comparison of the [Pep + X]2+ ISPs with those previously reported for [Pep + Mg]2+ ions displays a lower contribution to the cross section for His, carboxyamidomethylated Cys, and Met, and is consistent with specific metal-residue interactions identified within protein X-ray crystallography databases.

  7. Environmental Stress Testing of the Single Sample Cylinder: A Proven Consensus Standard for Internal Gas Analysis (IGA) or Residual Gas Analysis (RGA)

    Science.gov (United States)

    Schuessler, Philipp WH

    2010-01-01

    In August 2008, Schuessler Consulting was contracted by NASA GSFC in support of the NASA Electronic Parts and Packaging (NEPP) program to perform two separate studies on moisture laden air in a stainless steel cylinder that had been designed to become a consensus standard for Test Method 1018. This Test Method was originally released for hybrids under Mil. Std. 883 but was quickly utilized on other microelectronic devices under the auspice of Mil. Std. 750. The cylinder had subsequently been fabricated for the 750 community. It was back-filled with moist air and subsequently analyzed over a period of time under a previous NASA contract. It had been shown that moisture in the 4000 - 5000 ppm range could be analyzed rather precisely with a mass spectrometer, commonly referred to as a Residual Gas Analyzer (RGA). The scope of this study was to ascertain if the composition and precision varied as a function of thermal shock at sub-zero temperatures and whether there was consensus when the standard was submitted to other RGA units. It was demonstrated and published that the consensus standard would yield precise RGA data for moisture within +/- 1% when optimized for a given RGA unit. It has been subsequently shown in this study at Oneida Research Services, that sub-zero storage did not affect that precision when a well-defined protocol for the analysis was followed. The consensus standard was taken to a second facility for analysis where it was found that moisture adsorption on the transfer lines caused precision to drop to +/- 12%. The Single Sample Cylinder (SSC) is a one liter stainless steel cylinder with associated sampling valves and has considerable weight and volume. But this considerable size allows for approximately 300 gas samples of the same composition to be delivered to any RGA unit. Lastly, a smaller cylinder, approximately 75 cc, of a second consensus standard was fabricated and tested with a different mix of fixed gases where moisture was kept in the

  8. Evaluation of Pentachlorophenol Residues in Some Hygienic Papers Prepared from Virgin and Secondary Pulp by Electron Capture Gas Chromatographic Method

    Directory of Open Access Journals (Sweden)

    Behrouz Akbari-adergani

    2016-01-01

    Full Text Available In this study, residual amount of pentachlorophenol (PCP as the most important paper preservative, which is extremely hazardous pollutant, was determined in some tissue papers and napkins. Twenty-five samples of two producing hygienic paper factories prepared from virgin and secondary pulp were analyzed for the presence of trace amount of PCP. The analytical procedure involved direct extraction of PCP from hygienic paper and its determination by gas chromatography with electron capture detection. The statistical results for the analysis of all samples revealed that there were significant differences between mean of PCP in hygienic papers prepared from virgin and secondary pulp (P<0.05. This method gave recoveries of 86-98% for hygienic paper made from virgin pulp and 79-92% for hygienic paper made from secondary pulp. The limit of detection (LOD and limit of quantification (LOQ for PCP were 6.3 and 21.0 mg/kg, respectively. The analytical method has the requisite sensitivity, accuracy, precision and specificity to assay PCP in hygienic papers. This study demonstrates a concern with exposition to PCP considering that hygienic paper is largely consumed in the society.

  9. Residual gas analysis of a cryostat vacuum chamber during the cool down of SST - 1 superconducting magnet field coil

    International Nuclear Information System (INIS)

    Semwal, P.; Joshi, K.S.; Thankey, P.L.; Pathan, F.S.; Raval, D.C.; Patel, R.J.; Pathak, H.A.

    2005-01-01

    One of the most important feature of Steady state Superconducting Tokamak -1 (SST-l) is the Nb-Ti superconducting magnet field coils. The coils will be kept in a high vacuum chamber (Cryostat) and liquid Helium will be flown through it to cool it down to its critical temperature of 4.5K. The coil along with its hydraulics has four types of joints (1) Stainless Steel (S.S.) to Copper (Cu) weld joints (2) S. S. to S. S. weld joints (3) Cu to Cu brazed joints and (4) G-10 to S. S. joints with Sti-cast as the binding material. The joints were leak tested with a Helium mass spectrometer leak detector in vacuum as well as in sniffer mode. However during the cool-down of the coil, these joints may develop leaks. This would deteriorate the vacuum inside the cryostat and coil cool-down would subsequently become more difficult. To study the effect of cooling on the vacuum condition of the Cryostat, a dummy Cryostat chamber was fabricated and a toroidal Field (TF) magnet was kept inside this chamber and cooled down to 4.5 K.A residual gas analyzer (RGA) was connected to the Cryostat chamber to study the behaviour of major gases inside this chamber with temperature. An analysis of the RGA data acquired during the coo-down has been presented in this chamber. (author)

  10. Determination of alkylphenolic residues in fresh fruits and vegetables by extractive steam distillation and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Yang, Deng-Kai; Ding, Wang-Hsien

    2005-09-23

    This study describes a simple and sensitive method for determining the alkylphenolic compounds, 4-tert-octylphenol (4-t-OP), 4-nonylphenol isomers (4-NPs), and their monoethoxylates (4-t-OP1EO and 4-NP1EOs), in fresh fruits and vegetables. The method involves extracting a sample by a modified Nielson-Kryger steam distillation extraction using n-hexane for 1 h. The alkylphenolic compounds were identified and quantitated by gas chromatography-mass spectrometry (GC-MS) in selected ion monitoring (SIM) mode. Various pH values and amounts of NaCl added to the sample solution were evaluated as extraction conditions. The quantitation limit of this method was less than 0.2 ng/g in 10 g (fresh weight) of sample. Recovery of alkylphenolic compounds in spiked samples exceeded 64% while R.S.D. ranged from 1.0 to 9.8%. Alkylphenolic residues were detected in fresh fruits and vegetables at concentrations of 4-NPs and 4-t-OP from n.d. to 16 ng/g and from n.d. to 4.8 ng/g (fresh weight), respectively. NP1EO and OP1EO were always below the quantitation limit.

  11. Determination of alkylphenol residues in baby-food purees by steam distillation extraction and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Li, Chia-Tien; Cheng, Chin-Yuan; Ding, Wang-Hsien

    2008-02-01

    This paper describes a simple and sensitive method for determining alkylphenols namely 4-tert-octylphenol (4-t-OP) and the isomers of 4-nonylphenol (4-NPs) present in various types of baby-food purees. The method involves extracting a sample with n-hexane for 1h using a modified Nielson-Kryger steam distillation extraction system and then identifying and quantitating the alkylphenols using a gas chromatography-mass spectrometry (GC-MS) operated in the selected ion monitoring (SIM) mode. The extraction conditions were evaluated at various values of pH of the sample solution. The limits of quantitation for this method were 0.2 ng/g from 1.0 g (wet weight) samples of 4-t-OP and the 4-NPs. The intra- and interbatch precisions and accuracies were also determined. The precision, in terms of the relative standard deviation (RSD), were less than 8%. Most of the recoveries of the alkylphenols from various spiked samples exceeded 60%, while the values of RSD ranged from 1% to 10%. Alkylphenol residues were detected in baby-food purees at concentrations of up to 19 ng/g (wet weight) for 4-t-OP and up to 21 ng/g (wet weight) for the 4-NPs.

  12. Coiled-coil destabilizing residues in the group A Streptococcus M1 protein are required for functional interaction.

    Science.gov (United States)

    Stewart, Chelsea M; Buffalo, Cosmo Z; Valderrama, J Andrés; Henningham, Anna; Cole, Jason N; Nizet, Victor; Ghosh, Partho

    2016-08-23

    The sequences of M proteins, the major surface-associated virulence factors of the widespread bacterial pathogen group A Streptococcus, are antigenically variable but have in common a strong propensity to form coiled coils. Paradoxically, these sequences are also replete with coiled-coil destabilizing residues. These features are evident in the irregular coiled-coil structure and thermal instability of M proteins. We present an explanation for this paradox through studies of the B repeats of the medically important M1 protein. The B repeats are required for interaction of M1 with fibrinogen (Fg) and consequent proinflammatory activation. The B repeats sample multiple conformations, including intrinsically disordered, dissociated, as well as two alternate coiled-coil conformations: a Fg-nonbinding register 1 and a Fg-binding register 2. Stabilization of M1 in the Fg-nonbinding register 1 resulted in attenuation of Fg binding as expected, but counterintuitively, so did stabilization in the Fg-binding register 2. Strikingly, these register-stabilized M1 proteins gained the ability to bind Fg when they were destabilized by a chaotrope. These results indicate that M1 stability is antithetical to Fg interaction and that M1 conformational dynamics, as specified by destabilizing residues, are essential for interaction. A "capture-and-collapse" model of association accounts for these observations, in which M1 captures Fg through a dynamic conformation and then collapses into a register 2-coiled coil as a result of stabilization provided by binding energy. Our results support the general conclusion that destabilizing residues are evolutionarily conserved in M proteins to enable functional interactions necessary for pathogenesis.

  13. Gas interaction effects on lunar bonded particles and their implications

    International Nuclear Information System (INIS)

    Mukherjee, N.R.

    1976-01-01

    Some of the bonded particles of lunar soil samples separated upon exposure to reactive gases such as oxygen, water vapor, their mixtures, acids and bases have been studied. The bondings between particles susceptible to gas disruption seemed to be generally weak and appeared to have taken place via highly radiation-damaged layers at the particle surfaces. The amorphous layers with an average thickness of about 0.05 μm were produced by the solar wind exposure of about 2000 years. Therefore, the solar wind was responsible for the formation of these weak bondings and also probably responsible for disruption of these bondings. Apollo 11 and 12 landed in the equatorial region and about 1500 km apart. Thus, the solar wind effects on materials at these sites should have been about the same and the proportion of bonded particles separated by reactive gas exposure should also have been about the same; but the number of separations observed was about 2.7 (average) times greater in the Apollo 11 soil sample than in the Apollo 12 soil sample. This finding suggests that the number of weakly bonded particles and probably the solar-wind damaged amorphous layer particles at these sites was about in the same proportion. It is, therefore, considered that materials from certain depth (practically not exposed to the solar wind) of another site were transported and mixed during recent years (considerably less than 2000 years) with the original materials of the Apollo 12 site. This is consistent with the conclusions made by other investigators

  14. Global weak solutions for a compressible gas-liquid model with well-formation interaction

    Science.gov (United States)

    Evje, Steinar

    The objective of this work is to explore a compressible gas-liquid model designed for modeling of well flow processes. We build into the model well-reservoir interaction by allowing flow of gas between well and formation (surrounding reservoir). Inflow of gas and subsequent expansion of gas as it ascends towards the top of the well (a so-called gas kick) represents a major concern for various well operations in the context of petroleum engineering. We obtain a global existence result under suitable assumptions on the regularity of initial data and the rate function that controls the flow of gas between well and formation. Uniqueness is also obtained by imposing more regularity on the initial data. The key estimates are to obtain appropriate lower and upper bounds on the gas and liquid masses. For that purpose we introduce a transformed version of the original model that is highly convenient for analysis of the original model. In particular, in the analysis of the transformed model additional terms, representing well-formation interaction, can be treated by natural extensions of arguments that previously have been employed for the single-phase Navier-Stokes model. The analysis ensures that transition to single-phase regions do not appear when the initial state is a true gas-liquid mixture.

  15. IRBIT Interacts with the Catalytic Core of Phosphatidylinositol Phosphate Kinase Type Iα and IIα through Conserved Catalytic Aspartate Residues.

    Directory of Open Access Journals (Sweden)

    Hideaki Ando

    Full Text Available Phosphatidylinositol phosphate kinases (PIPKs are lipid kinases that generate phosphatidylinositol 4,5-bisphosphate (PI(4,5P2, a critical lipid signaling molecule that regulates diverse cellular functions, including the activities of membrane channels and transporters. IRBIT (IP3R-binding protein released with inositol 1,4,5-trisphosphate is a multifunctional protein that regulates diverse target proteins. Here, we report that IRBIT forms signaling complexes with members of the PIPK family. IRBIT bound to all PIPK isoforms in heterologous expression systems and specifically interacted with PIPK type Iα (PIPKIα and type IIα (PIPKIIα in mouse cerebellum. Site-directed mutagenesis revealed that two conserved catalytic aspartate residues of PIPKIα and PIPKIIα are involved in the interaction with IRBIT. Furthermore, phosphatidylinositol 4-phosphate, Mg2+, and/or ATP interfered with the interaction, suggesting that IRBIT interacts with catalytic cores of PIPKs. Mutations of phosphorylation sites in the serine-rich region of IRBIT affected the selectivity of its interaction with PIPKIα and PIPKIIα. The structural flexibility of the serine-rich region, located in the intrinsically disordered protein region, is assumed to underlie the mechanism of this interaction. Furthermore, in vitro binding experiments and immunocytochemistry suggest that IRBIT and PIPKIα interact with the Na+/HCO3- cotransporter NBCe1-B. These results suggest that IRBIT forms signaling complexes with PIPKIα and NBCe1-B, whose activity is regulated by PI(4,5P2.

  16. Contribution of factor VIII light-chain residues 2007-2016 to an activated protein C-interactive site.

    Science.gov (United States)

    Takeyama, Masahiro; Wakabayashi, Hironao; Fay, Philip J

    2013-02-01

    Although factor (F) VIIIa is inactivated by activated protein C (APC) through cleavages in the FVIII heavy chain-derived A1 (Arg(336)) and A2 subunits (Arg(562), the FVIII light chain (LC) contributes to catalysis by binding the enzyme. ELISA-based binding assays showed that FVIII and FVIII LC bound to immobilised active site-modified APC (DEGR-APC) (apparent K(d) ~270 nM and 1.0 μM, respectively). Fluid-phase binding studies using fluorescence indicated an estimated K(d) of ~590 nM for acrylodan-labelled LC binding to DEGR-APC. Furthermore, FVIII LC effectively competed with FVIIIa in blocking APC-catalysed cleavage at Arg(336) (K(i) = 709 nM). A binding site previously identified near the C-terminal end of the A3 domain (residues 2007-2016) of FVIII LC was subjected to Ala-scanning mutagenesis. FXa generation assays and western and dot blotting were employed to assess the contribution of these residues to FVIIIa interactions with APC. Virtually all variants tested showed reductions in the rates of APC-catalysed inactivation of the cofactor and cleavage at the primary inactivation site (Arg(336)), with maximal reductions in inactivation rates (~3-fold relative to WT) and cleavage rates (~3 to ~9-fold relative to WT) observed for the Met2010Ala, Ser2011Ala, and Leu2013Ala variants. Titration of FVIIIa substrate concentration monitoring cleavage by a dot blot assay indicated that these variants also showed ~3-fold increases relative to WT while a double mutant (Met2010Ala/Ser2011Ala) showed a >4-fold increase in K(m). These results show a contribution of a number of residues within the 2007-2016 sequence, and in particular residues Met2010, Ser2011, and Leu2013 to an APC-interactive site.

  17. Molecular Determinants Underlying Binding Specificities of the ABL Kinase Inhibitors: Combining Alanine Scanning of Binding Hot Spots with Network Analysis of Residue Interactions and Coevolution

    Science.gov (United States)

    Tse, Amanda; Verkhivker, Gennady M.

    2015-01-01

    Quantifying binding specificity and drug resistance of protein kinase inhibitors is of fundamental importance and remains highly challenging due to complex interplay of structural and thermodynamic factors. In this work, molecular simulations and computational alanine scanning are combined with the network-based approaches to characterize molecular determinants underlying binding specificities of the ABL kinase inhibitors. The proposed theoretical framework unveiled a relationship between ligand binding and inhibitor-mediated changes in the residue interaction networks. By using topological parameters, we have described the organization of the residue interaction networks and networks of coevolving residues in the ABL kinase structures. This analysis has shown that functionally critical regulatory residues can simultaneously embody strong coevolutionary signal and high network centrality with a propensity to be energetic hot spots for drug binding. We have found that selective (Nilotinib) and promiscuous (Bosutinib, Dasatinib) kinase inhibitors can use their energetic hot spots to differentially modulate stability of the residue interaction networks, thus inhibiting or promoting conformational equilibrium between inactive and active states. According to our results, Nilotinib binding may induce a significant network-bridging effect and enhance centrality of the hot spot residues that stabilize structural environment favored by the specific kinase form. In contrast, Bosutinib and Dasatinib can incur modest changes in the residue interaction network in which ligand binding is primarily coupled only with the identity of the gate-keeper residue. These factors may promote structural adaptability of the active kinase states in binding with these promiscuous inhibitors. Our results have related ligand-induced changes in the residue interaction networks with drug resistance effects, showing that network robustness may be compromised by targeted mutations of key mediating

  18. Rare gas-benzene-rare gas interactions: structural properties and dynamic behavior.

    Science.gov (United States)

    Albertí, Margarita

    2010-02-18

    In the present work, some static and dynamic properties of trimers containing one benzene molecule and two rare gas atoms are investigated. These trimers can be formed in two different configurations, one in which the two rare gas atoms are placed in opposite sides of the benzene plane, (1|1), and the other in which the two atoms are placed on the same side, (2|0). The (1|1) configuration is more stable than the (2|0), and both minima are connected by small energy barriers. Accordingly, molecular dynamics simulations show frequent (2|0) (1|1) interconversions, even at low temperatures. The time spent in each configuration has been related to the abundance of isomers. It has been found that at temperatures just below the dissociation, when interconversions are quite frequent, the relative abundance of (2|0) is always higher than that of (1|1), independently of the nature of the two rare gases.

  19. Different Analytical Procedures for the Study of Organic Residues in Archeological Ceramic Samples with the Use of Gas Chromatography-mass Spectrometry.

    Science.gov (United States)

    Kałużna-Czaplińska, Joanna; Rosiak, Angelina; Kwapińska, Marzena; Kwapiński, Witold

    2016-01-01

    The analysis of the composition of organic residues present in pottery is an important source of information for historians and archeologists. Chemical characterization of the materials provides information on diets, habits, technologies, and original use of the vessels. This review presents the problem of analytical studies of archeological materials with a special emphasis on organic residues. Current methods used in the determination of different organic compounds in archeological ceramics are presented. Particular attention is paid to the procedures of analysis of archeological ceramic samples used before gas chromatography-mass spectrometry. Advantages and disadvantages of different extraction methods and application of proper quality assurance/quality control procedures are discussed.

  20. Feasibility of Using Electrocochleography for Objective Estimation of Electro-Acoustic Interactions in Cochlear Implant Recipients with Residual Hearing.

    Science.gov (United States)

    Koka, Kanthaiah; Litvak, Leonid M

    2017-01-01

    Although cochlear implants (CI) traditionally have been used to treat individuals with bilateral profound sensorineural hearing loss, a recent trend is to implant individuals with residual low-frequency hearing. Patients who retain some residual acoustic hearing after surgery often can benefit from electro-acoustic stimulation (EAS) technologies, which combine conventional acoustic amplification with electrical stimulation. However, interactions between acoustic and electrical stimulation may affect outcomes adversely and are time-consuming and difficult to assess behaviorally. This study demonstrated the feasibility of using the Advanced Bionics HiRes90K Advantage implant electronics and HiFocus Mid Scala/1j electrode to measure electrocochleography (ECochG) responses in the presence of electrical stimulation to provide an objective estimate of peripheral physiologic EAS interactions. In general, electrical stimulation reduced ECochG response amplitudes to acoustic stimulation. The degree of peripheral EAS interaction varied as a function of acoustic pure tone frequency and the intra-cochlear location of the electrically stimulated electrode. Further development of this technique may serve to guide and optimize clinical EAS system fittings in the future.

  1. On particle number fluctuations in an interacting pion gas with dynamically fixed number of particles

    Science.gov (United States)

    Voskresensky, D. N.; Kolomeitsev, E. E.

    2017-12-01

    We consider a hot isospin-symmetric pion gas with the dynamically fixed number of particles in the model with a λφ 4 interaction. In the thermodynamic limit, for temperature above the critical value for the Bose-Einstein condensation we calculate the effective pion mass, the chemical potential and the normalized variance. In contrast to the ideal gas, the normalized variance remains finite in the critical point of the Bose-Einstein condensation.

  2. Long-range dispersion interactions. II. Alkali-metal and rare-gas atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Zhang, J.-Y.

    2007-01-01

    The dispersion coefficients for the van der Waals interactions between the rare gases Ne, Ar, Kr, and Xe and the low-lying states of Li, Na, K, and Rb are estimated using a combination of ab initio and semiempirical methods. The rare-gas oscillator strength distributions for the quadrupole and octupole transitions were derived by using high-quality calculations of rare-gas polarizabilities and dispersion coefficients to tune Hartree-Fock single-particle energies and expectation values

  3. Spectroscopic determination of gas-water interactions in clathrate hydrates

    International Nuclear Information System (INIS)

    Richardson, H.H. Jr.

    1985-01-01

    The technique of forming clathrate hydrates by first forming the amorphous deposits of gas-water mixture and, secondly, annealing this deposit was used to form the clathrate hydrates of ethylene oxide, hydrogen sulfide and sulfur dioxide. Once the clathrate hydrate formed as a thin film on the CsI substrate, the infrared spectrum of these hydrates could be obtained. The clathrate hydrates could be irradiated with 1.7 MeV electrons to promote high proton concentrations in the clathrate hydrate lattice at low temperatures (approx.30K) where the Bjerrum defects in the lattice are not mobile. The ring breathing model of ethylene oxide in the clathrate hydrate can be assigned. It was possible to incorporate D 2 O into the hydrogen bonded lattice of the ethylene oxide clathrate hydrate by growing the clathrate hydrate epitaxially on a thin film of clathrate hydrate at 100 K. The half-life of the D 2 O molecules in the ethylene oxide clathrate hydrate was only 9 minutes at 120 K. The activation energy determined from the hopping rate constant in ethylene oxide clathrate hydrate was 4.5 +/- 1.8 Kcal/mole. Irradiation of the ethylene oxide clathrate hydrate with 1.7 MeV electrons transformed some of the ethylene oxide molecules in the cages to (a) CH 2 = CH 2 , (b) CH 2 = C = O, (c) CH 3 -CH 2 -OH, (d) CO 2 , and (e) CO. A steady state concentration of coupled HOD was maintained in irradiated samples of ethylene oxide clathrate hydrates at a temperature around 80 K. The enclathrated H 2 S molecule in the small cages had a different infrared spectrum (broad band complex centered at 2600 cm -1 ) from the H 2 S molecules which had been enclathrated in the large cages (broad band complex centered at 2550 cm -1 )

  4. One-dimensional gas of bosons with Feshbach-resonant interactions

    International Nuclear Information System (INIS)

    Gurarie, V.

    2006-01-01

    We present a study of a gas of bosons confined in one dimension with Feshbach-resonant interactions, at zero temperature. Unlike the gas of one-dimensional bosons with non resonant interactions, which is known to be equivalent to a system of interacting spinless fermions and can be described using the Luttinger liquid formalism, the resonant gas possesses additional features. Depending on its parameters, the gas can be in one of three possible regimes. In the simplest of those, it can still be described by the Luttinger liquid theory, but its Fermi momentum cannot be larger than a certain cutoff momentum dependent on the details of the interactions. In the other two regimes, it is equivalent to a Luttinger liquid at low density only. At higher densities its excitation spectrum develops a minimum, similar to the roton minimum in helium, at momenta where the excitations are in resonance with the Fermi sea. As the density of the gas is increased further, the minimum dips below the Fermi energy, thus making the ground state unstable. At this point the standard ground state gets replaced by a more complicated one, where not only the states with momentum below the Fermi points, but also the ones with momentum close to that minimum, get filled, and the excitation spectrum develops several branches. We are unable so far to study this regime in detail due to the lack of the appropriate formalism

  5. Acute and residual interactive effects of repeated administrations of oral methamphetamine and alcohol in humans

    Science.gov (United States)

    Kirkpatrick, Matthew G.; Gunderson, Erik W.; Levin, Frances R.; Foltin, Richard W.; Hart, Carl L.

    2011-01-01

    Although methamphetamine and alcohol are commonly used together in a binge-like pattern, there is a dearth of empirical data investigating the repeated effects of this drug combination. The current study examined acute and residual mood, performance, and physiological effects of methamphetamine alone, alcohol alone, and the combination. Nine adult male volunteers completed this 20-day within-participant, residential laboratory study. During four 5-day blocks of sessions, participants were administered oral methamphetamine (0, 10 mg) combined with alcohol (0, 0.375, 0.75 g/kg) three times (day 2: AM, day 2: PM, and day 3: PM). Breath alcohol concentrations, cardiovascular, subjective, and cognitive/psychomotor performance effects were assessed before drug administration and repeatedly thereafter. Subjective and objective sleep measures were also assessed; residual effects were assessed on days 3–5 of each block. Following the first drug administration, the methamphetamine–alcohol combination produced greater elevations of heart rate and ratings of “good drug effect” compared to either drug alone. Methamphetamine attenuated alcohol-related performance decrements and feelings of intoxication, whereas alcohol attenuated methamphetamine-related sleep disruptions. By the third administration, many of these effects were significantly diminished, suggesting that participants developed tolerance. Few residual effects were observed. These data show that methamphetamine combined with alcohol produced a profile of effects that was different from the effects of either drug alone. The largely positive effects of the drug combination (i.e., greater euphoria, and fewer performance and sleep disruptions) might explain why these drugs are often used in combination. PMID:21748253

  6. The interactive effect of fungicide residues and yeast assimilable nitrogen on fermentation kinetics and hydrogen sulfide production during cider fermentation.

    Science.gov (United States)

    Boudreau, Thomas F; Peck, Gregory M; O'Keefe, Sean F; Stewart, Amanda C

    2017-01-01

    Fungicide residues on fruit may adversely affect yeast during cider fermentation, leading to sluggish or stuck fermentation or the production of hydrogen sulfide (H 2 S), which is an undesirable aroma compound. This phenomenon has been studied in grape fermentation but not in apple fermentation. Low nitrogen availability, which is characteristic of apples, may further exacerbate the effects of fungicides on yeast during fermentation. The present study explored the effects of three fungicides: elemental sulfur (S 0 ) (known to result in increased H 2 S in wine); fenbuconazole (used in orchards but not vineyards); and fludioxonil (used in post-harvest storage of apples). Only S 0 led to increased H 2 S production. Fenbuconazole (≥0.2 mg L -1 ) resulted in a decreased fermentation rate and increased residual sugar. An interactive effect of yeast assimilable nitrogen (YAN) concentration and fenbuconazole was observed such that increasing the YAN concentration alleviated the negative effects of fenbuconazole on fermentation kinetics. Cidermakers should be aware that residual fenbuconazole (as low as 0.2 mg L -1 ) in apple juice may lead to stuck fermentation, especially when the YAN concentration is below 250 mg L -1 . These results indicate that fermentation problems attributed to low YAN may be caused or exacerbated by additional factors such as fungicide residues, which have a greater impact on fermentation performance under low YAN conditions. © 2016 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. © 2016 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

  7. The Interaction of Hot and Cold Gas in the Disk and Halo of Galaxies

    Science.gov (United States)

    Slavin, Jonathan; Salamon, Michael (Technical Monitor)

    2004-01-01

    Most of the thermal energy in the Galaxy and perhaps most of the baryons in the Universe are found in hot (log T approximately 5.5 - 7) gas. Hot gas is detected in the local interstellar medium, in supernova remnants (SNR), the Galactic halo, galaxy clusters and the intergalactic medium (IGM). In our own Galaxy, hot gas exists in large superbubbles up to several hundred pc in diameter that locally dominate the interstellar medium (ISM) and determine its thermal and dynamic evolution. While X-ray observations using ROSAT, Chandra and XMM have allowed us to make dramatic progress in mapping out the morphology of the hot gas and in understanding some of its spectral characteristics, there remain fundamental questions that are unanswered. Chief among these questions is the way that hot gas interacts with cooler phase gas and the effects these interactions have on hot gas energetics. The theoretical investigations we proposed in this grant aim to explore these interactions and to develop observational diagnostics that will allow us to gain much improved information on the evolution of hot gas in the disk and halo of galaxies. The first of the series of investigations that we proposed was a thorough exploration of turbulent mixing layers and cloud evaporation. We proposed to employ a multi-dimensional hydrodynamical code that includes non-equilibrium ionization (NEI), radiative cooling and thermal conduction. These models are to be applied to high velocity clouds in our galactic halo that are seen to have O VI by FUSE (Sembach et ai. 2000) and other clouds for which sufficient constraining observations exist.

  8. Interactions between the Design and Operation of Shale Gas Networks, Including CO2 Sequestration

    Directory of Open Access Journals (Sweden)

    Sharifzadeh Mahdi

    2017-04-01

    Full Text Available As the demand for energy continues to increase, shale gas, as an unconventional source of methane (CH4, shows great potential for commercialization. However, due to the ultra-low permeability of shale gas reservoirs, special procedures such as horizontal drilling, hydraulic fracturing, periodic well shut-in, and carbon dioxide (CO2 injection may be required in order to boost gas production, maximize economic benefits, and ensure safe and environmentally sound operation. Although intensive research is devoted to this emerging technology, many researchers have studied shale gas design and operational decisions only in isolation. In fact, these decisions are highly interactive and should be considered simultaneously. Therefore, the research question addressed in this study includes interactions between design and operational decisions. In this paper, we first establish a full-physics model for a shale gas reservoir. Next, we conduct a sensitivity analysis of important design and operational decisions such as well length, well arrangement, number of fractures, fracture distance, CO2 injection rate, and shut-in scheduling in order to gain in-depth insights into the complex behavior of shale gas networks. The results suggest that the case with the highest shale gas production may not necessarily be the most profitable design; and that drilling, fracturing, and CO2 injection have great impacts on the economic viability of this technology. In particular, due to the high costs, enhanced gas recovery (EGR using CO2 does not appear to be commercially competitive, unless tax abatements or subsidies are available for CO2 sequestration. It was also found that the interactions between design and operational decisions are significant and that these decisions should be optimized simultaneously.

  9. Residual-interaction renormalization effect on the spherical-nuclei α-decay absolute widths

    International Nuclear Information System (INIS)

    Dumitresku, T.; Kadmenskij, S.G.; Lomachenkov, I.A.; Kholan, S.; Furman, V.I.

    1978-01-01

    In the framework of the shell model approximation for the probabilities of alpha-decay the exact formulas (for alpha-widths) taking into account the contribution of density dependent effective interaction between nucleons forming the emitted alpha-particle are obtained. In agreement with previous estimations the numerical calculation reveals that the inclusion of the above-mentioned interaction is followed by some decrease of absolute alpha-widths

  10. Residues of E. coli topoisomerase I conserved for interaction with a specific cytosine base to facilitate DNA cleavage

    Science.gov (United States)

    Narula, Gagandeep; Tse-Dinh, Yuk-Ching

    2012-01-01

    Bacterial and archaeal topoisomerase I display selectivity for a cytosine base 4 nt upstream from the DNA cleavage site. Recently, the solved crystal structure of Escherichia coli topoisomerase I covalently linked to a single-stranded oligonucleotide revealed that R169 and R173 interact with the cytosine base at the −4 position via hydrogen bonds while the phenol ring of Y177 wedges between the bases at the −4 and the −5 position. Substituting R169 to alanine changed the selectivity of the enzyme for the base at the −4 position from a cytosine to an adenine. The R173A mutant displayed similar sequence selectivity as the wild-type enzyme, but weaker cleavage and relaxation activity. Mutation of Y177 to serine or alanine rendered the enzyme inactive. Although mutation of each of these residues led to different outcomes, R169, R173 and Y177 work together to interact with a cytosine base at the −4 position to facilitate DNA cleavage. These strictly conserved residues might act after initial substrate binding as a Molecular Ruler to form a protein–DNA complex with the scissile phosphate positioned at the active site for optimal DNA cleavage by the tyrosine hydroxyl nucleophile to facilitate DNA cleavage in the reaction pathway. PMID:22833607

  11. Analysis of residual crosslinking agent content in UV cross-linked poly(ethylene oxide hydrogels for dermatological application by gas chromatography

    Directory of Open Access Journals (Sweden)

    Rachel Shet Hui Wong

    2016-10-01

    Full Text Available Acrylates have been widely used in the synthesis of pharmaceutical polymers. The quantitation of residual acrylate monomers is vital as they are strong irritants and allergens, but after polymerization, are relatively inert, causing no irritation and allergies. Poly(ethylene oxide (PEO hydrogels were prepared using pentaerythritol tetra-acrylate (PETRA as UV crosslinking agent. A simple, accurate, and robust quantitation method was developed based on gas chromatographic techniques (GC, which is suitable for routine analysis of residual PETRA monomers in these hydrogels. Unreacted PETRA was initially identified using gas chromatography–mass spectrometry (GC–MS. The quantitation of analyte was performed and validated using gas chromatography equipped with a flame ionization detector (GC–FID. A linear relationship was obtained over the range of 0.0002%–0.0450% (m/m with a correlation coefficient (r2 greater than 0.99. The recovery (>90%, intra-day precision (%RSD <0.67, inter-day precision (%RSD <2.5%, and robustness (%RSD <1.62% of the method were within the acceptable values. The limit of detection (LOD and limit of quantitation (LOQ were 0.0001% (m/m and 0.0002% (m/m, respectively. This assay provides a simple and quick way of screening for residual acrylate monomer in hydrogels.

  12. Nematode succession and microfauna-microorganism interactions during root residue decomposition

    DEFF Research Database (Denmark)

    Georgieva, Slavka; Christensen, Søren; Andersen, Karen Stevnbak

    2005-01-01

    The quality of plant material affects the vigor of the decomposition process and composition of the decomposer biota. Root residues from hairy vetch (Vicia villosa Roth), rye (Secale cereale L.) and vetch+rye, packed in litterbags were placed in pots of soil at 15 C and the content of the bags...... assemblages (composed of 25 taxa) showed a clear relationship to initial plant resource quality as well as decomposition phase. Early successional microbivorous nematodes vary according to resource quality with demanding bacterivores+predators (Neodiplogasteridae) dominating in vetch and less demanding...... in rye. At week 12 no species dominated the nematode assemblages that were similar between the resources. The differences between nematode assemblages among plant resources at 2 week were similar to the results of a field study sampled after 6 weeks with the same soil and plant resources. This lends...

  13. Contributions of gas-phase plasma chemistry to surface modifications and gas-surface interactions: investigations of fluorocarbon rf plasmas

    Science.gov (United States)

    Cuddy, Michael F., II

    The fundamental aspects of inductively coupled fluorocarbon (FC) plasma chemistry were examined, with special emphasis on the contributions of gas-phase species to surface modifications. Characterization of the gas-phase constituents of single-source CF4-, C2F6-, C3F 8-, and C3F6-based plasmas was performed using spectroscopic and mass spectrometric techniques. The effects of varying plasma parameters, including applied rf power (P) and system pressure (p) were examined. Optical emission spectroscopy (OES) and laser-induced fluorescence (LIF) spectroscopy were employed to monitor the behavior of excited and ground CFx (x = 1,2) radicals, respectively. Mass spectrometric techniques, including ion energy analyses, elucidated behaviors of nascent ions in the FC plasmas. These gas-phase data were correlated with the net effect of substrate processing for Si and ZrO2 surfaces. Surface-specific analyses were performed for post-processed substrates via x-ray photoelectron spectroscopy (XPS) and contact angle goniometry. Generally, precursors with lower F/C ratios tended to deposit robust FC films of high surface energy. Precursors of higher F/C ratio, such as CF4, were associated with etching or removal of material from surfaces. Nonetheless, a net balance between deposition of FC moieties and etching of material exists for each plasma system. The imaging of radicals interacting with surfaces (IRIS) technique provided insight into the phenomena occurring at the interface of the plasma gas-phase and substrate of interest. IRIS results demonstrate that CFx radicals scatter copiously, with surface scatter coefficients, S, generally greater than unity under most experimental conditions. Such considerable S values imply surface-mediated production of the CFx radicals at FC-passivated sites. It is inferred that the primary route to surface production of CFx arises from energetic ion bombardment and ablation of surface FC films. Other factors which may influence the observed CFx

  14. Computational fluid dynamics (CFD) analysis of the combustion process of a leather residuals gasification fuel gas: influence of fuel moisture content

    Energy Technology Data Exchange (ETDEWEB)

    Antonietti, Anderson Jose; Beskow, Arthur Bortolin; Silva, Cristiano Vitorino da [Universidade Regional Integrada do Alto Uruguai e das Missoes (URI), Erechim, RS (Brazil)], E-mails: arthur@uricer.edu.br, mlsperb@unisinos.br; Indrusiak, Maria Luiza Sperb [Universidade do Vale do Rio dos Sinos (UNISINOS), Sao Leopoldo, RS (Brazil)], E-mail: cristiano@uricer.edu.br

    2010-07-01

    This work presents a numerical study of the combustion process of leather residuals gasification gas, aiming the improvement of the process efficiency, considering different concentrations of water on the gas. The heating produced in this combustion process can be used to generation of thermal and/or electrical energy, for use at the leather industrial plant. However, the direct burning of this leather-residual-gas into the chambers is not straightforward. The alternative in development consists in processing this leather residuals by gasification or pyrolysis, separating the volatiles and products of incomplete combustion, for after use as fuel in a boiler. At these processes, different quantities of water can be used, resulting at different levels of moisture content in this fuel gas. This humidity can affect significantly the burning of this fuel, producing unburnt gases, as the carbon monoxide, or toxic gases as NOx, which must have their production minimized on the process, with the purpose of reducing the emission of pollutants to the atmosphere. Other environment-harmful-gases, remaining of the chemical treatment employed at leather manufacture, as cyanide, and hydrocarbons as toluene, must burn too, and the moisture content has influence on it. At this way, to increase understanding of the influence of moisture in the combustion process, it was made a numerical investigation study of reacting flow in the furnace, evaluating the temperature field, the chemical species concentration fields, flow mechanics and heat transfer at the process. The commercial CFD code CFX Ansys Inc. was used. Considering different moisture contents in the fuel used on the combustion process, with this study was possible to achieve the most efficient burning operation parameters, with improvement of combustion efficiency, and reduction of environmental harmful gases emissions. It was verified that the different moisture contents in the fuel gas demand different operation conditions

  15. Multi-level learning: improving the prediction of protein, domain and residue interactions by allowing information flow between levels.

    Science.gov (United States)

    Yip, Kevin Y; Kim, Philip M; McDermott, Drew; Gerstein, Mark

    2009-08-05

    Proteins interact through specific binding interfaces that contain many residues in domains. Protein interactions thus occur on three different levels of a concept hierarchy: whole-proteins, domains, and residues. Each level offers a distinct and complementary set of features for computationally predicting interactions, including functional genomic features of whole proteins, evolutionary features of domain families and physical-chemical features of individual residues. The predictions at each level could benefit from using the features at all three levels. However, it is not trivial as the features are provided at different granularity. To link up the predictions at the three levels, we propose a multi-level machine-learning framework that allows for explicit information flow between the levels. We demonstrate, using representative yeast interaction networks, that our algorithm is able to utilize complementary feature sets to make more accurate predictions at the three levels than when the three problems are approached independently. To facilitate application of our multi-level learning framework, we discuss three key aspects of multi-level learning and the corresponding design choices that we have made in the implementation of a concrete learning algorithm. 1) Architecture of information flow: we show the greater flexibility of bidirectional flow over independent levels and unidirectional flow; 2) Coupling mechanism of the different levels: We show how this can be accomplished via augmenting the training sets at each level, and discuss the prevention of error propagation between different levels by means of soft coupling; 3) Sparseness of data: We show that the multi-level framework compounds data sparsity issues, and discuss how this can be dealt with by building local models in information-rich parts of the data. Our proof-of-concept learning algorithm demonstrates the advantage of combining levels, and opens up opportunities for further research. The software

  16. Multi-level learning: improving the prediction of protein, domain and residue interactions by allowing information flow between levels

    Directory of Open Access Journals (Sweden)

    McDermott Drew

    2009-08-01

    Full Text Available Abstract Background Proteins interact through specific binding interfaces that contain many residues in domains. Protein interactions thus occur on three different levels of a concept hierarchy: whole-proteins, domains, and residues. Each level offers a distinct and complementary set of features for computationally predicting interactions, including functional genomic features of whole proteins, evolutionary features of domain families and physical-chemical features of individual residues. The predictions at each level could benefit from using the features at all three levels. However, it is not trivial as the features are provided at different granularity. Results To link up the predictions at the three levels, we propose a multi-level machine-learning framework that allows for explicit information flow between the levels. We demonstrate, using representative yeast interaction networks, that our algorithm is able to utilize complementary feature sets to make more accurate predictions at the three levels than when the three problems are approached independently. To facilitate application of our multi-level learning framework, we discuss three key aspects of multi-level learning and the corresponding design choices that we have made in the implementation of a concrete learning algorithm. 1 Architecture of information flow: we show the greater flexibility of bidirectional flow over independent levels and unidirectional flow; 2 Coupling mechanism of the different levels: We show how this can be accomplished via augmenting the training sets at each level, and discuss the prevention of error propagation between different levels by means of soft coupling; 3 Sparseness of data: We show that the multi-level framework compounds data sparsity issues, and discuss how this can be dealt with by building local models in information-rich parts of the data. Our proof-of-concept learning algorithm demonstrates the advantage of combining levels, and opens up

  17. INTERACTION OF LIQUID FLAT SCREENS WITH GAS FLOW RESTRICTED BY CHANNEL WALLS

    Directory of Open Access Journals (Sweden)

    S. T. Aksentiev

    2005-01-01

    Full Text Available The paper gives description of physical pattern of liquid screen interaction that are injected from the internal walls of a rectangular channel with gas flow. Criterion dependences for determination of intersection coordinates of external boundaries with longitudinal channel axis and factor of liquid screen head resistance.

  18. Interactions among energy consumption, economic development and greenhouse gas emissions in Japan after World War II

    Science.gov (United States)

    The long-term dynamic changes in the triad, energy consumption, economic development, and Greenhouse gas (GHG) emissions, in Japan after World War II were quantified, and the interactions among them were analyzed based on an integrated suite of energy, emergy and economic indices...

  19. Reconstructing an interacting holographic polytropic gas model in a non-flat FRW universe

    International Nuclear Information System (INIS)

    Karami, K; Abdolmaleki, A

    2010-01-01

    We study the correspondence between the interacting holographic dark energy and the polytropic gas model of dark energy in a non-flat FRW universe. This correspondence allows one to reconstruct the potential and the dynamics for the scalar field of the polytropic model, which describe accelerated expansion of the universe.

  20. Reconstructing an interacting holographic polytropic gas model in a non-flat FRW universe

    Energy Technology Data Exchange (ETDEWEB)

    Karami, K; Abdolmaleki, A, E-mail: KKarami@uok.ac.i [Department of Physics, University of Kurdistan, Pasdaran Street, Sanandaj (Iran, Islamic Republic of)

    2010-05-01

    We study the correspondence between the interacting holographic dark energy and the polytropic gas model of dark energy in a non-flat FRW universe. This correspondence allows one to reconstruct the potential and the dynamics for the scalar field of the polytropic model, which describe accelerated expansion of the universe.

  1. Dispersion Interactions between Rare Gas Atoms: Testing the London Equation Using ab Initio Methods

    Science.gov (United States)

    Halpern, Arthur M.

    2011-01-01

    A computational chemistry experiment is described in which students can use advanced ab initio quantum mechanical methods to test the ability of the London equation to account quantitatively for the attractive (dispersion) interactions between rare gas atoms. Using readily available electronic structure applications, students can calculate the…

  2. Kinetic energy and added mass of hydrodynamically interacting gas bubbles in liquid

    NARCIS (Netherlands)

    Kok, Jacobus B.W.

    1988-01-01

    By averaging the basic equations on microscale, expressions are derived for the effective added mass density and the kinetic energy density of a mixture of liquid and gas bubbles. Due to hydrodynamic interaction between the bubbles there appears to be a difference between the effective added mass

  3. A theorem on the single particle energy in a Fermi gas with interaction

    NARCIS (Netherlands)

    Hugenholtz, N.M.; Hove, Léon van

    1958-01-01

    This paper investigates single particle properties in a Fermi gas with interaction at the absolute zero of temperature. In such a system a single particle energy has only a meaning for particles of momentum k close to the Fermi momentum kF. These single particle states are metastable with a

  4. Towards understanding the influence of electron-gas interactions on imaging in an environmental TEM

    DEFF Research Database (Denmark)

    Wagner, Jakob Birkedal; Boothroyd, Chris; Beleggia, Marco

    2011-01-01

    improved the point resolution to the sub-Ångström level [1] and reduced image delocalization, allowing images of surface and interface structures to be interpreted more directly [2]. However, when gas is present in the microscope the path of electrons along the column is modified due to gas......-electron scattering [3]. In general there are two approaches for performing TEM experiments in the presence of gases. These approaches are based on a differential pumping scheme and the closed cell TEM holder approach and each has its advantages and disadvantages. In the closed cell approach, gas molecules...... are confined to a thin (typically 50-200 μm thick) slab around the sample, but the electrons interact with the window material (e.g. C, SiN) as well as with the gas and the sample. In addition, the field of view is typically smaller than in a conventional TEM and a limited range of sample geometries can...

  5. Characterisation of polycyclic aromatic hydrocarbons in flue gas and residues of a full scale fluidized bed combustor combusting non-hazardous industrial waste.

    Science.gov (United States)

    Van Caneghem, J; Vandecasteele, C

    2014-11-01

    This paper studies the fate of PAHs in full scale incinerators by analysing the concentration of the 16 EPA-PAHs in both the input waste and all the outputs of a full scale Fluidized Bed Combustor (FBC). Of the analysed waste inputs i.e. Waste Water Treatment (WWT) sludge, Refuse Derived Fuel (RDF) and Automotive Shredder Residue (ASR), RDF and ASR were the main PAH sources, with phenanthrene, fluoranthene and pyrene being the most important PAHs. In the flue gas sampled at the stack, naphthalene was the only predominant PAH, indicating that the PAHs in FBC's combustion gas were newly formed and did not remain from the input waste. Of the other outputs, the boiler and fly ash contained no detectable levels of PAHs, whereas the flue gas cleaning residue contained only low concentrations of naphthalene, probably adsorbed from the flue gas. The PAH fingerprint of the bottom ash corresponded rather well to the PAH fingerprint of the RDF and ASR, indicating that the PAHs in this output, in contrast to the other outputs, were mainly remainders from the PAHs in the waste inputs. A PAH mass balance showed that the total PAH input/output ratio of the FBC ranged from about 100 to about 2600 depending on the waste input composition and the obtained combustion conditions. In all cases, the FBC was clearly a net PAH sink. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. Structural polymorphism of human islet amyloid polypeptide (hIAPP) oligomers highlights the importance of interfacial residue interactions.

    Science.gov (United States)

    Zhao, Jun; Yu, Xiang; Liang, Guizhao; Zheng, Jie

    2011-01-10

    A 37-residue of human islet amyloid polypeptide (hIAPP or amylin) is a main component of amyloid plaques found in the pancreas of ∼90% of type II diabetes patients. It is reported that hIAPP oligomers, rather than mature fibrils, are major toxic species responsible for pancreatic islet β-cell dysfunction and even cell death, but molecular structures of these oligomers remain elusive. In this work, on the basis of recent solid-state NMR and mass-per-length (MPL) data, we model a series of hIAPP oligomers with different β-layers (one, two, and three layers), symmetries (symmetry and asymmetry), and associated interfaces using molecular dynamics simulations. Three distinct interfaces formed by C-terminal β-sheet and C-terminal β-sheet (CC), N-terminal β-sheet and N-terminal β-sheet (NN), and C-terminal β-sheet and N-terminal β-sheet (CN) are identified to drive multiple cross-β-layers laterally associated together to form different amyloid organizations via different intermolecular interactions, in which the CC interface is dominated by polar interactions, the NN interface is dominated by hydrophobic interactions, and the CN interface is dominated by mixed polar and hydrophobic interactions. Overall, the structural stability of the proposed hIAPP oligomers is a result of delicate balance between maximization of favorable peptide-peptide interactions at the interfaces and optimization of solvation energy with globular structure. Different hIAPP oligomeric models indicate a general and intrinsic nature of amyloid polymorphism, driven by different interfacial side-chain interactions. The proposed models are compatible with recent experimental data in overall size, cross-section area, and molecular weight. A general hIAPP aggregation mechanism is proposed on the basis of our simulated models and experimental data.

  7. Biochemical effects of manufactured gas plant residue following ingestion by B6C3F1 mice

    Energy Technology Data Exchange (ETDEWEB)

    Weyand, E.H.; Wu, Yun; Patel, S. (State Univ. of New Jersey, Piscataway, NJ (United States)); Goldstein, L. (Electric Power Research Institute, Palto Alto, CA (United States))

    1994-01-01

    The toxic potential of manufactured gas plant residue (MGP) given in the diet to male and female B6C3F1 mice was evaluated. In addition, the bioavailability of chemical components of MGP were also investigated by monitoring polycyclic aromatic hydrocarbon (PAH) metabolites in urine and DNA adduct formation in forestomach and lung tissue. Basal gel diets containing 0.05, 0.25, 0.50% benzo[a]pyrene (BaP) were fed to animals for 94 and 185 d. Mice readily consumed adulterated diets without any evidence of acute toxicity. The total amount of MGP and BaP consumed by mice ranged from 118 to 2604 mg and from 12 to 29 mg, respectively. Male mice fed a control or BaP diet and female mice fed a 0.05% MGP diet had the highest body weight gains. Male and female mice fed a 0.50% MGP diet had the lowest body weight gains. the bioavailability of chemical components of MGP was evaluated by monitoring the urinary excretion of PAH metabolites by male mice fed a 0.25% MGP diet. 1-Hydroxypyrene was determined by high-performance liquid chromatography analysis to be the major fluorescent metabolite excreted by mice throughout the 185 d of diet administration. At necropsy, no chemical-related gross lesions were detected. In addition, no treatment-related microscopic lesions were evident in tissues obtained from animals fed a 0.50% MGP- or BaP-adulterated diet. The [sup 32]P-postlabeling assay was used to evaluate MGP- and BaP-induced DNA adduct formation in lung and forestomach tissue. The level of DNA adducts formed from the chemical components of MGP paralleled the amount of material ingested by animals. Lung DNA adduct levels were considerably higher than forestomach levels when mice ingested a 0.25% or 0.50% MGP diet. These studies demonstrate that the continuous ingestion of MGP or BaP for 185 d does not result in acute toxicity or chemical-related lesions at doses up to 0.50% MGP or 0.005% BaP. 36 refs., 3 figs., 4 tabs.

  8. Simulation of the thermomechanical interaction between pellet and cladding and fission gas release

    International Nuclear Information System (INIS)

    Denis, Alicia C.; Soba, Alejandro

    2000-01-01

    This paper summarizes the present status of a computer code that simulates some of the main phenomena occurring in a fuel element of a nuclear power reactor throughout its life. Temperature distribution, thermal expansion, elastic and plastic strains, creep, mechanical interaction between pellet and cladding, fission gas release, swelling and densification are modeled. Thermal expansion gives origin to elastic or plastic strains, which adequately describe the bamboo effect. The code assumes an axial symmetric rod and hence, cylindrical finite elements are employed for the discretization. The fission gas inventory is calculated by means of a diffusion model, which assumes spherical grains and uses also a finite element scheme. Once the temperature distribution in the pellet and the cladding is obtained and in order to reduce the calculation time, the rod is divided into five cylindrical rings where the temperature is averaged. In each ring the gas diffusion problem is solved in one representative grain and the results are then extended to the whole ring. The pressure, increased by the released gas, interacts with the stress field. Densification and swelling due to solid and gaseous fission products are also considered. Experiments, particularly those of the FUMEX series, are simulated with this code. A good agreement is obtained for the fuel center line temperature, the inside rod pressure and the fractional gas release. (author)

  9. Residues of the UL25 Protein of Herpes Simplex Virus That Are Required for Its Stable Interaction with Capsids ▿

    Science.gov (United States)

    Cockrell, Shelley K.; Huffman, Jamie B.; Toropova, Katerina; Conway, James F.; Homa, Fred L.

    2011-01-01

    The herpes simplex virus 1 (HSV-1) UL25 gene product is a minor capsid component that is required for encapsidation, but not cleavage, of replicated viral DNA. UL25 is located on the capsid surface in a proposed heterodimer with UL17, where five copies of the heterodimer are found at each of the capsid vertices. Previously, we demonstrated that amino acids 1 to 50 of UL25 are essential for its stable interaction with capsids. To further define the UL25 capsid binding domain, we generated recombinant viruses with either small truncations or amino acid substitutions in the UL25 N terminus. Studies of these mutants demonstrated that there are two important regions within the capsid binding domain. The first 27 amino acids are essential for capsid binding of UL25, while residues 26 to 39, which are highly conserved in the UL25 homologues of other alphaherpesviruses, were found to be critical for stable capsid binding. Cryo-electron microscopy reconstructions of capsids containing either a small tag on the N terminus of UL25 or the green fluorescent protein (GFP) fused between amino acids 50 and 51 of UL25 demonstrate that residues 1 to 27 of UL25 contact the hexon adjacent to the penton. A second region, most likely centered on amino acids 26 to 39, contacts the triplex that is one removed from the penton. Importantly, both of these UL25 capsid binding regions are essential for the stable packaging of full-length viral genomes. PMID:21411517

  10. Fast and accurate multivariate Gaussian modeling of protein families: predicting residue contacts and protein-interaction partners.

    Directory of Open Access Journals (Sweden)

    Carlo Baldassi

    Full Text Available In the course of evolution, proteins show a remarkable conservation of their three-dimensional structure and their biological function, leading to strong evolutionary constraints on the sequence variability between homologous proteins. Our method aims at extracting such constraints from rapidly accumulating sequence data, and thereby at inferring protein structure and function from sequence information alone. Recently, global statistical inference methods (e.g. direct-coupling analysis, sparse inverse covariance estimation have achieved a breakthrough towards this aim, and their predictions have been successfully implemented into tertiary and quaternary protein structure prediction methods. However, due to the discrete nature of the underlying variable (amino-acids, exact inference requires exponential time in the protein length, and efficient approximations are needed for practical applicability. Here we propose a very efficient multivariate Gaussian modeling approach as a variant of direct-coupling analysis: the discrete amino-acid variables are replaced by continuous Gaussian random variables. The resulting statistical inference problem is efficiently and exactly solvable. We show that the quality of inference is comparable or superior to the one achieved by mean-field approximations to inference with discrete variables, as done by direct-coupling analysis. This is true for (i the prediction of residue-residue contacts in proteins, and (ii the identification of protein-protein interaction partner in bacterial signal transduction. An implementation of our multivariate Gaussian approach is available at the website http://areeweb.polito.it/ricerca/cmp/code.

  11. Fast and accurate multivariate Gaussian modeling of protein families: predicting residue contacts and protein-interaction partners.

    Science.gov (United States)

    Baldassi, Carlo; Zamparo, Marco; Feinauer, Christoph; Procaccini, Andrea; Zecchina, Riccardo; Weigt, Martin; Pagnani, Andrea

    2014-01-01

    In the course of evolution, proteins show a remarkable conservation of their three-dimensional structure and their biological function, leading to strong evolutionary constraints on the sequence variability between homologous proteins. Our method aims at extracting such constraints from rapidly accumulating sequence data, and thereby at inferring protein structure and function from sequence information alone. Recently, global statistical inference methods (e.g. direct-coupling analysis, sparse inverse covariance estimation) have achieved a breakthrough towards this aim, and their predictions have been successfully implemented into tertiary and quaternary protein structure prediction methods. However, due to the discrete nature of the underlying variable (amino-acids), exact inference requires exponential time in the protein length, and efficient approximations are needed for practical applicability. Here we propose a very efficient multivariate Gaussian modeling approach as a variant of direct-coupling analysis: the discrete amino-acid variables are replaced by continuous Gaussian random variables. The resulting statistical inference problem is efficiently and exactly solvable. We show that the quality of inference is comparable or superior to the one achieved by mean-field approximations to inference with discrete variables, as done by direct-coupling analysis. This is true for (i) the prediction of residue-residue contacts in proteins, and (ii) the identification of protein-protein interaction partner in bacterial signal transduction. An implementation of our multivariate Gaussian approach is available at the website http://areeweb.polito.it/ricerca/cmp/code.

  12. Interaction of residue tetracycline hydrochloride in milk with β-galactosidase protein by multi-spectrum methods and molecular docking

    Science.gov (United States)

    Gao, Xin; Bi, Hongna; Zuo, Huijun; Jia, Jingjing; Tang, Lin

    2017-08-01

    The purpose of this study was to explore the effect of residue tetracycline hydrochloride (TCH) in milk on molecular structure and activity of β-Gal. Inhibition kinetics assay showed the TCH inhibited β-Gal activity reversibly in a competitive manner. In addition, differences in the activity of β-Gal in the absence and presence of TCH as a function of pH and temperature were found although the optimum pH and temperature of β-Gal remained similar. Fluorescence experiment results showed that TCH effectively quenched the intrinsic fluorescence of β-Gal via static quenching. Thermodynamic parameters delineated the major roles of electrostatic forces played between β-Gal and TCH. Additionally, synchronous fluorescence and circular dichroism spectra (CD spectra) results indicated the secondary structure of β-Gal was changed due to the formation of β-Gal-TCH complexes. The molecular docking further revealed that TCH interacted with some amino acid residues of β-Gal, affecting the active site of the enzyme and thus leading to change in enzyme activity. These alterations in conformation and activity of β-Gal should be taken into consideration while using β-Gal for producing oligosaccharide prebiotics on dairy industries.

  13. Comparisons of the Maxwell and CLL gas/surface interaction models using DSMC

    Science.gov (United States)

    Hedahl, Marc O.; Wilmoth, Richard G.

    1995-12-01

    The behavior of two different models of gas-surface interactions is studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and the Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate represents one of the solar panels on the Magellan spacecraft, and the freestream conditions correspond to those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two-plate system is not representative of the Magellan geometry but is studied to explore possible experiments that might be used to differentiate between the two gas-surface interaction models. The Maxwell and CLL models produce qualitatively similar results for the aerodynamic forces and heat transfer on a single flat plate. However, the flow fields produced with the two models are qualitatively different for both the single-plate and two-plate calculations. These differences in the flowfield lead to predictions of the angle of attack for maximum heat transfer in a two plate configuration that are distinctly different for the two gas-surface interactions models.

  14. Identification of key amino acid residues in the hTGR5-nomilin interaction and construction of its binding model.

    Science.gov (United States)

    Sasaki, Takashi; Mita, Moeko; Ikari, Naho; Kuboyama, Ayane; Hashimoto, Shuzo; Kaneko, Tatsuya; Ishiguro, Masaji; Shimizu, Makoto; Inoue, Jun; Sato, Ryuichiro

    2017-01-01

    TGR5, a member of the G protein-coupled receptor (GPCR) family, is activated by bile acids. Because TGR5 promotes energy expenditure and improves glucose homeostasis, it is recognized as a key target in treating metabolic diseases. We previously showed that nomilin, a citrus limonoid, activates TGR5 and confers anti-obesity and anti-hyperglycemic effects in mice. Information on the TGR5-nomilin interaction regarding molecular structure, however, has not been reported. In the present study, we found that human TGR5 (hTGR5) shows higher nomilin responsiveness than does mouse TGR5 (mTGR5). Using mouse-human chimeric TGR5, we also found that three amino acid residues (Q77ECL1, R80ECL1, and Y893.29) are important in the hTGR5-nomilin interaction. Based on these results, an hTGR5-nomilin binding model was constructed using in silico docking simulation, demonstrating that four hydrophilic hydrogen-bonding interactions occur between nomilin and hTGR5. The binding mode of hTGR5-nomilin is vastly different from those of other TGR5 agonists previously reported, suggesting that TGR5 forms various binding patterns depending on the type of agonist. Our study promotes a better understanding of the structure of TGR5, and it may be useful in developing and screening new TGR5 agonists.

  15. Modelling of interactions between variable mass and density solid particles and swirling gas stream

    International Nuclear Information System (INIS)

    Wardach-Święcicka, I; Kardaś, D; Pozorski, J

    2011-01-01

    The aim of this work is to investigate the solid particles - gas interactions. For this purpose, numerical modelling was carried out by means of a commercial code for simulations of two-phase dispersed flows with the in-house models accounting for mass and density change of solid phase. In the studied case the particles are treated as spherical moving grains carried by a swirling stream of hot gases. Due to the heat and mass transfer between gas and solid phase, the particles are losing their mass and they are changing their volume. Numerical simulations were performed for turbulent regime, using two methods for turbulence modelling: RANS and LES.

  16. Asymmetric dark matter: residual annihilations and self-interactions arXiv

    CERN Document Server

    Baldes, Iason; Panci, Paolo; Petraki, Kalliopi; Sala, Filippo; Taoso, Marco

    Dark matter (DM) coupled to light mediators has been invoked to resolve the putative discrepancies between collisionless cold DM and galactic structure observations. However, $\\gamma$-ray searches and the CMB strongly constrain such scenarios. To ease the tension, we consider asymmetric DM. We show that, contrary to the common lore, detectable annihilations occur even for large asymmetries, and derive bounds from the CMB, $\\gamma$-ray, neutrino and antiproton searches. We then identify the viable space for self-interacting DM. Direct detection does not exclude this scenario, but provides a way to test it.

  17. Computational Analysis of Residue Interaction Networks and Coevolutionary Relationships in the Hsp70 Chaperones: A Community-Hopping Model of Allosteric Regulation and Communication.

    Directory of Open Access Journals (Sweden)

    Gabrielle Stetz

    2017-01-01

    Full Text Available Allosteric interactions in the Hsp70 proteins are linked with their regulatory mechanisms and cellular functions. Despite significant progress in structural and functional characterization of the Hsp70 proteins fundamental questions concerning modularity of the allosteric interaction networks and hierarchy of signaling pathways in the Hsp70 chaperones remained largely unexplored and poorly understood. In this work, we proposed an integrated computational strategy that combined atomistic and coarse-grained simulations with coevolutionary analysis and network modeling of the residue interactions. A novel aspect of this work is the incorporation of dynamic residue correlations and coevolutionary residue dependencies in the construction of allosteric interaction networks and signaling pathways. We found that functional sites involved in allosteric regulation of Hsp70 may be characterized by structural stability, proximity to global hinge centers and local structural environment that is enriched by highly coevolving flexible residues. These specific characteristics may be necessary for regulation of allosteric structural transitions and could distinguish regulatory sites from nonfunctional conserved residues. The observed confluence of dynamics correlations and coevolutionary residue couplings with global networking features may determine modular organization of allosteric interactions and dictate localization of key mediating sites. Community analysis of the residue interaction networks revealed that concerted rearrangements of local interacting modules at the inter-domain interface may be responsible for global structural changes and a population shift in the DnaK chaperone. The inter-domain communities in the Hsp70 structures harbor the majority of regulatory residues involved in allosteric signaling, suggesting that these sites could be integral to the network organization and coordination of structural changes. Using a network-based formalism of

  18. Interaction of cover and target with xenon gas in the IFE-reaction chamber

    International Nuclear Information System (INIS)

    Kuteev, Boris V.

    2001-11-01

    Interaction of a direct drive target and a cover, which is shielding the target against gas particle and heat flows in the reaction chamber of the Inertial Confinement Reactor, is considered. The cover is produced from solid gas -deuterium, neon of xenon. It is shown that at the SOMBRERO parameters the xenon cover with 5.6-mm size significantly reduces the heat flows onto the 4-mm target. The gas drag produces the deceleration of the target much larger than that for the cover due to large mass difference between them. The distance between the target and the cover is about 15 mm at the explosion point, which is sufficient for normal irradiation of the target by laser beams. Protection of the target against the wall radiation is necessary during the flight. Along with creation of reflecting layers over the target surface ablating layers from solid hydrogen or neon seem to be a solution. (author)

  19. The influence of nozzle diameters on the interaction characteristic of combustion-gas jets and liquid

    Directory of Open Access Journals (Sweden)

    Xiao-chun Xue

    2017-08-01

    Full Text Available To investigate the controlling method of interior ballistic stability of bulk-loaded propellant guns, the combustion-gas generator and cylindrical stepped-wall chamber are designed aiming at the injection processes of combustion-gases in liquid. The expansion courses of Taylor cavities and the turbulent mixing characteristic of gas–liquid are recorded by means of high speed photographic system. Based on the experiment, three-dimensional unsteady model on the interaction of gas and liquid is established to simulate expansion characteristics of twin combustion-gas jets in liquid under different nozzle diameters. The distribution regularities of characteristic parameter in jet field are obtained and analyzed. The results show the pressure, velocity and temperature distributions under different nozzle diameters are basically the same at the initial time. As time goes on, these characteristic parameters under different nozzle diameters have large differences.

  20. Fuel gas production from animal and agricultural residues and biomass. Quarterly coordination meeting, December 11-12, 1978, Denver, Colorado. Second Quarterly progress report

    Energy Technology Data Exchange (ETDEWEB)

    Wise, D L; Ashare, E; Wentworth, R L

    1979-01-05

    The tenth quarterly coordination meeting of the methane production group of the Fuels from Biomass Systems Branch, US Department of Energy was held at Denver, Colorado, December 11-12, 1978. Progress reports were presented by the contractors and a site visit was made to the Solar Energy Research Institute, Golden, Colorado. A meeting agenda, a list of attendees, and progress are presented. Report titles are: pipeline fuel gas from an environmental feedlot; operation of a 50,000 gallon anaerobic digester at the Monroe State Dairy Farm near Monroe, Washington; anaerobic fermentation of livestock and crop residues; anaerobic fermentation of agricultural residues - potential for improvement and implementation; heat treatment of organics for increasing anaerobic biodegradability; and biological conversion of biomass to methane. (DC)

  1. Chemical potential for the interacting classical gas and the ideal quantum gas obeying a generalized exclusion principle

    International Nuclear Information System (INIS)

    Sevilla, F J; Olivares-Quiroz, L

    2012-01-01

    In this work, we address the concept of the chemical potential μ in classical and quantum gases towards the calculation of the equation of state μ = μ(n, T) where n is the particle density and T the absolute temperature using the methods of equilibrium statistical mechanics. Two cases seldom discussed in elementary textbooks are presented with detailed calculations. The first one refers to the explicit calculation of μ for the interacting classical gas exemplified by van der Waals gas. For this purpose, we used the method described by van Kampen (1961 Physica 27 783). The second one refers to the calculation of μ for ideal quantum gases that obey a generalized Pauli's exclusion principle that leads to statistics that go beyond the Bose-Einstein and Fermi-Dirac cases. The audience targeted in this work corresponds mainly to advanced undergraduates and graduate students in the physical-chemical sciences but it is not restricted to them. In regard of this, we have put a special emphasis on showing some additional details of calculations that usually do not appear explicitly in textbooks. (paper)

  2. Population inversion in a recombining hydrogen plasma interacting with a helium gas

    International Nuclear Information System (INIS)

    Oda, Toshiatsu; Furukane, Utaro.

    1984-08-01

    A numerical investigation has shown that the population inversion between the levels with the principal quantum number i=2 and 3 takes place in a recombining hydrogen plasma which is interacting with a cool and dense helium gas on the basis of a collisional- radiative (CR) model. Overpopulation density Δn 32 , which is defined as the difference between the population densities per unit statistical weight of the upper and lower excited levels 3 and 2, is found to be much higher than a threshold level for the laser oscillation in the quasi-steady state when the hydrogen plasma with nsub(e) = 10 13 --10 14 cm -3 interacts with the helium gas with pressure of --50 Torr. (author)

  3. Determination of heat transfer coefficient for an interaction of sub-cooled gas and metal

    International Nuclear Information System (INIS)

    Sidek, Mohd Zaidi; Kamarudin, Muhammad Syahidan

    2016-01-01

    Heat transfer coefficient (HTC) for a hot metal surface and their surrounding is one of the need be defined parameter in hot forming process. This study has been conducted to determine the HTC for an interaction between sub-cooled gas sprayed on a hot metal surface. Both experiments and finite element have been adopted in this work. Initially, the designated experiment was conducted to obtain temperature history of spray cooling process. Then, an inverse method was adopted to calculate the HTC value before we validate in a finite element simulation model. The result shows that the heat transfer coefficient for interaction of subcooled gas and hot metal surface is 1000 W/m 2 K. (paper)

  4. Applications of ion implantation for modifying the interactions between metals and hydrogen gas

    Science.gov (United States)

    Musket, R. G.

    1989-04-01

    Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation, and hydrogen embrittlement. In particular, the results of the reviewed studies are (a) uranium hydriding suppressed by implantation of oxygen and carbon, (b) hydrogen gettered in iron and nickel using implantation of titanium, (c) hydriding of titanium catalyzed by implanted palladium, (d) tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and (e) hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals.

  5. Applications of ion implantation for modifying the interactions between metals and hydrogen gas

    International Nuclear Information System (INIS)

    Musket, R.G.

    1989-01-01

    Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation and hydrogen embrittlement. In particular, the results of the reviewed studies are 1. uranium hydriding suppressed by implantation of oxygen and carbon, 2. hydrogen gettered in iron and nickel using implantation of titanium, 3. hydriding of titanium catalyzed by implanted palladium, 4. tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and 5. hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals. (orig.)

  6. High energy electrons from interaction with a structured gas-jetat FLAME

    Czech Academy of Sciences Publication Activity Database

    Grittani, G.; Anania, M.P.; Gatti, G.; Giulietti, D.; Kando, M.; Krůs, Miroslav; Labate, L.; Levato, Tadzio; Londrillo, P.; Rossi, F.; Gizzi, L.A.

    2014-01-01

    Roč. 740, Mar (2014), s. 257-265 ISSN 0168-9002 R&D Projects: GA MŠk ED1.1.00/02.0061; GA MŠk EE.2.3.20.0087 Grant - others:ELI Beamlines(XE) CZ.1.05/1.1.00/02.0061; OP VK 2 LaserGen(XE) CZ.1.07/2.3.00/20.0087 Institutional support: RVO:68378271 Keywords : beam-plasma interactions * laser-plasma acceleration * ultra-intenselaser–matter interaction Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.216, year: 2014

  7. Interactions of Delta Shock Waves for Zero-Pressure Gas Dynamics with Energy Conservation Law

    Directory of Open Access Journals (Sweden)

    Wei Cai

    2016-01-01

    Full Text Available We study the interactions of delta shock waves and vacuum states for the system of conservation laws of mass, momentum, and energy in zero-pressure gas dynamics. The Riemann problems with initial data of three piecewise constant states are solved case by case, and four different configurations of Riemann solutions are constructed. Furthermore, the numerical simulations completely coinciding with theoretical analysis are shown.

  8. Cool infalling gas and its interaction with the hot ISM of elliptical galaxies

    Science.gov (United States)

    Sparks, W. B.; Macchetto, F. D.

    1990-01-01

    The authors describe work leading to the suggestion that interaction between infalling cool gas and ambient hot, coronal plasma in elliptical galaxies is responsible for emission filaments, and might remove the need for large mass depositions in cooling flows. A test of the hypothesis is undertaken - the run of surface brightness with radius for the emission lines - and the prediction agrees well with the data.

  9. Interaction-induced huge magnetoresistance in a high mobility two-dimensional electron gas

    Energy Technology Data Exchange (ETDEWEB)

    Bockhorn, L.; Haug, R. J. [Institut für Festkörperphysik, Leibniz Universität Hannover, D-30167 Hannover (Germany); Gornyi, I. V. [Institut für Nanotechnologie, Karlsruher Institut of Technology, D-76021 Karlsruhe (Germany); Schuh, D. [Institut für Experimentelle und Angewandte Physik, Universität Regensburg, D-93053 Regensburg (Germany); Wegscheider, W. [ETH Zürich (Switzerland)

    2013-12-04

    A strong negative magnetoresistance is observed in a high-mobility two-dimensional electron gas in a GaAs/Al{sub 0.3}Ga{sub 0.7}As quantum well. We discuss that the negative magnetoresistance consists of a small peak induced by a combination of two types of disorder and a huge magnetoresistance explained by the interaction correction to the conductivity for mixed disorder.

  10. Instability of interaction network for interstellar gas and interstellar diffusive energy in the shear field

    International Nuclear Information System (INIS)

    Fujimoto, Mitsuaki; Mizuno, Takao.

    1987-01-01

    A model network for interaction between interstellar gas and interstellar diffusive energy is considered in the shear field. Local linearized equations are derived around the equilibrium states which are realized when no shear field exists. A wavy perturbation is followed by employing the WKB method. It is concluded that the shear field brings about various unstable waves depending on their configuration. A great variety of observed dark and luminous pattern in spiral galaxies could be understood as related to these waves. (author)

  11. Bose gas with two- and three-particle interaction: evolution of soliton-like bubbles

    International Nuclear Information System (INIS)

    Barashenkov, I.V.; Kholmurodov, Kh.T.

    1988-01-01

    Solutions of the non-linear Schroedinger equation (NSE) for the Bose gas with two- and three-particle interaction are considered. Problems of soliton-like bubble existence, stability and evolution of the moving soliton are studied. It is shown that at D=2.3 for low-amplitude waves propagating at the transonic velocity the NSE is reduced to a two- and three-dimensional Kadomtsev-Petviashvili (KP) equation and the NSE bubble soliton transfers to the KP one

  12. Developing a high-quality scoring function for membrane protein structures based on specific inter-residue interactions

    Science.gov (United States)

    Heim, Andrew J.; Li, Zhijun

    2012-03-01

    Membrane proteins are of particular biological and pharmaceutical importance, and computational modeling and structure prediction approaches play an important role in studies of membrane proteins. Developing an accurate model quality assessment program is of significance to the structure prediction of membrane proteins. Few such programs are proposed that can be applied to a broad range of membrane protein classes and perform with high accuracy. We developed a new model scoring function Interaction-based Quality assessment (IQ), based on the analysis of four types of inter-residue interactions within the transmembrane domains of helical membrane proteins. This function was tested using three high-quality model sets: all 206 models of GPCR Dock 2008, all 284 models of GPCR Dock 2010, and all 92 helical membrane protein models of the HOMEP set. For all three sets, the scoring function can select the native structures among all of the models with the success rates of 93, 85, and 100% respectively. For comparison, these three model sets were also adopted for a recently published model assessment program for membrane protein structures, ProQM, which gave the success rates of 85, 79, and 92% separately. These results suggested that IQ outperforms ProQM when only the transmembrane regions of the models are considered. This scoring function should be useful for the computational modeling of membrane proteins.

  13. van der Waals Interactions in Hadron Resonance Gas: From Nuclear Matter to Lattice QCD.

    Science.gov (United States)

    Vovchenko, Volodymyr; Gorenstein, Mark I; Stoecker, Horst

    2017-05-05

    An extension of the ideal hadron resonance gas (HRG) model is constructed which includes the attractive and repulsive van der Waals (VDW) interactions between baryons. This VDW-HRG model yields the nuclear liquid-gas transition at low temperatures and high baryon densities. The VDW parameters a and b are fixed by the ground state properties of nuclear matter, and the temperature dependence of various thermodynamic observables at zero chemical potential are calculated within the VDW-HRG model. Compared to the ideal HRG model, the inclusion of VDW interactions between baryons leads to a qualitatively different behavior of second and higher moments of fluctuations of conserved charges, in particular in the so-called crossover region T∼140-190  MeV. For many observables this behavior resembles closely the results obtained from lattice QCD simulations. This hadronic model also predicts nontrivial behavior of net-baryon fluctuations in the region of phase diagram probed by heavy-ion collision experiments. These results imply that VDW interactions play a crucial role in the thermodynamics of hadron gas. Thus, the commonly performed comparisons of the ideal HRG model with the lattice and heavy-ion data may lead to misconceptions and misleading conclusions.

  14. The interaction between hot and cold gas in early-type galaxies

    Science.gov (United States)

    Bregman, Joel N.; Hogg, David E.; Roberts, Morton S.

    1995-01-01

    SO and Sa galaxies have approximately equal masses of H I and X-ray emitting gas and are ideal sites for studying the interaction between hot and cold gas. An X-ray observation of the Sa galaxy NGC 1291 with the ROSAT position sensitive proportional counter (PSPC) shows a striking spatial anticorrelation between hot and cold gas where X-ray emitting material fills the large central black hole in the H I disk. This supports a previous suggestion that hot gas is a bulge phenomenon and neutral hydrogen is a disk phenomenon. The X-ray luminosity (1.5 x 10(exp 40) ergs/s) and radial surface brightness distribution (beta = 0.51) is the same as for elliptical galaxies with optical luminosities and velocity dispersions like that of the bulge of NGC 1291. Modeling of the X-ray spectrum requires a component with a temperature of 0.15 keV, similar to that expected from the velocity dispersion of the stars, and with a hotter component where kT = 1.07 keV. This hotter component is not due to emission from stars and its origin remains unclear. PSPC observations are reported for the SO NGC 4203, where a nuclear point source dominates the emission, preventing a study of the radial distribution of the hot gas relative to the H I.

  15. Spring Chinook Salmon Interactions Indices and Residual/Precocial Monitoring in the Upper Yakima Basin, Annual Report 1998

    International Nuclear Information System (INIS)

    James, Brenda B.; Pearsons, Todd N.; McMichael, Geoffrey A.

    1999-01-01

    Select ecological interactions and spring chinook salmon residual/precocial abundance were monitored in 1998 as part of the Yakima/Klickitat Fisheries Project's supplementation monitoring program. Monitoring these variables is part of an effort to help evaluate the factors that contribute to, or limit supplementation success. The ecological interactions that were monitored were prey consumption, competition for food, and competition for space. The abundance of spring chinook salmon life-history forms that have the potential to be influenced by supplementation and that have important ecological and genetic roles were monitored (residuals and precocials). Residual spring chinook salmon do not migrate to the ocean during the normal emigration period and continue to rear in freshwater. Precocials are those salmon that precocially mature in freshwater. The purpose of sampling during 1998 was to collect baseline data one year prior to the release of hatchery spring chinook salmon which occurred during the spring of 1999. All sampling that the authors report on here was conducted in upper Yakima River during summer and fall 1998. The stomach fullness of juvenile spring chinook salmon during the summer and fall averaged 12%. The food competition index suggested that mountain whitefish (0.59), rainbow trout (0.55), and redside shiner (0.55) were competing for food with spring chinook salmon. The space competition index suggested that rainbow trout (0.31) and redside shiner (0.39) were competing for space with spring chinook salmon but mountain whitefish (0.05) were not. Age-0 spring chinook salmon selected a fairly narrow range of microhabitat parameters in the summer and fall relative to what was available. Mean focal depths and velocities for age 0 spring chinook salmon during the summer were 0.5 m ± 0.2 m and 0.26 m/s ± 0.19 m/s, and during the fall 0.5 m ± 0.2 m and 0.24 m/s ± 0.18 m/s. Among potential competitors, age 1+ rainbow trout exhibited the greatest degree

  16. Conserved surface residues on the feline calicivirus (FCV) capsid are essential for interaction with its receptor feline junctional adhesion molecule A (fJAM-A).

    Science.gov (United States)

    Lu, Zhengchun; Ledgerwood, Emily D; Hinchman, Meleana M; Dick, Robert; Parker, John S L

    2018-01-31

    Host cell surface receptors are required for attachment, binding, entry and infection by nonenveloped viruses. Receptor binding can induce conformational changes in the viral capsid and/or the receptor that couple binding with downstream events in the viral life cycle (intracellular signaling, endocytosis and trafficking, and membrane penetration). Virus-receptor interactions also influence viral spread and pathogenicity. The interaction between feline calicivirus (FCV) and its receptor feline Junctional Adhesion Molecule A (fJAM-A) on host cells is required for infection and induces irreversible, inactivating conformational changes in the capsid of some viral strains. Cryo-EM structures of FCV bound to fJAM-A showed several possible virus-receptor interactions. However, the specific residues on the viral capsid required for binding are not known. Capsid residues that may be involved in post-binding events have been implicated by isolation of soluble receptor-resistant (srr) mutants in which changes in the capsid protein sequence change the capacity of such srr mutants to be inactivated upon incubation with soluble fJAM-A. To clarify which residues on the surface of FCV are required for its interaction with fJAM-A, and to potentially identify residues required for post-receptor binding events, we used the existing atomic resolution structures of FCV and the FCV-fJAM-A cryo-EM structures to select 14 capsid residues for mutation and preparation of recombinant viral capsids. Using this approach, we identified residues on the FCV capsid that are required for fJAM-A binding and other residues not required for binding, but required for infection that are likely important for subsequent post-binding events. IMPORTANCE Feline calicivirus (FCV) is a common cause of mild upper respiratory disease in cats. Some FCV isolates can cause virulent systemic disease. The genetic determinants of virulence for FCV are unknown. We previously found that virulent FCV isolates have

  17. The equivalent of a thallium binding residue from an archeal homolog controls cation interactions in brain glutamate transporters.

    Science.gov (United States)

    Teichman, Shlomit; Qu, Shaogang; Kanner, Baruch I

    2009-08-25

    Glutamate transporters maintain low synaptic concentrations of neurotransmitter by coupling uptake to flux of other ions. Their transport cycle consists of two separate translocation steps, namely cotransport of glutamic acid with three Na(+) followed by countertransport of K(+). Two Tl(+) binding sites, presumed to serve as sodium sites, were observed in the crystal structure of a related archeal homolog and the side chain of a conserved aspartate residue contributed to one of these sites. We have mutated the corresponding residue of the eukaryotic glutamate transporters GLT-1 and EAAC1 to asparagine, serine, and cysteine. Remarkably, these mutants exhibited significant sodium-dependent radioactive acidic amino acid uptake when expressed in HeLa cells. Reconstitution experiments revealed that net uptake by the mutants in K(+)-loaded liposomes was impaired. However, with Na(+) and unlabeled L-aspartate inside the liposomes, exchange levels were around 50-90% of those by wild-type. In further contrast to wild-type, where either substrate or K(+) stimulated the anion conductance by the transporter, substrate but not K(+) modulated the anion conductance of the mutants expressed in oocytes. Both with wild-type EAAC1 and EAAC1-D455N, not only sodium but also lithium could support radioactive acidic amino acid uptake. In contrast, with D455S and D455C, radioactive uptake was only observed in the presence of sodium. Thus the conserved aspartate is required for transporter-cation interactions in each of the two separate translocation steps and likely participates in an overlapping sodium and potassium binding site.

  18. Self-contacts in Asx and Glx residues of high-resolution protein structures: role of local environment and tertiary interactions.

    Science.gov (United States)

    Pal, Tuhin Kumar; Sankararamakrishnan, Ramasubbu

    2008-08-01

    In protein structures, side-chains of asparagine and aspartic acid (Asx) and glutamine and glutamic acid (Glx) can approach their own backbone nitrogen or carbonyl group. We have systematically analyzed intra-residue contacts in Asx and Glx residues and their secondary structure preferences in two different datasets consisting of 500 and 1506 high-resolution structures. Intra-residue contact in an Asx/Glx residue between the heavy atoms of side-chain and main-chain functional groups of the same residue was investigated irrespective of whether such contacts are due to hydrogen bonding or not. Our search yielded 563 and 1462 cases of self-contacting Asx and Glx residues from the two datasets. Two important observations have been made in this analysis. First, self-contacts involving side-chain oxygen and backbone nitrogen atoms in majority of Asx residues are not due to hydrogen bonds. In the second instance, surprisingly, side-chain and backbone carbonyl oxygens of a significant number of Asx and Glx residues approach each other. For a wide-range of accessible surface areas, self-contacting residues are surrounded by less number of polar groups compared to all other Asx/Glx residues. In buried and partially buried regions, side-chain and main-chain functional groups of these residues together participate in simultaneous interactions with the available polar groups or water molecules. Asx/Glx residues with self-contacts are rarely observed in the middle of an alpha-helix or a beta-strand. Asx/Glx side-chain having contact with its own backbone nitrogen shows different capping preferences compared to those having contact with its backbone oxygen. Examples of proteins with multiple self-contacting Asx/Glx residues are found. We speculate that mutation of a self-contacting residue in the buried or partially buried region of a protein will destabilize the structure. The results of this analysis will help in engineering protein structures and site-directed mutagenesis

  19. Importance of the character and configuration of residues B24, B25, and B26 in insulin-receptor interactions

    International Nuclear Information System (INIS)

    Mirmira, R.G.; Nakagawa, S.H.; Tager, H.S.

    1991-01-01

    By use of isolated canine hepatocytes and insulin analogs prepared by trypsin-catalyzed semisynthesis, we have investigated the importance of the aromatic triplet PheB24-PheB25-TyrB26 of the COOH-terminal B-chain domain of insulin in directing the affinity of insulin-receptor interactions. Analysis of the receptor binding potencies of analogs bearing transpositions or replacements (by Tyr, D-Tyr or their corresponding 3,5-diiodo derivatives) in this region demonstrates a wide divergence in the acceptance both of configurational change (with [D-TyrB24,PheB26]insulin and [D-TyrB25,PheB26]insulin exhibiting 160 and 0.1% of the receptor binding potency of insulin, respectively) and of detailed side chain structure (with [TyrB24,PheB26]insulin and [TyrB25,PheB26]insulin exhibiting 2 and 80% of the receptor binding potency of insulin, respectively). Additional experiments addressed the solvent accessibilities of the 4 tyrosine residues of insulin and the insulin analogs at selected peptide concentrations by use of analytical radioiodination. Whereas two analogs ([TyrB25,PheB26]insulin and [D-TyrB24,PheB26]insulin) were found to undergo self aggregation, no strict correlation was found between the ability of an analog to aggregate and its potency for interaction with the insulin receptor. Related findings are discussed in terms of the interplay between side chain and main chain structure in the COOH-terminal domain of the insulin B-chain and the structural attributes of insulin that determine the affinity of insulin-receptor interactions

  20. Effect of the Basic Residue on the Energetics, Dynamics and Mechanisms of Gas- Phase Fragmentation of Protonated Peptides

    Energy Technology Data Exchange (ETDEWEB)

    Laskin, Julia; Yang, Zhibo; Song, Tao; Lam, Corey; Chu, Ivan K.

    2010-11-17

    The effect of the basic residue on the energetics, dynamics and mechanisms of backbone fragmentation of protonated peptides was investigated. Time- and collision energy-resolved surface-induced dissociation (SID) of singly protonated peptides with the N-terminal arginine residue and their analogs, in which arginine is replaced with less basic lysine and histidine residues was examined using in a specially configured Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS). SID experiments demonstrated very different kinetics of formation of several primary product ions of peptides with and without arginine residue. The energetics and dynamics of these pathways were determined from the RRKM modeling of the experimental data. Comparison between the kinetics and energetics of fragmentation of arginine-containing peptides and the corresponding methyl ester derivatives provides important information on the effect of dissociation pathways involving salt bridge (SB) intermediates on the observed fragmentation behavior. It is found that because pathways involving SB intermediates are characterized by low threshold energies, they efficiently compete with classical oxazolone pathways of arginine-containing peptides on a long timescale of the FT-ICR instrument. In contrast, fragmentation of histidine- and lysine-containing peptides is largely determined by classical oxazolone pathways. Because SB pathways are characterized by negative activation entropies, fragmentation of arginine-containing peptides is kinetically hindered and observed at higher collision energies as compared to their lysine- and histidine-containing analogs.

  1. Screening of the presence organophosphates and organochlorines pesticide residues in vegetables and fruits using gas chromatography-mass spectrometry

    Science.gov (United States)

    Putri, Dillani; Aryana, Nurhani; Aristiawan, Yosi; Styarini, Dyah

    2017-01-01

    Pesticides is commonly used to improve the quality of agricultural product, especially in vegetables and fruits. Due to pesticide residues in the product become a concern to consumer health, monitoring and analysis of pesticide residues in agriculture product need to be established. The certified reference material (CRM) is often benefited to obtain accurate results in analysis. It is required as the quality control to improve quality assurance of the testing results. Unfortunately in Indonesia, the development of matrix CRM for the analysis of pesticide residues in vegetables and fruits is still limited. This study is aimed to determine the type of commodity and target analyte to be employed in the development of CRM for pesticides in vegetables and fruits. As the preliminary study, the screening of 11 commodities of fresh vegetables and fruits has been conducted to review the information about the presence of organophosphates (OPs) and organochlorines (OCs) in the sample. In this analysis, QuEChERS technique was used in the extraction process and the qualitative analysis was evaluated by using GC-MS. The results showed that strawberry and celery contain residues of pesticide chlorpyrifos. Further analysis of the commodity celery from seven different places has been conducted, resulting that from 3 of all 7 samples (43%) were positive containing chlorpyrifos. Therefore, the development of CRM for chlorpyrifos in celery will be our next research project.

  2. DRY WELLS IN QUADRANT 25, 26 & 30 – GEOCHEMICAL INVESTIGATIONS INTO RESIDUAL OIL & GAS IN DRY WELLS

    OpenAIRE

    Maqbool, Waqas

    2014-01-01

    This thesis represents the findings concerning core samples from 15 examined exploration wells (with a total of 91 samples) on the eastern flank of the Viking Graben, North Sea, that were classified as dry by NPD (meaning no discovery of oil and gas). These samples were studied using geochemical methodology and analytical methods to evaluate if there might exist the remains of migrated oil or gas. Sample selection at NPD was based on apparent coloration or staining of the sandstone cores. The...

  3. Interaction of a neutral gas with a moving magnetised plasma : theory

    International Nuclear Information System (INIS)

    Varma, R.K.

    1977-01-01

    A theory of the interaction of a neutral gas with a moving magnetized plasma with particular reference to the direct interaction experiment of Danielsson is presented. It is shown that the velocity given by the equation (1): 1/2 Mn Vsub(c)sup(2) = ephisub(ion) is essentially the relative terminal velocity attained after the interaction is over. On the other hand, the threshold relative velocity required for an active interaction between the plasma and the neutral gas to occur is shown to be given approximately by the equation (2): 1/2 Msub(i)V 2 = ephisub(ion). For the gases used in the Danielsson experiment (H-plasma and neutral He) Vsub(c)sup((2)) = 2Vsub(c)sup((1)), where Vsub(c)sup((2)) is the value determined from Eq.(2), there is an indication to this effect in the results of the Danielsson experiment. The important observations recorded in the experiments of Danielsson (1970) and of Danielsson and Brenning (1975) are reviewed. Most of these observations are explained on the basis of the present model. (A.K.)

  4. Beth-Uhlenbeck approach for repulsive interactions between baryons in a hadron gas

    Science.gov (United States)

    Vovchenko, Volodymyr; Motornenko, Anton; Gorenstein, Mark I.; Stoecker, Horst

    2018-03-01

    The quantum mechanical Beth-Uhlenbeck (BU) approach for repulsive hard-core interactions between baryons is applied to the thermodynamics of a hadron gas. The second virial coefficient a2—the "excluded volume" parameter—calculated within the BU approach is found to be temperature dependent, and it differs dramatically from the classical excluded volume (EV) model result. At temperatures T =100 -200 MeV, the widely used classical EV model underestimates the EV parameter for nucleons at a given value of the nucleon hard-core radius by large factors of 3-4. Previous studies, which employed the hard-core radii of hadrons as an input into the classical EV model, have to be re-evaluated using the appropriately rescaled EV parameters. The BU approach is used to model the repulsive baryonic interactions in the hadron resonance gas (HRG) model. Lattice data for the second- and fourth-order net baryon susceptibilities are described fairly well when the temperature dependent BU baryonic excluded volume parameter corresponds to nucleon hard-core radii of rc=0.25 -0.3 fm. Role of the attractive baryonic interactions is also considered. It is argued that HRG model with a constant baryon-baryon EV parameter vN N≃1 fm3 provides a simple yet efficient description of baryon-baryon interaction in the crossover temperature region.

  5. Development and validation of a stability-indicating gas chromatographic method for quality control of residual solvents in blonanserin: a novel atypical antipsychotic agent.

    Science.gov (United States)

    Peng, Ming; Liu, Jin; Lu, Dan; Yang, Yong-Jian

    2012-09-01

    Blonanserin is a novel atypical antipsychotic agent for the treatment of schizophrenia. Ethyl alcohol, isopropyl alcohol and toluene are utilized in the synthesis route of this bulk drug. A new validated gas chromatographic (GC) method for the simultaneous determination of residual solvents in blonanserin is described in this paper. Blonanserin was dissolved in N, N-dimethylformamide to make a sample solution that was directly injected into a DB-624 column. A postrun oven temperature at 240°C for approximately 2 h after the analysis cycle was performed to wash out blonanserin residue in the GC column. Quantitation was performed by external standard analyses and the validation was carried out according to International Conference on Harmonization validation guidelines Q2A and Q2B. The method was shown to be specific (no interference in the blank solution), linear (correlation coefficients ≥0.99998, n = 10), accurate (average recoveries between 94.1 and 101.7%), precise (intra-day and inter-day precision ≤2.6%), sensitive (limit of detection ≤0.2 ng, and limit of quantitation ≤0.7 ng), robust (small variations of carrier gas flow, initial oven temperature, temperature ramping rate, injector and detector temperatures did not significantly affect the system suitability test parameters and peak areas) and stable (reference standard and sample solutions were stable over 48 h). This extensively validated method is ready to be used for the quality control of blonanserin.

  6. CO2 Biofixation by the Cyanobacterium Spirulina sp. LEB 18 and the Green Alga Chlorella fusca LEB 111 Grown Using Gas Effluents and Solid Residues of Thermoelectric Origin.

    Science.gov (United States)

    da Silva Vaz, Bruna; Costa, Jorge Alberto Vieira; de Morais, Michele Greque

    2016-01-01

    The concentration of carbon dioxide (CO2) in the atmosphere has increased from 280 to 400 ppm in the last 10 years, and the coal-fired power plants are responsible for approximately 22 % of these emissions. The burning of fossil fuel also produces a great amount of solid waste that causes serious industrial and environmental problems. The biological processes become interesting alternative in combating pollution and developing new products. The objective of this study was to evaluate the CO2 biofixation potential of microalgae that were grown using gaseous effluents and solid residues of thermoelectric origin. The microalgae Chlorella fusca LEB 111 presented higher rate of CO2 biofixation (42.8 %) (p Spirulina sp. LEB 18. The values for the CO2 biofixation rates and the kinetic parameters of Spirulina and Chlorella cells grown using combustion gas did not differ significantly from those of cells grown using CO2 and a carbon source in the culture media. These microalgae could be grown using ash derived from coal combustion, using the minerals present in this residue as the source of the essential metals required for their growth and the CO2 derived from the combustion gas as their carbon source.

  7. Validation of QuEChERS based method for determination of fenitrothion residues in tomatoes by gas chromatography-flame photometric detector: Decline pattern and risk assessment.

    Science.gov (United States)

    Malhat, Farag; Boulangé, Julien; Abdelraheem, Ehab; Abd Allah, Osama; Abd El-Hamid, Rania; Abd El-Salam, Shokr

    2017-08-15

    A simple and rapid gas chromatography with flame photometric detector (GC-FPD) determination method was developed to detect residue levels and investigate the dissipation pattern and safe use of fenitrothion in tomatoes. A modified quick, easy, cheap, effective, rugged, and safe (QuEChERS) using an ethyl acetate-based extraction, followed by a dispersive solid-phase extraction (d-SPE) with primary-secondary amine (PSA) and graphite carbon black (GCB) for clean up, was applied prior to GC-FPD analysis. The method showed satisfactory linearity, recovery and precision. The limits of detection (LOD) and quantification (LOQ) were 0.005 and 0.01mg/kg, respectively. The residue levels of fenitrothion were best described by first order kinetics with a half-life of 2.2days in tomatoes. The potential health risks posed by fenitrothion were not significant, based on supervised residue trial data. The current findings could provide guidance for safe and reasonable use of fenitrothion in tomatoes and prevent health problems to consumers. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Determination of cyflumetofen residue in water, soil, and fruits by modified quick, easy, cheap, effective, rugged, and safe method coupled to gas chromatography/tandem mass spectrometry.

    Science.gov (United States)

    Li, Minmin; Liu, Xingang; Dong, Fengshou; Xu, Jun; Qin, Dongmei; Zheng, Yongquan

    2012-10-01

    A new, highly sensitive, and selective method was developed for the determination of the cyflumetofen residue in water, soil, and fruits by using gas chromatography quadruple mass spectrometry. The target compound was extracted using acetonitrile and then cleaned up using dispersive solid-phase extraction with primary and secondary amine and graphitized carbon black, and optionally by a freezing-out cleanup step. The matrix-matched standards gave satisfactory recoveries and relative standard deviation values in different matrices at three fortified levels (0.05, 0.5, and 1.0 mg kg(-1) ). The overall average recoveries for this method in water, soil, and all fruits matrix at three fortified levels ranged from 76.3 to 101.5% with relative standard deviations in the range of 1.2-11.8% (n = 5). The calculated limits of detection and quantification were typically below 0.005 and 0.015 μg kg(-1), which were much lower than the maximum residue levels established by Japanese Positive List. This study provides a theoretical basis for China to draw up maximum residue level and analytical method for cyflumetofen acaricide in different fruits. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Conserved residues in the coiled-coil pocket of human immunodeficiency virus type 1 gp41 are essential for viral replication and interhelical interaction

    International Nuclear Information System (INIS)

    Mo Hongmei; Konstantinidis, Alex K.; Stewart, Kent D.; Dekhtyar, Tatyana; Ng, Teresa; Swift, Kerry; Matayoshi, Edmund D.; Kati, Warren; Kohlbrenner, William; Molla, Akhteruzzaman

    2004-01-01

    The human immunodeficiency virus type 1 (HIV-1) gp41 plays an important role in mediating the fusion of HIV with host cells. During the fusion process, three N-terminal helices and three C-terminal helices pack in an anti-parallel direction to form a six-helix bundle. X-ray crystallographic analysis of the gp41 core demonstrated that within each coiled-coil interface, there is a deep and large pocket, formed by a cluster of residues in the N-helix coiled-coil. In this report, we systematically analyzed the role of seven conserved residues that are either lining or packing this pocket on the infectivity and interhelical interaction using novel approaches. Our results show that residues L568, V570, W571, and K574 of the N-helix that are lining the side chain and right wall of the pocket are important for establishing a productive infection. Mutations V570A and W571A completely abolished replication, while replication of the L568A and K574A mutants was significantly attenuated relative to wild type. Similarly, residues W628, W631, and I635 of the C-helix that insert into the pocket are essential for infectivity. The impaired infectivity of these seven mutants is in part attributed to the loss in binding affinity of the interhelical interaction. Molecular modeling of the crystal structure of the coiled-coil further shows that alanine substitution of those residues disrupts the hydrophobic interaction between the N- and C-helix. These results suggest that the conserved residues in the coiled-coil domain play a key role in HIV infection and this coiled-coil pocket is a good target for development of inhibitors against HIV. In addition, our data indicate that the novel fluorescence polarization assay described in this study could be valuable in screening for inhibitors that block the interhelical interaction and HIV entry

  10. Numerical simulation of the gas-liquid interaction of a liquid jet in supersonic crossflow

    Science.gov (United States)

    Li, Peibo; Wang, Zhenguo; Sun, Mingbo; Wang, Hongbo

    2017-05-01

    The gas-liquid interaction process of a liquid jet in supersonic crossflow with a Mach number of 1.94 was investigated numerically using the Eulerian-Lagrangian method. The KH (Kelvin-Helmholtz) breakup model was used to calculate the droplet stripping process, and the secondary breakup process was simulated by the competition of RT (Rayleigh-Taylor) breakup model and TAB (Taylor Analogy Breakup) model. A correction of drag coefficient was proposed by considering the compressible effects and the deformation of droplets. The location and velocity models of child droplets after breakup were improved according to droplet deformation. It was found that the calculated spray features, including spray penetration, droplet size distribution and droplet velocity profile agree reasonably well with the experiment. Numerical results revealed that the streamlines of air flow could intersect with the trajectory of droplets and are deflected towards the near-wall region after they enter into spray zone around the central plane. The analysis of gas-liquid relative velocity and droplet deformation suggested that the breakup of droplets mainly occurs around the front region of the spray where gathered a large number of droplets with different sizes. The liquid trailing phenomenon of jet spray which has been discovered by the previous experiment was successfully captured, and a reasonable explanation was given based on the analysis of gas-liquid interaction process.

  11. Development of a multi-residue screening method for the determination of pesticides in cereals and dry animal feed using gas chromatography-triple quadrupole tandem mass spectrometry.

    Science.gov (United States)

    Walorczyk, Stanisław

    2007-09-21

    A multi-residue screening method for simultaneous analysis of 122 gas chromatography amenable pesticides in dry matrices such as cereal grain and certain feedingstuffs was developed. The method entails a simple extraction of re-hydrated sample with acetonitrile followed by a dispersive solid phase extraction (dispersive-SPE) clean-up step prior to the final determination by gas chromatography/triple quadrupole tandem mass spectrometry (GC-MS/MS). Due to complexity of analyzed matrices, two MS/MS transitions were set for each pesticide to eliminate the need for re-analysis of potentially positive samples, and provide unequivocal identification of detected pesticides in accordance with recent guidelines, in a single analytical run. Thus, in the developed GC-MS/MS acquisition method, a total of 216 different multiple reactions monitoring (MRM) transitions were monitored in one set of experimental conditions. To evaluate performance of the method, validation experiments were carried out on wheat grain at three spiking levels (0.01, 0.02 and 0.05 mg kg(-1)). Additional recovery tests at 0.05 mg kg(-1) were carried out on several other matrices. The recoveries ranged between 73 and 129% with associated relative standard deviations between 1 and 29% for the majority of pesticides. Limits of detection were less or equal to 0.01 mg kg(-1) for approximately 68% of pesticides. The applicability of the proposed method to detect and quantify pesticide residues has been demonstrated in the analysis of 136 real samples. Additionally, the method was favorably compared with an acetone extraction method (accepted as a reference method by some of European and U.S. authorities) in the analysis of real samples known to contain pesticide residues.

  12. Simulating gas-aerosol-cirrus interactions: Process-oriented microphysical model and applications

    Directory of Open Access Journals (Sweden)

    B. Kärcher

    2003-01-01

    Full Text Available This work describes a process-oriented, microphysical-chemical model to simulate the formation and evolution of aerosols and ice crystals under the conditions prevailing in the upper troposphere and lower stratosphere. The model can be run as a box model or along atmospheric trajectories, and considers mixing, gas phase chemistry of aerosol precursors, binary homogeneous aerosol nucleation, homogeneous and heterogeneous ice nucleation, coagulation, condensation and dissolution, gas retention during particle freezing, gas trapping in growing ice crystals, and reverse processes. Chemical equations are solved iteratively using a second order implicit integration method. Gas-particle interactions and coagulation are treated over various size structures, with fully mass conserving and non-iterative numerical solution schemes. Particle types include quinternary aqueous solutions composed of H2SO4, HNO3, HCl, and HBr with and without insoluble components, insoluble aerosol particles, and spherical or columnar ice crystals deriving from each aerosol type separately. Three case studies are discussed in detail to demonstrate the potential of the model to simulate real atmospheric processes and to highlight current research topics concerning aerosol and cirrus formation near the tropopause. Emphasis is placed on how the formation of cirrus clouds and the scavenging of nitric acid in cirrus depends on small-scale temperature fluctuations and the presence of efficient ice nuclei in the tropopause region, corroborating and partly extending the findings of previous studies.

  13. Low-energy structure studies of odd-odd deformed nuclei and the coriolis and residual interactions

    Energy Technology Data Exchange (ETDEWEB)

    Dewberry, R.A.

    1980-08-01

    The nuclear level structure of /sup 176/Lu, /sup 170/Tm, /sup 166/Ho, and /sup 160/Tb have been studied by means of the /sup 177/Hf(t,..cap alpha..)/sup 176/Lu, /sup 171/Yb(t,..cap alpha..)/sup 170/Tm, /sup 167/Er(t,..cap alpha..)/sup 166/Ho, and /sup 161/Dy(t,..cap alpha..)/sup 160/Tb reactions and with the use of previously published (d,p) spectroscopy and gamma transitions from the (n,..gamma..) reactions. The (t,..cap alpha..) reactions have been performed and analyzed with 17 MeV tritons and the Los Alamos Q3D spectrometer. Eighty-one new rotational states in excited proton configurations or vibrational excited states are proposed. An independent parameterization of the Coriolis interaction is presented, which leads to satisfactory results in reproducing experimental single-particle transfer reaction cross-sections by theoretical calculations. The anomalous population of the excited neutron configurations (404 reduces to -624 up arrow) in /sup 176/Lu and (411 reduces to +- 512 up arrow) in /sup 170/Tm, and the anomalously low (t,..cap alpha..) cross-sections of the (411 up arrow +- 633 up arrow) configuration in /sup 166/Ho are observed. Qualitative explanation of the anomalies is presented in terms of the mixing of states which satisfy the requirement delta/sub I'/,/sub I/delta/sub K'/,/sub K/. Off-diagonal H/sub INT/ matrix elements are calculated, which show that the residual interaction cannot be used to account for the magnitude of the cross-sections observed.

  14. Contribution to the study of the interactions between residual stresses and oxygen dissolution in a reactive deformable solid

    International Nuclear Information System (INIS)

    Raceanu, Laura

    2011-01-01

    The aim of this PhD work is to highlight the interactions between the mechanical stress and the chemical composition within diffusion of matter process for a reactive solid. The chronological evolution of our work goes from a parametric numerical study to an experimental study and reveals the role of mechanical stresses on the oxygen diffusion process. Different origins of mechanical stress were first numerically analysed from the point of view of their impacts on the process of oxygen diffusion into a metal (Zr) or a ceramic (UO 2 ) subjected to an oxidizing environment. This approach allowed us: - to identify a surface treatment (shot-peening) able to generate a residual specific stress field, as a starting point for an experimental study implementation in order to validate the numerical study conclusions; - to highlight the ability of the stress field on the stabilisation of the morphology of an undulated metal/oxide interface (case of Zr). In the experimental approach, different techniques were used to characterize the material (GDOS, SEM, TGA, hole-drilling method, micro-hardness tests). They permitted the detection of a strong influence of shot-peening on the oxidation rate. The comparison of experimental and numerical simulation results reveals strong interactions between stress and compositions fields induced by the different treatments (shot-peening and/or pre-oxidation). This study opens up many opportunities in the understanding of multi-physics coupling effects being very useful for the optimization of mechanical and chemical surface-treatments, able furthermore to favour the diffusion (nitriding, cementation) or to slow it down (corrosion). (author) [fr

  15. Inhibition by etomoxir of rat liver carnitine octanoyltransferase is produced through the co-ordinate interaction with two histidine residues.

    Science.gov (United States)

    Morillas, M; Clotet, J; Rubí, B; Serra, D; Ariño, J; Hegardt, F G; Asins, G

    2000-10-15

    Rat peroxisomal carnitine octanoyltransferase (COT), which facilitates the transport of medium-chain fatty acids through the peroxisomal membrane, is irreversibly inhibited by the hypoglycaemia-inducing drug etomoxir. To identify the molecular basis of this inhibition, cDNAs encoding full-length wild-type COT, two different variant point mutants and one variant double mutant from rat peroxisomal COT were expressed in Saccharomyces cerevisiae, an organism devoid of endogenous COT activity. The recombinant mutated enzymes showed activity towards both carnitine and decanoyl-CoA in the same range as the wild type. Whereas the wild-type version expressed in yeast was inhibited by etomoxir in an identical manner to COT from rat liver peroxisomes, the activity of the enzyme containing the double mutation H131A/H340A was completely insensitive to etomoxir. Individual point mutations H131A and H340A also drastically reduced sensitivity to etomoxir. Taken together, these results indicate that the two histidine residues, H131 and H340, are the sites responsible for inhibition by etomoxir and that the full inhibitory properties of the drug will be shown only if both histidines are intact at the same time. Our data demonstrate that both etomoxir and malonyl-CoA inhibit COT by interacting with the same sites.

  16. The behaviour of population in a plasma interacting with an atomic gas

    International Nuclear Information System (INIS)

    Furukane, Utaro; Oda, Toshiatsu.

    1983-01-01

    The processes leading to the population inversion are investigated in a recombining hydrogen plasma which is interacting with a cool and dense neutral hydrogen gas by using the rate equations on the basis of the CR model and the energy equation for electrons ions and neutral parlicles. The quasi-steady state approximation are used only for the levels higher than a certain level which is not the first excited level. The calculations have shown that the quasi-steady state cannot be realized while intense energy-flows due to the collisional processes exist between different kinds of the particles such as the electrons and the ions in the plasma and the population inversion is realized only in the quasi-steady state following the transient phase. The effects of the initial conditions of the hydrogen plasma and the introduced neutral hydrogen gas on the overpopulation density are also discussed. (author)

  17. Interactions of gas molecules with monolayer MoSe{sub 2}: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Munish, E-mail: munishsharmahpu@live.com; Jamdagni, Pooja; Ahluwalia, P. K. [Department. of Physics, Himachal Pradesh University, Shimla, H. P., 171005 (India); Kumar, Ashok [Centre for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, 151001(India)

    2016-05-23

    We present a first principle study of interaction of toxic gas molecules (NO, NO{sub 2} and SO{sub 2}) with monolayer MoSe{sub 2}. The predicted order of sensitivity of gas molecule is NO{sub 2} > SO{sub 2} > NO. Adsorbed molecules strongly influence the electronic behaviour of monolayer MoSe{sub 2} by inducing impurity levels in the vicinity of Fermi energy. NO and SO{sub 2} is found to induce p-type doping effect while semiconductor to metallic transitions occur on NO{sub 2} adsorption. Our findings may guide the experimentalist for fabricating sensor devices based on MoSe{sub 2} monolayer.

  18. Determination of pesticide residues (> 0.5 microg/L) in soft drinks and sports drinks by gas chromatography with mass spectrometry: collaborative study.

    Science.gov (United States)

    Miller, Kathleen D; Milne, Paul

    2008-01-01

    A collaborative study was conducted on a method for the measurement of 19 low-level pesticide residues in soft drinks and sports drinks by gas chromatography with mass spectrometry (GC/MS). The pesticide residues determined were 2,4'-dichlorodiphenyldichloroethylene (2,4'-DDE); 2,4'-dichlorodiphenyldichloroethane (2,4'-DDD); 4,4'-dichlorodiphenyldichloroethylene (4,4'-DDE); 2,4'-dichlorodiphenyltrichloroethane (2,4'-DDT); 4,4'-dichlorodiphenyltrichloroethane (4,4'-DDT); 4,4'-dichlorodiphenyldichloroethane (4,4'-DDD); alpha-endosulfan; endosulfan-sulfate; dieldrin; aldrin; ethion; chlorpyrifos; beta-endosulfan; malathion; methyl-parathion; alpha-hexachlorocyclohexane (alpha-HCH); beta-HCH; delta-HCH; and gamma-HCH. Blind fortification solutions containing 4 different levels of pesticide residues (0, 0.1, 0.5, and 1.0 microg/L) were provided to 8 collaborating laboratories who used them to create test samples in 6 matrixes (also provided): 2 colas, a diet cola, a clear lemon-lime soft drink, an orange soft drink, and a sports drink. Reproducibility (RSDR) for all 19 pesticide residues in all matrixes ranged from 7 to 151% at the 0.1 microg/L level, 11 to 121% at 0.5 microg/L, and 14 to 67% at 1.0 microg/L. Repeatability (RSDr), applicable to the diet cola and the sports drink, ranged from 1 to 76% for the 19 pesticide residues at the 0.1 microg/L level, 9 to 38% at 0.5 microg/L, and 9 to 38% at 1.0 microg/L. Recoveries for the 19 pesticide residues in all matrixes ranged from 77 to 645% at the 0.1 microg/L level, 60 to 231% at 0.5 microg/L, and 61 to 146% at 1.0 microg/L. It is recommended that the method be accepted by AOAC as Official First Action with a limit of quantification (LOQ) equal to 0.5 microg/L for 4,4'-DDT; 2,4'-DDT; 2,4'-DDD; 4,4'-DDE; 4,4'-DDD; 2,4'-DDE; aldrin; dieldrin; alpha-endosulfan; endosulfan-sulfate; chlorpyrifos; and ethion, and an LOQ equal to 1.0 microg/L for beta-endosulfan; alpha-HCH; beta-HCH; delta-HCH; gamma-HCH; methyl-parathion; and

  19. Dipole–dipole interactions in a hot atomic vapor and in an ultracold gas of Rydberg atoms

    Science.gov (United States)

    Sautenkov, V. A.; Saakyan, S. A.; Bronin, S. Ya; Klyarfeld, A. B.; Zelener, B. B.; Zelener, B. V.

    2018-01-01

    In our paper ideal and non-ideal gas media of neutral atoms are analyzed. The first we discuss a dipole broadening of atomic transitions in excited dilute and dense metal vapors. Then the theoretical studies of the dipole–dipole interactions in dense ultracold gas of Rydberg atoms are considered. Possible future experiments on a base of our experimental arrangement are suggested.

  20. Evaluation of Chemical Interactions between Small Molecules in the Gas Phase Using Chemical Force Microscopy.

    Science.gov (United States)

    Lee, Jieun; Ju, Soomi; Kim, In Tae; Jung, Sun-Hwa; Min, Sun-Joon; Kim, Chulki; Sim, Sang Jun; Kim, Sang Kyung

    2015-12-04

    Chemical force microscopy analyzes the interactions between various chemical/biochemical moieties in situ. In this work we examined force-distance curves and lateral force to measure the interaction between modified AFM tips and differently functionalized molecular monolayers. Especially for the measurements in gas phase, we investigated the effect of humidity on the analysis of force-distance curves and the images in lateral force mode. Flat chemical patterns composed of different functional groups were made through micro-contact printing and lateral force mode provided more resolved analysis of the chemical patterns. From the images of 1-octadecanethiol/11-mercapto-1-undecanoic acid patterns, the amine group functionalized tip brought out higher contrast of the patterns than an intact silicon nitride tip owing to the additional chemical interaction between carboxyl and amine groups. For more complex chemical interactions, relative chemical affinities toward specific peptides were assessed on the pattern of 1-octadecanethiol/phenyl-terminated alkanethiol. The lateral image of chemical force microscopy reflected specific preference of a peptide to phenyl group as well as the hydrophobic interaction.

  1. Superconducting transition temperature: Interacting Fermi gas and phonon mechanisms in the nonadiabatic regime

    Science.gov (United States)

    Gor'kov, Lev P.

    2016-02-01

    We analyze the mathematical structure of equations for temperature TC of the superconductivity transition in a gas of interacting Fermi particles or at the phonon-mediated pairing in a metal in the case of nonadiabatic conditions ω0≥EF , i.e., when the characteristic phonon frequency ω0 is comparable or larger than the Fermi energy EF. As the methods of calculating TC in common superconductors are not applicable in the nonadiabatic regime, the integral equations for TC are derived in the logarithmic approximation. The new equations contain no divergent terms in the antiadiabatic limit. The results can be immediately generalized to anisotropic band superconductors.

  2. An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

    Science.gov (United States)

    Pratt, B. S.; Pratt, D. T.

    1984-01-01

    A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces.

  3. Protogalaxy interactions in newly formed clusters: Galaxy luminosities, colors, and intergalactic gas

    International Nuclear Information System (INIS)

    Silk, J.

    1978-01-01

    The role of protogalaxy interactions in galactic evolution is studied during the formation of galaxy clusters. In the early stages of the collapse, coalescent encounters of protogalaxies lead to the development of a galactic luminosity function. Once galaxies acquire appreciable random motions, mutual collisions between galaxies in rich clusters will trigger the collapse of interstellar clouds to form stars. This provides both a source for enriched intracluster gas and an interpretation of the correlation between luminosity and color for cluster elliptical galaxies. Other observational consequences that are considered include optical, X-ray, and diffuse nonthermal radio emission from newly formed clusters of galaxies

  4. High-resolution diffraction for residual stress determination in the NiCrMoV wheel of an axial compressor for a heavy-duty gas turbine

    Science.gov (United States)

    Rogante, M.; Török, G.; Ceschini, G. F.; Tognarelli, L.; Füzesy, I.; Rosta, L.

    2004-07-01

    The wheel of an axial compressor for a heavy-duty gas turbine has been investigated for residual stresses (RS) evaluation of the teeth-section where SANS measurements have previously been performed. Such a component can contain internal RS, either due to the manufacturing process, or to the operating cycles fatigue. The constitutive material is a NiCrMoV steel to ASTM A 471 (type 2) norms (equivalent to B50A420B10); this material is usually adopted in the manufacturing of forged components for gas turbines. Internal radial and hoop RS have been determined, whose values are under the limit of 200kPa. Hoop RS, in general, resulted in higher value than the radial ones. The present experiment represents a particularly important step in the RS determination for gas turbine components, since the measurements reveal that the fatigue of the wheel is also a lifetime limiting factor although, in the same technological field, the available data in the actual neutron techniques literature mainly concern turbine buckets.

  5. High-resolution diffraction for residual stress determination in the NiCrMoV wheel of an axial compressor for a heavy-duty gas turbine

    International Nuclear Information System (INIS)

    Rogante, M.; Toeroek, G.; Ceschini, G.F.; Tognarelli, L.; Fuezesy, I.; Rosta, L.

    2004-01-01

    The wheel of an axial compressor for a heavy-duty gas turbine has been investigated for residual stresses (RS) evaluation of the teeth-section where SANS measurements have previously been performed. Such a component can contain internal RS, either due to the manufacturing process, or to the operating cycles fatigue. The constitutive material is a NiCrMoV steel to ASTM A 471 (type 2) norms (equivalent to B50A420B10); this material is usually adopted in the manufacturing of forged components for gas turbines. Internal radial and hoop RS have been determined, whose values are under the limit of 200 kPa. Hoop RS, in general, resulted in higher value than the radial ones. The present experiment represents a particularly important step in the RS determination for gas turbine components, since the measurements reveal that the fatigue of the wheel is also a lifetime limiting factor although, in the same technological field, the available data in the actual neutron techniques literature mainly concern turbine buckets

  6. Sequence analysis and structure prediction of enoyl-CoA hydratase from Avicennia marina: implication of various amino acid residues on substrate-enzyme interactions.

    Science.gov (United States)

    Jabeen, Uzma; Salim, Asmat

    2013-10-01

    Enoyl-CoA hydratase catalyzes the hydration of 2-trans-enoyl-CoA into 3-hydroxyacyl-CoA. The present study focuses on the correlation between the functional and structural aspects of enoyl-CoA hydratase from Avicennia marina. We have used bioinformatics tools to construct and analyze 3D homology models of A. marina enoyl-CoA hydratase (AMECH) bound to different substrates and inhibitors and studied the residues involved in the ligand-enzyme interaction. Structural information obtained from the models was compared with those of the reported crystal structures. We observed that the overall folds were similar; however, AMECH showed few distinct structural changes which include structural variation in the mobile loop, formation and loss of certain interactions between the active site residues and substrates. Some changes were also observed within specific regions of the enzyme. Glu106 is almost completely conserved in sequences of the isomerases/hydratases including AMECH while Glu86 which is the other catalytic residue in most of the isomerases/hydratases is replaced by Gly and shows no interaction with the substrate. Asp114 is located within 4Å distance of the catalytic water which makes it a probable candidate for the second catalytic residue in AMECH. Another prominent feature of AMECH is the presence of structurally distinct mobile loop having a completely different coordination with the hydrophobic binding pocket of acyl portion of the substrate. Copyright © 2013 Elsevier Ltd. All rights reserved.

  7. Application of Gas Chromatography Coupled to Quadrupole-Orbitrap Mass Spectrometry for Pesticide Residue Analysis in Cereals and Feed Ingredients.

    Science.gov (United States)

    Tienstra, Marc; Mol, Hans G J

    2018-03-01

    A method for residue analysis of pesticides and polychlorinated biphenyls in cereals and feed ingredients based on QuEChERS extraction, programmed temperature vaporizer large-volume injection, and GC with electron ionization (EI) quadrupole Orbitrap full-scan high-resolution MS (60 000 full width at half-maximum at m/z 200) has been developed. In addition to full-scan acquisition, simultaneous full-scan and selected-ion monitoring acquisition was used to improve detectability in incidental cases in which analytes coeluted with intense signals from coextractants. The method was successfully validated down to 10 µg/kg for a single commodity (wheat) using matrix-matched calibration, and for multiple-feed matrixes using standard addition. Identification according to European Union requirements was achieved in >90% of the analyte/matrix combinations, and suggestions for further increasing identification rates have been made. Performance characteristics were compared to an existing method for residue analysis based on GC with EI tandem MS (triple quadrupole).

  8. Direct evidence of three-body interactions in a cold 85Rb Rydberg gas

    International Nuclear Information System (INIS)

    Han Jianing

    2010-01-01

    Cold Rydberg atoms trapped in a magneto-optical trap (MOT) are not isolated and they interact through dipole-dipole and multipole-multipole interactions. First-order dipole-dipole interactions and van der Waals interactions between two atoms have been intensively studied. However, the facts that the first-order dipole-dipole interactions and van der Waals interactions show the same size of broadening [A. Reinhard, K. C. Younge, T. C. Liebisch, B. Knuffman, P. R. Berman, and G. Raithel, Phys. Rev. Lett. 100, 233201 (2008)] and there are transitions between two dimer states [S. M. Farooqi, D. Tong, S. Krishnan, J. Stanojevic, Y. P. Zhang, J. R. Ensher, A. S. Estrin, C. Boisseau, R. Cote, E. E. Eyler, and P. L. Gould, Phys. Rev. Lett. 91, 183002 (2003); K. R. Overstreet, Arne Schwettmann, Jonathan Tallant, and James P. Shaffer, Phys. Rev. A 76, 011403(R) (2007)] cannot be explained by the two-atom picture. The purpose of this article is to show the few-body nature of a dense cold Rydberg gas by studying the molecular-state microwave spectra. Specifically, three-body energy levels have been calculated. Moreover, the transition from three-body energy levels to two-body coupled molecular energy levels and to isolated atomic energy levels as a function of the internuclear spacing is studied. Finally, single-body, two-body, and three-body interaction regions are estimated according to the experimental data. The results reported here provides useful information for plasma formation, further cooling, and superfluid formation.

  9. Direct evidence of three-body interactions in a cold Rb85 Rydberg gas

    Science.gov (United States)

    Han, Jianing

    2010-11-01

    Cold Rydberg atoms trapped in a magneto-optical trap (MOT) are not isolated and they interact through dipole-dipole and multipole-multipole interactions. First-order dipole-dipole interactions and van der Waals interactions between two atoms have been intensively studied. However, the facts that the first-order dipole-dipole interactions and van der Waals interactions show the same size of broadening [A. Reinhard, K. C. Younge, T. C. Liebisch, B. Knuffman, P. R. Berman, and G. Raithel, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.100.233201 100, 233201 (2008)] and there are transitions between two dimer states [S. M. Farooqi, D. Tong, S. Krishnan, J. Stanojevic, Y. P. Zhang, J. R. Ensher, A. S. Estrin, C. Boisseau, R. Cote, E. E. Eyler, and P. L. Gould, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.91.183002 91, 183002 (2003); K. R. Overstreet, Arne Schwettmann, Jonathan Tallant, and James P. Shaffer, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.76.011403 76, 011403(R) (2007)] cannot be explained by the two-atom picture. The purpose of this article is to show the few-body nature of a dense cold Rydberg gas by studying the molecular-state microwave spectra. Specifically, three-body energy levels have been calculated. Moreover, the transition from three-body energy levels to two-body coupled molecular energy levels and to isolated atomic energy levels as a function of the internuclear spacing is studied. Finally, single-body, two-body, and three-body interaction regions are estimated according to the experimental data. The results reported here provides useful information for plasma formation, further cooling, and superfluid formation.

  10. Critical temperature transition of an interacting Boson-Fermion mixture gas

    International Nuclear Information System (INIS)

    Nguyen Tuan Anh

    2007-01-01

    We study the self-consistent theory of Bose-Einstein condensation in the dilute interacting boson-fermion mixture gas at finite temperature. First, we generalize the idea of the theory using the 2PI effective action formalism. Second, we show the effects of repulsive interactions on the critical temperature for the Bose-Einstein transition. The calculations provide the lowest order correction of the critical temperature (at constant density) by a positive amount proportional to the scattering length a bf and the fermion density n f . The change of the critical temperature yields T c ≅ T 0 + c 1 .a bf /m bf .n f , with c 1 = 2.342. (author)

  11. Magnetism of singlet - singlet ions interacting with an electron gas: application to PrAl2

    International Nuclear Information System (INIS)

    Palermo, L.

    1986-01-01

    Various magnetic quantities are investigated for a system consisting of singlet-singlet ions interacting with an electron gas. In obtaining the magnetic state equations, the molecular field approximation is used. At T=0, an onset magnetic order condition in function of crystal field and exchange parameters and eletronic density of states at Fermi level is derived. A parametric study of the model is performed numerically. Main results are shown on diagrams. From the experimental data existent in the literature for magnetisation, susceptibility and magnetic specific heat of the PrAl 2 , a fitting with the model predictions is obtained using the following parameters: exchange interaction: 611meV; crystal field parameters: 2,5 meV; band with: 10 eV (of a rectangular density of states with 0,8 el/atom). (author) [pt

  12. Determination of pyrethroid pesticide residues in processed fruits and vegetables by gas chromatography with electron capture and mass spectrometric detection.

    Science.gov (United States)

    Sannino, Anna; Bandini, Mirella; Bolzoni, Luciana

    2003-01-01

    A gas chromatographic method was developed for the simultaneous determination of 12 pyrethroids (tefluthrin, bifenthrin, fenpropathrin, cyhalothrin, permethrin, cyfluthrin, cypermethrin, alpha-cypermethrin, flucythrinate, fenvalerate, fluvalinate, and deltamethrin) in tomato puree, peach nectar, orange juice, and canned peas. A miniaturized extraction-partition procedure requiring small amounts of nonchlorinated solvents is used. Samples are extracted with acetone, partitioned with ethyl acetate-cyclohexane (50 + 50, v/v), and cleaned up on a Florisil cartridge. The final extract is analyzed by gas chromatography with both electron capture and mass spectrometric detection modes. Studies at fortification levels of 0.010-0.100 mg/kg gave mean recoveries ranging from 70.2 to 96.0% and coefficients of variation between 4.0 and 13.9% for all compounds. Quantitation limits were < 0.010 mg/kg for electron capture detection.

  13. Detecting Pesticide Residue by Using Modulating Temperature Over a Single SnO2-Based Gas Sensor

    Directory of Open Access Journals (Sweden)

    Zengliang Yu

    2003-09-01

    Full Text Available A new rapid detecting method (called dynamic measurements was reported to detect and distinguish the presence of two pesticide gases in the ambient atmosphere. The method employed only a single SnO2-based gas sensor in a rectangular temperature mode to perform the qualitative analysis of a binary gas mixture (acephate and trichlorphon in air. Polar plots was used for quantitative analysis which the feature extraction was performed by FFT. Experimental results showed that high selectivity of the sensor achieved in the range of 250~3000C and modulating frequency 20mHz, one can easily observe the qualitative difference among the response to pure acephate and trichlorphon gases of the same concentration and to the mixture, and the concentration of pesticide gases can be obtained based on the changes of polar plots.

  14. Multiple fault detection and diagnosis in a gas turbine using nonlinear principal component analysis and structured residuals

    OpenAIRE

    Rincon-Charris, Amilcar; Quevedo Casín, Joseba Jokin

    2013-01-01

    Multiple fault detection and diagnosis is a challenging problem because the number of candidates grows exponentially in the number of faults. In add ition, multiple faults in dynamic systems may be hard to detect, because they can mask or compensate each other’s effects. This paper presents the study of the detection and diagnosis of multiple faults in a SR-30 Gas Turbine using nonlinear principal component analys is as the detection method and structured residua...

  15. Laser-Plasma Interaction Experiments in Gas-Filled Hohlraums at the LIL Facility

    Science.gov (United States)

    Masson-Laborde, Paul-Edouard; Loiseau, Pascal; Casanova, Michel; Rousseaux, Christophe; Teychenne, Denis; Laffite, Stephane; Huser, Gael

    2009-11-01

    The first laser-plasma interaction campaign conducted at the LIL facility, using gas-filled hohlraums, ended in spring 09. Two different gas-filled hohlraums have been designed in order to mimic plasma conditions expected along two particular beam paths in ignition hohlraums. The targets consist of 3- or 4-millimeters long, 1 atm neo-pentane gas-filled gold hohlraums. The LIL quadruplet is aligned with the hohlraum's axis and delivers a 6-ns long pulse with 15 kJ at 3φ. Optical smoothing is achieved by longitudinal dispersion and a phase plate giving a near 10^15 W/cm^2 mean intensity on the focal spot at maximum power. Plasma conditions from hydrodynamic calculations allow to calcule SBS and SRS linear gain with the PIRANAH code. The calculated spectra are compared to experimental results. We use the paraxial code HERA to investigate the propagation of the LIL quad. Finally, 1D and 2D PIC simulations based on the plasma conditions of the cavity will be discussed in order to understand experimental SRS spectrum.

  16. Gas

    International Nuclear Information System (INIS)

    1996-01-01

    The French government has decided to modify the conditions of extension of local natural gas authorities to neighbouring districts. The European Union is studying the conditions of internal gas market with the objective of more open markets although considering public service requirements

  17. Biological activities and molecular interactions of the C-terminal residue of thrombospondin-4, an epitome of acidic amphipathic peptides.

    Science.gov (United States)

    Congote, Luis F; Sadvakassova, Gulzhakhan; Dobocan, Monica C; Difalco, Marcos R; Kriazhev, Leonid

    2010-04-01

    C21, the C-terminal residue of thrombospondin-4 (TSP-4), was identified as a peptide growth factor during an investigation concerning erythropoietin-dependent, erythroid stimulating factors of endothelial origin. It is active in cultures of several human hematopoietic stem cells, skin fibroblasts and kidney epithelial cells and stimulates red cell formation in anemic mice. A method of affinity chromatography in the presence of high concentrations of Triton X-100, previously developed for identifying proteins associated with the TSP-1 receptor CD47, was utilized for the detection of C21 binding molecules and their detergent-resistant, associated partners. These experiments helped to delineate two different mechanisms of C21 action, which are compatible with its cell proliferating activity. As a cell matrix peptide, C21 binds to the osteopontin receptor CD44 and could act as an osteopontin antagonist, preventing the inhibition of primitive hematopoietic stem cell proliferation. TSP-1, another matrix protein, binds to C21 and could indirectly act as an antagonist, by shunting C21-CD44 interactions. The second mechanism is a direct effect of C21 on cell proliferation. The extremely rapid internalization and nuclear localization of the peptide could be explained by CD44-mediated internalization, followed by a microtubule-mediated transport towards the nucleus, or, eventually, direct membrane insertion. These alternative hypotheses are supported by previously observed membrane insertion of similar synthetic and viral acidic amphipathic peptides, the presence of microtubule-associated protein 1B (MAP1B) and dynactin in the triton-soluble complexes associated with C21 and the presence in such complexes of dual compartment proteins for nuclei and plasma membranes, such as MAP1B, AHNAK and CD44. Copyright (c) 2009 Elsevier Inc. All rights reserved.

  18. Interaction of coal-derived synthesis gas impurities with solid oxide fuel cell metallic components

    Energy Technology Data Exchange (ETDEWEB)

    Marina, Olga A.; Coyle, Christopher A.; Edwards, Danny J.; Chou, Yeong-Shyung; Cramer, Carolyn N. [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Pederson, Larry R. [North Dakota State University, Fargo, ND 58102 (United States)

    2011-01-15

    Oxidation-resistant alloys find use as interconnect materials, heat exchangers, and gas supply tubing in solid oxide fuel cell (SOFC) systems, especially when operated at temperatures below {proportional_to}800 C. If fueled with synthesis gas derived from coal or biomass, such metallic components could be exposed to impurities contained in those fuel sources. In this study, coupons of ferritic stainless steels Crofer 22 APU and SS 441, austenitic nickel-chromium superalloy Inconel 600, and an alumina-forming high nickel alloy alumel were exposed to synthesis gas containing {<=}2 ppm phosphorus, arsenic and antimony, and reaction products were tested. Crofer 22 APU coupons coated with a (Mn,Co){sub 3}O{sub 4} protective layer were also evaluated. Phosphorus was found to be the most reactive. On Crofer 22 APU, the (Mn,Cr){sub 3}O{sub 4} passivation layer reacted to form an Mn-P-O product, predicted to be manganese phosphate from thermochemical calculations, and Cr{sub 2}O{sub 3}. On SS 441, reaction of phosphorus with (Mn,Cr){sub 3}O{sub 4} led to the formation of manganese phosphate as well as an Fe-P product, predicted from thermochemical calculations to be Fe{sub 3}P. Minimal interactions with antimony or arsenic in synthesis gas were limited to Fe-Sb and Fe-As solid solution formation. Though not intended for use on the anode side, a (Mn,Co){sub 3}O{sub 4} spinel coating on Crofer 22 APU reacted with phosphorus in synthesis gas to produce products consistent with Mn{sub 3}(PO{sub 4}){sub 2} and Co{sub 2}P. A thin Cr{sub 2}O{sub 3} passivation layer on Inconel 600 did not prevent the formation of nickel phosphides and arsenides and of iron phosphides and arsenides, though no reaction with Cr{sub 2}O{sub 3} was apparent. On alumel, an Al{sub 2}O{sub 3} passivation layer rich in Ni did not prevent the formation of nickel phosphides, arsenides, and antimonides, though no reaction with Al{sub 2}O{sub 3} occurred. This work shows that unprotected metallic components of

  19. Liquid jet formation through the interactions of a laser-induced bubble and a gas bubble

    Directory of Open Access Journals (Sweden)

    Bing Han

    2017-10-01

    Full Text Available The mechanisms of the liquid jet formation from the interaction of the laser-induced and gas bubble pair are investigated and compared with the jet formation from the interaction of the laser-induced anti-phase bubble pair. The strobe photography experimental method and numerical simulations are implemented to obtain the parameter space of the optimum liquid jet, i.e. highest speed and lowest diameter. It is found that due to the enhanced “catapult effect”, which is induced by the protrusion of the first bubble into the second bubble and the flip back of the elongated part of the first bubble, the optimum liquid jet of the second bubble of the laser-induced anti-phase bubble pair compared to that of the laser-induced and gas bubble pair is 54 %, 65 % and 11 % faster in speed, and 4 %, 44 % and 64 % smaller in diameter, for the 500 μm, 50 μm and 5 μm sized bubbles, respectively. The optimum dimensionless distance for the optimum jet of the laser-induced and the gas bubble is around 0.7, when the maximum bubble radius increases from ∼ 5μm to ∼500 μm, which is different from the laser-induced anti-phase bubble pairs. Besides, the optimum jet of the laser-induced bubble appeared when the bubbles are equal sized, while that of the gas bubble is independent of the relative bubble size, i.e. the liquid jet of the gas bubble has higher robustness in real liquid jet assisted applications when the laser-induced bubble size varies. However, the jet of bubble 2 could maintain a high speed (20 m/s - 35 m/s and a low diameter (∼5 % of the maximum bubble diameter over a big range of the dimensionless distance (0.6 - 0.9 for both of the 50 μm and 500 μm sized laser-induced equal sized anti-phase bubble pairs.

  20. Liquid jet formation through the interactions of a laser-induced bubble and a gas bubble

    Science.gov (United States)

    Han, Bing; Liu, Liu; Zhao, Xiong-Tao; Ni, Xiao-Wu

    2017-10-01

    The mechanisms of the liquid jet formation from the interaction of the laser-induced and gas bubble pair are investigated and compared with the jet formation from the interaction of the laser-induced anti-phase bubble pair. The strobe photography experimental method and numerical simulations are implemented to obtain the parameter space of the optimum liquid jet, i.e. highest speed and lowest diameter. It is found that due to the enhanced "catapult effect", which is induced by the protrusion of the first bubble into the second bubble and the flip back of the elongated part of the first bubble, the optimum liquid jet of the second bubble of the laser-induced anti-phase bubble pair compared to that of the laser-induced and gas bubble pair is 54 %, 65 % and 11 % faster in speed, and 4 %, 44 % and 64 % smaller in diameter, for the 500 μm, 50 μm and 5 μm sized bubbles, respectively. The optimum dimensionless distance for the optimum jet of the laser-induced and the gas bubble is around 0.7, when the maximum bubble radius increases from ˜ 5μm to ˜500 μm, which is different from the laser-induced anti-phase bubble pairs. Besides, the optimum jet of the laser-induced bubble appeared when the bubbles are equal sized, while that of the gas bubble is independent of the relative bubble size, i.e. the liquid jet of the gas bubble has higher robustness in real liquid jet assisted applications when the laser-induced bubble size varies. However, the jet of bubble 2 could maintain a high speed (20 m/s - 35 m/s) and a low diameter (˜5 % of the maximum bubble diameter) over a big range of the dimensionless distance (0.6 - 0.9) for both of the 50 μm and 500 μm sized laser-induced equal sized anti-phase bubble pairs.

  1. Plasma-neutral gas interaction in a tokamak divertor: effects of hydrogen molecules and plasma recombination

    International Nuclear Information System (INIS)

    Krasheninnikov, S.I.; Pigarov, A.Yu.; Soboleva, T.K.; Sigmar, D.J.

    1997-01-01

    We investigate the influence of hydrogen molecules on plasma recombination using a collisional-radiative model for multispecies hydrogen plasmas and tokamak detached divertor parameters. The rate constant found for molecular activated recombination of a plasma can be as high as 2 x 10 -10 cm 3 /s, confirming our pervious estimates. We investigate the effects of hydrogen molecules and plasma recombination on self-consistent plasma-neutral gas interactions in the recycling region of a tokamak divertor. We treat the plasma flow in a fluid approximation retaining the effects of plasma recombination and employing a Knudsen neutral transport model for a 'gas box' divertor geometry. For the model of plasma-neutral interactions we employ we find: (a) molecular activated recombination is a dominant channel of divertor plasma recombination; and (b) plasma recombination is a key element leading to a decrease in the plasma flux onto the target and substantial plasma pressure drop which are the main features of detached divertor regimes. (orig.)

  2. Interesting Scientific Questions Regarding Interactions in the Gas-aerosol-cloud System

    Science.gov (United States)

    Tabazadeh, Azadeh

    2002-01-01

    The growth of human population and their use of land, food and energy resources affect the Earth's atmosphere, biosphere and oceans in a complex manner. Many important questions in earth sciences today deal with issues regarding the impact of human activities on our immediate and future environment, ranging in scope from local (i.e. air pollution) to global (i.e. global warming) scale problems. Because the mass of the Earth's atmosphere is negligible compare to that found in the oceans and the biosphere, the atmosphere can respond quickly to natural and/or manmade perturbations. For example, seasonal 'ozone hole' formation in the Antarctic is a result of manmade CFC emissions in just the last 40 years. Also, the observed rise in global temperatures (known as global warming) is linked to a rapid increase in carbon dioxide and other greenhouse gas concentrations (emitted primarily by combustion processes) over the last century. The Earth's atmosphere is composed of a mixture of gases, aerosol and cloud particles. Natural and anthropogenic emissions of gases and aerosols affect the composition of the Earth's atmosphere. Changes in the chemical and physical makeup of the atmosphere can influence how the Earth will interact with the incoming solar radiation and the outgoing infrared radiation and vise versa. While, some perturbations are short-lived, others are long-lived and can affect the Earth's global climate and chemistry in many decades to come, In order to be able to separate the natural effects from anthropogenic ones, it is essential that we understand the basic physics and chemistry of interactions in the gas-aerosol-cloud system in the Earth's atmosphere. The important physics and chemistry that takes place in the coupled gas-aerosol-cloud system as it relates to aircraft observations are discussed.

  3. Determination of some selected pesticide residues in apple juice by solid-phase microextraction coupled to gas chromatography – mass spectrometry

    Directory of Open Access Journals (Sweden)

    Andrea Hercegová

    2011-01-01

    Full Text Available The performance of solid phase microextraction (SPME for enrichment of pesticides from apple juice was investigated. Samples were diluted with water, extracted by solid-phase microextraction and analysed by gas chromatography using mass-spectrometry detector (MSD in selected ion monitoring mode (SIM. The method was tested for the following pesticides used mostly in fruit culturing at Slovakia: tebuthylazine, fenitrothion, chlorpyrifos, myclobutanil, cyprodinil, phosalone, pyrimethanil, tebuconazole, kresoxim-methyl, methidathion, penconazole. All pesticides were extracted with polydimethylsiloxane fibre 100 μm thickness. The linear concentration range of application was 0.05 μg dm−3–10 μg dm−3. The method described provides detectabilities complying with the maximum residue levels (MRLs set by regulatory organizations for pesticides in apple juice matrices. The solvent – free SPME procedure was found to be quicker and more cost effective then the solvent extraction methods commonly used.

  4. Facilitating Students' Interaction with Real Gas Properties Using a Discovery-Based Approach and Molecular Dynamics Simulations

    Science.gov (United States)

    Sweet, Chelsea; Akinfenwa, Oyewumi; Foley, Jonathan J., IV

    2018-01-01

    We present an interactive discovery-based approach to studying the properties of real gases using simple, yet realistic, molecular dynamics software. Use of this approach opens up a variety of opportunities for students to interact with the behaviors and underlying theories of real gases. Students can visualize gas behavior under a variety of…

  5. Determination of pesticide residues and related compounds in water and industrial effluent by solid-phase extraction and gas chromatography coupled to triple quadrupole mass spectrometry.

    Science.gov (United States)

    Martins, Manoel L; Donato, Filipe F; Prestes, Osmar D; Adaime, Martha B; Zanella, Renato

    2013-09-01

    Pollution of drinking water supplies from industrial waste is a result of several industrial processes and disposal practices, and the establishment of analytical methods for monitoring organic compounds related to environmental and health problems is very important. In this work, a method using solid-phase extraction (SPE) and gas chromatography coupled to triple quadrupole tandem mass spectrometry (GC-QqQ-MS/MS) was developed and validated for the simultaneous determination of pesticide residues and related compounds in drinking and surface water as well as in industrial effluent. Optimization of the method was achieved by using a central composite design approach on parameters such as the sample pH and SPE eluent composition. A single SPE consisting of the loading on a polymeric sorbent of 100 mL of sample adjusted to pH 3 and elution with methanol/methylene chloride (10:90, v/v) permitted the obtaining of acceptable recoveries in most cases. The concentration factor associated with sensitivity of the chromatographic analysis permitted the achievement of the method limit of detection values between 0.01 and 0.25 μg L(-1). Recovery assays presented mean recoveries between 70 and 120% for most of the compounds with very good precision, despite the different chemical nature of the compounds analyzed. The selectivity of the method, evaluated through the relative intensity of quantification and qualification ions obtained by GC-QqQ-MS/MS, was considered adequate. The developed method was finally applied to the determination of target analytes in real samples. River water and treated industrial effluent samples presented residues of some compounds, but no detectable residues were found in the drinking water samples evaluated.

  6. [Determination of pesticide residues in fugu, eel and prawn using gas chromatography-mass spectrometry with gel permeation chromatographic clean-up].

    Science.gov (United States)

    Zheng, Feng; Pang, Guofang; Li, Yan; Wang, Minglin; Fan, Chunlin

    2009-09-01

    A multiresidue analytical method was developed for the determination of 191 pesticides in fugu, eel and prawn using gas chromatography-mass spectrometry (GC-MS). The samples were extracted with ethyl acetate and cyclohexane (1:1, v/v), and cleaned-up by gel permeation chromatography (GPC). The GPC eluant collected from 26 min to 44 min was concentrated to 1 mL, then analyzed using GC-MS. A DB-1701 column was used for the separation. The MS detection was performed in selected ion monitoring mode. The recoveries were determined at the two spiked levels of I LOQ and 4 LOQ (LOQ: limit of quantification). The overall recoveries were from 50.2% to 120%, and in which the recoveries of 89.5% pesticides were from 70% to 120%. The relative standard deviations (RSDs) of the recoveries were from 0.6% to 21.6%. The calibration curves of all pesticides showed good linearities in the respective ranges with the correlation coefficient above 0.97. The limits of detection and the limits of quantification were 0.002-0.3 mg/kg and 0.007-1.2 mg/kg, respectively. The sensitivity and accuracy of the method met the requirements of the multiple pesticide residues. This method was applicable to determine 191 multiple pesticide residues in fugu, eel, prawn and other fishes.

  7. Determination of 1,2-dibromoethane, 1,4-dichlorobenzene and naphthalene residues in honey by gas chromatography--mass spectrometry using purge and trap thermal desorption extraction.

    Science.gov (United States)

    Tananaki, Chrisoula; Zotou, Anastasia; Thrasyvoulou, Andreas

    2005-08-12

    A highly sensitive method for the determination of 1,2-dibromoethane, 1,2-dichlorobenzene and naphthalene residues in honey was developed, using gas chromatography-mass spectrometry combined with a purge and trap thermal desorption system as the extraction technique. Optimal conditions for isolation and separation were established and calibration curves were constructed. Linearity was held between 2.4 and 300 microg kg(-1) honey for 1,2-dibromoethane, 0.5 and 300 microg kg(-1) for 1,4-dichlorobenzene and 0.125 and 3000 microg kg(-1) for naphthalene. The detection limits were found to be 0.8, 0.15 and 0.05 microg kg(-1) honey for 1,2-dibromoethane, 1,4-dichlorobenzene and naphthalene, respectively. The method was applied to the analysis of 25 Greek honey samples. 1,2-Dibromoethane was not found in the majority of the samples, while only one sample was found to contain both 1,4-dichlorobenzene and naphthalene residues at concentrations exceeding 10 microg kg(-1).

  8. Elicitin-induced distal systemic resistance in plants is mediated through the protein-protein interactions influenced by selected lysine residues

    Directory of Open Access Journals (Sweden)

    Hana eUhlíková

    2016-02-01

    Full Text Available Elicitins are a family of small proteins with sterol-binding activity that are secreted by Phytophthora and Pythium spp. classified as oomycete PAMPs. Although alfa- and beta-elicitins bind with the same affinity to one high affinity binding site on the plasma membrane, beta-elicitins (possessing 6-7 lysine residues are generally 50- to 100-fold more active at inducing distal HR and systemic resistance than the alfa-isoforms (with only 1-3 lysine residues.To examine the role of lysine residues in elicitin biological activity, we employed site-directed mutagenesis to prepare a series of beta-elicitin cryptogein variants with mutations on specific lysine residues. In contrast to direct infiltration of protein into leaves, application to the stem revealed a rough correlation between protein’s charge and biological activity, resulting in protection against Phytophthora parasitica. A detailed analysis of proteins’ movement in plants showed no substantial differences in distribution through phloem indicating differences in consequent apoplastic or symplastic transport. In this process, an important role of homodimer formation together with the ability to form a heterodimer with potential partner represented by endogenous plants LTPs is suggested. Our work demonstrates a key role of selected lysine residues in these interactions and stresses the importance of processes preceding elicitin recognition responsible for induction of distal systemic resistance.

  9. Uniform strongly interacting soliton gas in the frame of the Nonlinear Schrodinger Equation

    Science.gov (United States)

    Gelash, Andrey; Agafontsev, Dmitry

    2017-04-01

    The statistical properties of many soliton systems play the key role in the fundamental studies of integrable turbulence and extreme sea wave formation. It is well known that separated solitons are stable nonlinear coherent structures moving with constant velocity. After collisions with each other they restore the original shape and only acquire an additional phase shift. However, at the moment of strong nonlinear soliton interaction (i.e. when solitons are located close) the wave field are highly complicated and should be described by the theory of inverse scattering transform (IST), which allows to integrate the KdV equation, the NLSE and many other important nonlinear models. The usual approach of studying the dynamics and statistics of soliton wave field is based on relatively rarefied gas of solitons [1,2] or restricted by only two-soliton interactions [3]. From the other hand, the exceptional role of interacting solitons and similar coherent structures - breathers in the formation of rogue waves statistics was reported in several recent papers [4,5]. In this work we study the NLSE and use the most straightforward and general way to create many soliton initial condition - the exact N-soliton formulas obtained in the theory of the IST [6]. We propose the recursive numerical scheme for Zakharov-Mikhailov variant of the dressing method [7,8] and discuss its stability with respect to increasing the number of solitons. We show that the pivoting, i.e. the finding of an appropriate order for recursive operations, has a significant impact on the numerical accuracy. We use the developed scheme to generate statistical ensembles of 32 strongly interacting solitons, i.e. solve the inverse scattering problem for the high number of discrete eigenvalues. Then we use this ensembles as initial conditions for numerical simulations in the box with periodic boundary conditions and study statics of obtained uniform strongly interacting gas of NLSE solitons. Author thanks the

  10. The presence of modifiable residues in the core peptide part of precursor nisin is not crucial for precursor nisin interactions with NisB- and NisC.

    Directory of Open Access Journals (Sweden)

    Rustem Khusainov

    Full Text Available Precursor nisin is a model posttranslationally modified precursor lantibiotic that can be structurally divided into a leader peptide sequence and a modifiable core peptide part. The nisin core peptide clearly plays an important role in the precursor nisin-nisin modification enzymes interactions, since it has previously been shown that the construct containing only the nisin leader sequence is not sufficient to pull-down the nisin modification enzymes NisB and NisC. Serines and threonines in the core peptide part are the residues that NisB specifically dehydrates, and cysteines are the residues that NisC stereospecifically couples to the dehydrated amino acids. Here, we demonstrate that increasing the number of negatively charged residues in the core peptide part of precursor nisin, which are absent in wild-type nisin, does not abolish binding of precursor nisin to the modification enzymes NisB and NisC, but dramatically decreases the antimicrobial potency of these nisin mutants. An unnatural precursor nisin variant lacking all serines and threonines in the core peptide part and an unnatural precursor nisin variant lacking all cysteines in the core peptide part still bind the nisin modification enzymes NisB and NisC, suggesting that these residues are not essential for direct interactions with the nisin modification enzymes NisB and NisC. These results are important for lantibiotic engineering studies.

  11. Hydrogen gas generation from metal aluminum-water interaction in municipal solid waste incineration (MSWI) bottom ash.

    Science.gov (United States)

    Nithiya, Arumugam; Saffarzadeh, Amirhomayoun; Shimaoka, Takayuki

    2018-03-01

    In the present research, municipal solid waste incineration (MSWI) bottom ash (BA) residues from three incinerators (N, K, and R) in Japan were collected for hydrogen gas generation purpose. The samples were split into four particle size fractions: (1) d≤0.6, (2) 0.6≤d≤1.0, (3) 1.0≤d≤2.0, and (4) 2.0≤d≤4.75mm for the characterization of metal aluminum, the relationship between the present metal aluminum and hydrogen gas production, and the influence of external metal aluminum on the enhancement of hydrogen gas. The batch experiments were performed for each BA fraction under agitated (200rpm) and non-agitated conditions at 40°C for 20days. The highest amount of hydrogen gas (cumulative) was collected under agitation condition that was 39.4, 10.0, and 8.4 L/kg of dry ash for N2, R2, and K2 (all fraction 2), respectively. To take the benefit of the BA high alkalinity (with initial pH over 12), 0.1 and 1g of household aluminum foil were added to the fractions 2 and 3. A Significantly larger amount of hydrogen gas was collected from each test. For 0.1g of aluminum foil, the cumulative amount of gas was in the range of 62 to 78 L/kg of dry ash and for 1g of aluminum foil the cumulative amount of hydrogen was in the range of 119-126 L/kg of dry ash. This indicated that the hydrogen gas yield was significantly a function of supplementary aluminum and the intrinsic alkaline environment of the BA residues rather than ash source or particle size. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Role of enthalpy-entropy compensation interactions in determining the conformational propensities of amino acid residues in unfolded peptides.

    Science.gov (United States)

    Toal, Siobhan E; Verbaro, Daniel J; Schweitzer-Stenner, Reinhard

    2014-02-06

    The driving forces governing the unique and restricted conformational preferences of amino acid residues in the unfolded state are still not well understood. In this study, we experimentally determine the individual thermodynamic components underlying intrinsic conformational propensities of these residues. Thermodynamic analysis of ultraviolet-circular dichroism (UV-CD) and (1)H NMR data for a series of glycine capped amino acid residues (i.e., G-x-G peptides) reveals the existence of a nearly exact enthalpy-entropy compensation for the polyproline II-β strand equilibrium for all investigated residues. The respective ΔHβ, ΔSβ values exhibit a nearly perfect linear relationship with an apparent compensation temperature of 295 ± 2 K. Moreover, we identified iso-equilibrium points for two subsets of residues at 297 and 305 K. Thus, our data suggest that within this temperature regime, which is only slightly below physiological temperatures, the conformational ensembles of amino acid residues in the unfolded state differ solely with respect to their capability to adopt turn-like conformations. Such iso-equilibria are rarely observed, and their existence herein indicates a common physical origin behind conformational preferences, which we are able to assign to side-chain dependent backbone solvation. Conformational effects such as differences between the number of sterically allowed side chain rotamers can contribute to enthalpy and entropy but not to the Gibbs energy associated with conformational preferences. Interestingly, we found that alanine, aspartic acid, and threonine are the only residues which do not share these iso-equilbiria. The enthalpy-entropy compensation discovered as well as the iso-equilbrium and thermodynamics obtained for each amino acid residue provide a new and informative way of identifying the determinants of amino acid propensities in unfolded and disordered states.

  13. Second sound in a two-dimensional Bose gas: From the weakly to the strongly interacting regime

    Science.gov (United States)

    Ota, Miki; Stringari, Sandro

    2018-03-01

    Using Landau's theory of two-fluid hydrodynamics, we investigate first and second sounds propagating in a two-dimensional (2D) Bose gas. We study the temperature and interaction dependence of both sound modes and show that their behavior exhibits a deep qualitative change as the gas evolves from the weakly interacting to the strongly interacting regime. Special emphasis is placed on the jump of both sounds at the Berezinskii-Kosterlitz-Thouless transition, caused by the discontinuity of the superfluid density. We find that the excitation of second sound through a density perturbation becomes weaker and weaker as the interaction strength increases as a consequence of the decrease in the thermal expansion coefficient. Our results could be relevant for future experiments on the propagation of sound on the Bose-Einstein condensate (BEC) side of the BCS-BEC crossover of a 2D superfluid Fermi gas.

  14. Residual deposits (residual soil)

    International Nuclear Information System (INIS)

    Khasanov, A.Kh.

    1988-01-01

    Residual soil deposits is accumulation of new formate ore minerals on the earth surface, arise as a result of chemical decomposition of rocks. As is well known, at the hyper genes zone under the influence of different factors (water, carbonic acid, organic acids, oxygen, microorganism activity) passes chemical weathering of rocks. Residual soil deposits forming depends from complex of geologic and climatic factors and also from composition and physical and chemical properties of initial rocks

  15. Long-range Order in One-dimensional Spinless Fermi Gas with Attractive Dipole-Dipole Interaction

    OpenAIRE

    Yan, Zhongbo; Chen, Liang; Wan, Shaolong

    2013-01-01

    One-dimensional spinless Fermi gas with attractive dipole-dipole interaction is investigated. Results obtained show when the interaction is weak, the excitation spectrum is linear and the superconducting correlation function decays as power law, indicating the validity of the Tomonaga-Luttinger (TL) liquid picture. However, when the interaction reaches a critical value, the excitation spectrum is nonlinear and the superconducting correlation function keeps finite for infinity separation, indi...

  16. Environmental performance, mechanical and microstructure analysis of concrete containing oil-based drilling cuttings pyrolysis residues of shale gas.

    Science.gov (United States)

    Wang, Chao-Qiang; Lin, Xiao-Yan; He, Ming; Wang, Dan; Zhang, Si-Lan

    2017-09-15

    The overall objective of this research project is to investigate the feasibility of incorporating oil-based drilling cuttings pyrolysis residues (ODPR) and fly ash serve as replacements for fine aggregates and cementitious materials in concrete. Mechanical and physical properties, detailed environmental performances, and microstructure analysis were carried out. Meanwhile, the early hydration process and hydrated products of ODPR concrete were analyzed with X-ray diffraction (XRD), Fourier transform infrared (FT-IR), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). The results indicated that ODPR could not be categorize into hazardous wastes. ODPR had specific pozzolanic characteristic and the use of ODPR had certain influence on slump and compressive strength of concrete. The best workability and optimal compressive strength were achieved with the help of 35% ODPR. Environmental performance tests came to conclusion that ODPR as recycled aggregates and admixture for the preparation of concrete, from the technique perspective, were the substance of mere environmental contamination. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Design of a compressed air modulator to be used in comprehensive multidimensional gas chromatography and its application in the determination of pesticide residues in grapes.

    Science.gov (United States)

    Pizzutti, Ionara R; Vreuls, René J J; de Kok, André; Roehrs, Rafael; Martel, Samile; Friggi, Caroline A; Zanella, Renato

    2009-04-10

    In this study, a new modulator that is simple, robust and presents low operation costs, was developed. This modulator uses compressed air to cool two small portions in the first centimeters of the second chromatographic column of a comprehensive multidimensional gas chromatography (GCxGC) system. The results show a variation in the peak area less than 3 and 5% to alkanes and pesticides, respectively. The standard deviations for the retention times in the first and second dimension are around 0.05 min and 0.05s for all the compounds. The system was optimized with n-alkanes. The GCxGC system proposed was applied in the determination of pyrethroid pesticides (bifenthrin, cypermethrin, deltamethrin, fenvalerate, esfenvalerate, cis- and trans-permethrin) in grape samples. Samples were extracted by the mini-Luke modified method and pesticides were quantified by comprehensive multidimensional gas chromatography with micro electron-capture detection (microECD). The values of method limit of quantification (LOQ) were 0.01-0.02 mg kg(-1) for all studied pyrethroid and the values of recovery were between 94.3 and 115.2%, with good precision (RSDcompressed air has the potential for application in the analysis of a wider range of pesticide residues in other commodities since it provides low values of LOQ with acceptable accuracy and precision.

  18. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions

    International Nuclear Information System (INIS)

    Harris, Joe P.; Manship, Daniel R.; Wright, Timothy G.; Breckenridge, W. H.

    2014-01-01

    We study both the rare gas hydride anions, RG–H − (RG = He–Rn) and Group 2 (Group IIa) metal hydride anions, M IIa H − (M IIa = Be–Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be–He complex. While the RG–H − and Be–He species are weakly bound, we show that, as with the previously studied BeH − and MgH − species, the other M IIa H − species are strongly bound, despite the interactions nominally also being between two closed shell species: M(ns 2 ) and H − (1s 2 ). We gain insight into the interactions using contour plots of the electron density changes and population analyses. For both series, the calculated dissociation energy is significantly less than the ion/induced-dipole attraction term, confirming that electron repulsion is important in these species; this effect is more dramatic for the M IIa H − species than for RG–H − . Our analyses lead us to conclude that the stronger interaction in the case of the M IIa H − species arises from sp and spd hybridization, which allows electron density on the M IIa atom to move away from the incoming H −

  19. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions.

    Science.gov (United States)

    Harris, Joe P; Manship, Daniel R; Breckenridge, W H; Wright, Timothy G

    2014-02-28

    We study both the rare gas hydride anions, RG-H(-) (RG = He-Rn) and Group 2 (Group IIa) metal hydride anions, MIIaH(-) (MIIa = Be-Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be-He complex. While the RG-H(-) and Be-He species are weakly bound, we show that, as with the previously studied BeH(-) and MgH(-) species, the other MIIaH(-) species are strongly bound, despite the interactions nominally also being between two closed shell species: M(ns(2)) and H(-)(1s(2)). We gain insight into the interactions using contour plots of the electron density changes and population analyses. For both series, the calculated dissociation energy is significantly less than the ion/induced-dipole attraction term, confirming that electron repulsion is important in these species; this effect is more dramatic for the MIIaH(-) species than for RG-H(-). Our analyses lead us to conclude that the stronger interaction in the case of the MIIaH(-) species arises from sp and spd hybridization, which allows electron density on the MIIa atom to move away from the incoming H(-).

  20. Dynamics of a trapped 1D Bose gas for finite interaction strength

    Science.gov (United States)

    Muth, Dominik; Mering, Alexander; Fleischhauer, Michael

    2008-05-01

    We investigate the dynamics of a 1D Bose gas in a harmonic trap with point like interactions, recently studied experimentally in [1]. Starting from a discretisation of this model we calculate the groundstate properties and time evolution in the resulting Bose-Hubbard model using the time-evolving block decimation algorithm, TEBD. Both the case of vanishing interaction strength corresponding to the trivial case of free bosons, and the quasi integrable hard core case are well understood [2]. Furthermore recently exact solutions have been found in the absence of a trap potential and few particles [3]. We are focusing on the dynamics in the region with finite repulsive interaction and in a trap. Forall cases, using TEBD, we are able to calculate the propagation in both momentum and real space. [1] T. Kinoshita, T. Wenger, D. Weiss, Nature 440, 900 (2006) [2] M. Rigol, V. Dunjko, V. Yurovsky, M. Olshanii, Phys. Rev. Lett. 98, 050405 (2007) [3] H. Buljan, R. Pezer and T. Gasenzer, arXiv:0709.1444 (2007)

  1. Proposed systematic methodology for analysis of Pb-210 radioactivity in residues produced in Brazilian natural gas pipes

    International Nuclear Information System (INIS)

    Ferreira, Aloisio Cordilha

    2003-11-01

    Since the 80's, the potential radiological hazards due to the handling of solid wastes contaminated with Rn-222 long-lived progeny - Pb-210 in special - produced in gas pipes and removed by pig operations have been subject of growing concern abroad our country. Nevertheless, little or no attention has been paid to this matter in the Brazilian plants up to now, being these hazards frequently underestimated or even ignored. The main purpose of this work was to propose a systematic methodology for analysis of Pb-210 radioactivity in black powder samples from some Brazilian plants, through the evaluation of direct Pb-210 gamma spectrometry and Bi-210 beta counting technical viabilities. In both cases, one in five samples of black powder analysed showed relevant activity (above 1Bq/kg) of Pb-210, being these results probably related to particular features of each specific plant (production levels, reservoir geochemical profile, etc.), in such a way that a single pattern is not observed. For the proposed methodology, gamma spectrometry proved to be the most reliable technique, showing a 3.5% standard deviation, and, for a 95% confidence level, overall fitness in the range of Pb-210 concentration of activity presented in the standard sample reference sheet, provided by IAEA for intercomparison purposes. In the Brazilian scene, however, the availability of statistically supported evidences is insufficient to allow the potential radiological hazard due to the management of black powder to be discarded. Thus, further research efforts are recommended in order to detect the eventually critical regions or plants where gas exploration, production and processing practices will require a regular program of radiological surveillance, in the near future. (author)

  2. Variable temperature infrared spectroscopy: a convenient tool for studying the thermodynamics of weak solid-gas interactions.

    Science.gov (United States)

    Garrone, Edoardo; Otero Areán, Carlos

    2005-10-01

    This tutorial review describes the use of variable temperature infrared spectroscopy of adsorbed species (VTIR), a recent method for studying the thermodynamics of weak solid-gas interactions. Examples show how a fundamental relationship of thermodynamics (the van't Hoff equation, used long since in several fields of physical chemistry) can describe equilibrium processes at the solid-gas interface. The VTIR method is fully exploited by measuring absorbance of an IR band, temperature and pressure over a wide temperature range: an estimation of the interaction energy is, however, possible even ignoring the equilibrium pressure. Precise thermodynamic characterization of solid-gas interactions is required in several fields: on the applied side, gas sensing, separation and storage, which involve such areas as work-place security, air pollution control and the energy sector; regarding fundamental knowledge, weak solid-gas interactions are relevant to a number of fields, including hydrogen bonding, coordination chemistry and surface phenomena in a broad sense. Infrared (IR) spectroscopy of (gas) molecules adsorbed on a solid is frequently used to characterize both, the adsorbed species and the adsorbing centres at the solid surface. The potential of the technique can be greatly enhanced by obtaining IR spectra over a temperature range, and simultaneously measuring IR absorbance, temperature and equilibrium pressure. When this is done, variable temperature infrared (VTIR) spectroscopy can be used not only for a more detailed surface characterization, but also for precise studies on the thermodynamics of solid-gas interactions. Furthermore, when weak interactions are concerned, the technique shows favourable features compared to adsorption calorimetry, or to other classical methods. The potential of the VTIR method is highlighted by reviewing recently reported studies on dihydrogen, dinitrogen and carbon monoxide adsorption on zeolites. To facilitate understanding, an

  3. Water-soluble LYNX1 Residues Important for Interaction with Muscle-type and/or Neuronal Nicotinic Receptors*

    Science.gov (United States)

    Lyukmanova, Ekaterina N.; Shulepko, Mikhail A.; Buldakova, Svetlana L.; Kasheverov, Igor E.; Shenkarev, Zakhar O.; Reshetnikov, Roman V.; Filkin, Sergey Y.; Kudryavtsev, Denis S.; Ojomoko, Lucy O.; Kryukova, Elena V.; Dolgikh, Dmitry A.; Kirpichnikov, Mikhail P.; Bregestovski, Piotr D.; Tsetlin, Victor I.

    2013-01-01

    Human LYNX1, belonging to the Ly6/neurotoxin family of three-finger proteins, is membrane-tethered with a glycosylphosphatidylinositol anchor and modulates the activity of nicotinic acetylcholine receptors (nAChR). Recent preparation of LYNX1 as an individual protein in the form of water-soluble domain lacking glycosylphosphatidylinositol anchor (ws-LYNX1; Lyukmanova, E. N., Shenkarev, Z. O., Shulepko, M. A., Mineev, K. S., D'Hoedt, D., Kasheverov, I. E., Filkin, S. Y., Krivolapova, A. P., Janickova, H., Dolezal, V., Dolgikh, D. A., Arseniev, A. S., Bertrand, D., Tsetlin, V. I., and Kirpichnikov, M. P. (2011) NMR structure and action on nicotinic acetylcholine receptors of water-soluble domain of human LYNX1. J. Biol. Chem. 286, 10618–10627) revealed the attachment at the agonist-binding site in the acetylcholine-binding protein (AChBP) and muscle nAChR but outside it, in the neuronal nAChRs. Here, we obtained a series of ws-LYNX1 mutants (T35A, P36A, T37A, R38A, K40A, Y54A, Y57A, K59A) and examined by radioligand analysis or patch clamp technique their interaction with the AChBP, Torpedo californica nAChR and chimeric receptor composed of the α7 nAChR extracellular ligand-binding domain and the transmembrane domain of α1 glycine receptor (α7-GlyR). Against AChBP, there was either no change in activity (T35A, T37A), slight decrease (K40A, K59A), and even enhancement for the rest mutants (most pronounced for P36A and R38A). With both receptors, many mutants lost inhibitory activity, but the increased inhibition was observed for P36A at α7-GlyR. Thus, there are subtype-specific and common ws-LYNX1 residues recognizing distinct targets. Because ws-LYNX1 was inactive against glycine receptor, its “non-classical” binding sites on α7 nAChR should be within the extracellular domain. Micromolar affinities and fast washout rates measured for ws-LYNX1 and its mutants are in contrast to nanomolar affinities and irreversibility of binding for α-bungarotoxin and

  4. Novel and rapid method for determination of organophosphorus pesticide residues in edible fungus using direct gas purge microsyringe extraction coupled on-line with gas chromatography-mass spectrometry.

    Science.gov (United States)

    Nan, Jingxi; Wang, Juan; Piao, Xiangfan; Yang, Cui; Wu, Xue; Quinto, Maurizio; Li, Donghao

    2015-09-01

    In this work a new analytical method for a rapid and simultaneous determination of 28 organophosphorus pesticides (OPPs) residues in edible fungus using gas purge microsyringe extraction (GP-MSE), coupled with on-line gas chromatography-mass spectrometry (GP-MSE-GC-MS) has been developed and optimized. GP-MSE, a novel gas flow liquid-phase microextraction technique, has been then fruitfully used as innovative and one-step extraction procedure, allowing a direct injection into the gas chromatograph coupled with a mass spectrometry detector (GC-MS) system without any further cleaning step. Once optimized, the GP-MSE-GC-MS analysis procedure showed reproducibility values, resolutions, linear responses, detection and quantification limits that allowed to consider this method suitable for the analysis of the 28 OPPs in real samples. Furthermore, OPP recoveries and the relative standard deviations (RSDs) ranged from 85.26% to 100.21%, and from 1.6% to 6.9%, respectively. This procedure was then used for the analysis of real samples and the obtained results were compared with those of ultrasonic extraction-solid phase extraction. Among the 28 OPPs, 14 of them were found in Lentinus edodes and Enoki mushrooms fungus samples, with a total concentrations of 112.7 and 210.7 μg kg(-1), respectively. This work demonstrated then that GP-MSE-GC-MS provided a highly efficient, solvent-saving, accurate and sensitive quantitative analysis method for a rapid determination of OPPs in edible fungus. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Long-range dispersion interactions between Li and rare-gas atoms

    Science.gov (United States)

    Zhang, Deng-Hong; Xu, Ya-Bin; Jiang, Jun; Jiang, Li; Xie, Lu-You; Dong, Chen-Zhong

    2017-06-01

    The energy levels, oscillator strength and dipole scalar polarizabilities of Li atoms are calculated by using the relativistic semiempirical-core-potential method (RCICP). The dispersion coefficients C6 between ground 2s1/2 2p1/2,2p3/2 states of Li atom and the ground state of rare gas atoms (Ne, Ar, Kr, Xe) are calculated in JJ coupled states, in which the spin-orbital interactions are included. Present results are in good agreement with other available results. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

  6. Quantum criticality of one-dimensional multicomponent Fermi gas with strongly attractive interaction

    International Nuclear Information System (INIS)

    He, Peng; Jiang, Yuzhu; Guan, Xiwen; He, Jinyu

    2015-01-01

    Quantum criticality of strongly attractive Fermi gas with SU(3) symmetry in one dimension is studied via the thermodynamic Bethe ansatz (TBA) equations. The phase transitions driven by the chemical potential μ, effective magnetic field H 1 , H 2 (chemical potential biases) are analyzed at the quantum criticality. The phase diagram and critical fields are analytically determined by the TBA equations in the zero temperature limit. High accurate equations of state, scaling functions are also obtained analytically for the strong interacting gases. The dynamic exponent z=2 and correlation length exponent ν=1/2 read off the universal scaling form. It turns out that the quantum criticality of the three-component gases involves a sudden change of density of states of one cluster state, two or three cluster states. In general, this method can be adapted to deal with the quantum criticality of multicomponent Fermi gases with SU(N) symmetry. (paper)

  7. Nonequilibrium Spin Dynamics in a Trapped Fermi Gas with Effective Spin-Orbit Interactions

    International Nuclear Information System (INIS)

    Stanescu, Tudor D.; Zhang Chuanwei; Galitski, Victor

    2007-01-01

    We consider a trapped atomic system in the presence of spatially varying laser fields. The laser-atom interaction generates a pseudospin degree of freedom (referred to simply as spin) and leads to an effective spin-orbit coupling for the fermions in the trap. Reflections of the fermions from the trap boundaries provide a physical mechanism for effective momentum relaxation and nontrivial spin dynamics due to the emergent spin-orbit coupling. We explicitly consider evolution of an initially spin-polarized Fermi gas in a two-dimensional harmonic trap and derive nonequilibrium behavior of the spin polarization. It shows periodic echoes with a frequency equal to the harmonic trapping frequency. Perturbations, such as an asymmetry of the trap, lead to the suppression of the spin echo amplitudes. We discuss a possible experimental setup to observe spin dynamics and provide numerical estimates of relevant parameters

  8. Long-range interactions of excited He atoms with ground-state noble-gas atoms

    KAUST Repository

    Zhang, J.-Y.

    2013-10-09

    The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition operators. The large-n expansions for the sums over the He oscillator strength divided by the corresponding transition energy are presented for these series. Using the expansions, the C6 coefficients for the systems involving He(131,3S) and He(131,3P) are calculated and found to be in good agreement with directly calculated values.

  9. Collimator system for the stabilization of the dynamical residual-gas pressure in the heavy-ion synchrotron SIS18; Kollimatorsystem zur Stabilisierung des dynamischen Restgasdruckes im Schwerionensynchrotron SIS18

    Energy Technology Data Exchange (ETDEWEB)

    Omet, Carsten

    2009-01-15

    In order to achieve higher beam intensities of heavy ion beams in ring accelerators, low charge state ions can be used. By lowering the charge state, the space charge limit is shifted to higher particle numbers and stripping losses can be avoided. During test operation of the SIS18 at GSI with high intensity low charge state heavy ion beams, strong intensity dependent beam losses have been observed. It was found that these beam losses are originated to a large extent by the change of charge state of the circulating ions during collisions with residual gas atoms. The resulting deviation of m/q relative to the reference ion leads, in combination with dispersive elements in the ion optic lattice, to a modified trajectory, followed by the loss of the ion on the beam pipe. At the impact position, loosely bound residual gas molecules are released by ion stimulated desorption which increases the residual gas pressure locally. This pressure rise itself enhances the charge exchange rate, which can develop into a self amplifying process of pressure rise and subsequent beam loss. A method for the stabilization of the dynamic residual gas pressure is the use of special catcher systems, which minimize the production of desorption gases and remove them by strong pumping. Therefore, the pressure on the beam axis should remain as stable as possible. Other processes, e.g. Coulomb scattering of the beam ions by residual gas particles and unavoidable systematic beam losses can increase the gas pressure additionally. The pressure in the accelerator is further subjected to ionization of the residual gas atoms themselves, thermal out gassing of the beam pipes, insertions and pumps. In this work, a detailed numerical model of the interplay between the residual gas pressure dynamics in the accelerator, possible stabilization measures, e.g. by catchers and the resulting beam life time has been developed. The forecasted beam life times and pressures are verified by machine experiments, as

  10. Experiments in support of the Gas Dynamic Trap based facility for plasma–material interaction testing

    Energy Technology Data Exchange (ETDEWEB)

    Soldatkina, E.I., E-mail: E.I.Soldatkina@inp.nsk.su [Budker Institute of Nuclear Physics SB RAS, Lavrentieva Prospect 11, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090 (Russian Federation); Arakcheev, A.S.; Bagryansky, P.A. [Budker Institute of Nuclear Physics SB RAS, Lavrentieva Prospect 11, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090 (Russian Federation)

    2013-11-15

    Highlights: • Measurement of plasma heat flux in the mirror of a GDT device had been conducted. • The power density up to 0.25 GW m{sup −2} was experimentally obtained. • Steady state operation has not been achieved due to short NBI pulse. • The possibility of creating the PMI setup based on GDT had been discussed. -- Abstract: The power density along the field lines in the scrape-off layer plasma in machines of the class of ITER, Wendelstein 7-X, NSTX-U is in the range of few hundreds megawatt per square meter. It is crucial for the future of tokamaks and stellarators to develop the plasma science and component technology to handle such high plasma heat fluxes. It would be valuable to produce parallel plasma heat fluxes at these power densities, impinging on test components at very shallow angles, as planned in tokamaks. The primary objective of this work is the direct measurement of plasma heat fluxes in the mirror throat of a Gas Dynamic Trap device. Options to develop a facility for plasma–material interaction testing based on the Gas Dynamic Trap are discussed.

  11. The interaction of phosgene gas with different BN nanocones: DFT studies

    Science.gov (United States)

    Vessally, Esmail; Salary, Mina; Arshadi, Sattar; Hosseinian, Akram; Edjlali, Ladan

    2018-01-01

    We investigated the interaction of a phosgene molecule with four kinds of BN nanocones with 60°, 120°, 180° and 240° disclination angles using density functional theory calculations. Based on the results, the phosgene molecule tends to be adsorbed on the apex of all BN nanocones with adsorption energies of -11.1, -4.6, -16.6, and -14.8 kcal/mol, respectively. It was predicted that both of low coordination B atom, and Bsbnd B antiphase defects stabilize the LUMO level of the BN nanocones, and make them more reactive to phosgene gas. The electrical conductivity of the BN nanocone with 60° disclination angle will not change at the presence of the phosgene; and it cannot be used as a sensor. But the electrical conductivity of the BN nanocones with 120°, 180° and 240° disclination angles significantly increases. Therefore, these nanocones may be promising candidates for application in phosgene sensors. We found that the order of electronic sensitivity of the BN nanocones toward the phosgene gas is as follows: BN-240 > BN-120 > BN-180 » BN-60. The recovery time for the BN nanocones with 60°, 120°, 180° and 240° disclination angles is about 4.5 × 10-5, 7.8 × 10-10, 0.48, and 0.02 s at 298 K, respectively, indicating that the BN nanocones benefit from a short recovery time as chemical sensors.

  12. Non-additive non-interacting kinetic energy of rare gas dimers.

    Science.gov (United States)

    Jiang, Kaili; Nafziger, Jonathan; Wasserman, Adam

    2018-03-14

    Approximations of the non-additive non-interacting kinetic energy (NAKE) as an explicit functional of the density are the basis of several electronic structure methods that provide improved computational efficiency over standard Kohn-Sham calculations. However, within most fragment-based formalisms, there is no unique exact NAKE, making it difficult to develop general, robust approximations for it. When adjustments are made to the embedding formalisms to guarantee uniqueness, approximate functionals may be more meaningfully compared to the exact unique NAKE. We use numerically accurate inversions to study the exact NAKE of several rare-gas dimers within partition density functional theory, a method that provides the uniqueness for the exact NAKE. We find that the NAKE decreases nearly exponentially with atomic separation for the rare-gas dimers. We compute the logarithmic derivative of the NAKE with respect to the bond length for our numerically accurate inversions as well as for several approximate NAKE functionals. We show that standard approximate NAKE functionals do not reproduce the correct behavior for this logarithmic derivative and propose two new NAKE functionals that do. The first of these is based on a re-parametrization of a conjoint Perdew-Burke-Ernzerhof (PBE) functional. The second is a simple, physically motivated non-decomposable NAKE functional that matches the asymptotic decay constant without fitting.

  13. HM⁺-RG complexes (M = group 2 metal; RG = rare gas): Physical vs. chemical interactions.

    Science.gov (United States)

    Harris, Joe P; Dodson, Hannah; Breckenridge, W H; Wright, Timothy G

    2015-04-21

    Previous work on the HM(+)-He complexes (M = Be-Ra) has been extended to the cases of the heavier rare gas atoms, HM(+)-RG (RG = Ne-Rn). Optimized geometries and harmonic vibrational frequencies have been calculated using MP2 theory and quadruple-ζ quality basis sets. Dissociation energies for the loss of the rare gas atom have been calculated at these optimized geometries using coupled cluster with single and double excitations and perturbative triples, CCSD(T)theory, extrapolating interaction energies to the basis set limit. Comparisons are made between the present data and the previously obtained helium results, as well as to those of the bare HM(+) molecules; furthermore, comparisons are made to the related M(+)-RG and M(2+)-RG complexes. Partial atomic charge analyses have also been undertaken, and these used to test a simple charge-induced dipole model. Molecular orbital diagrams are presented together with contour plots of the natural orbitals from the quadratic configuration with single and double excitations (QCISD) density. The conclusion is that the majority of these complexes are physically bound, with very little sharing of electron density; however, for M = Be, and to a lesser extent M = Mg, some evidence for chemical effects is seen in HM(+)-RG complexes involving RG atoms with the higher atomic numbers.

  14. Dynamics of gas-surface interactions atomic-level understanding of scattering processes at surfaces

    CERN Document Server

    Díez Muniño, Ricardo

    2013-01-01

    This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level u...

  15. On possibility of using E, H - crossed fields and gas-dynamic flowing of argon in the processes of degassing by the method of ion-stimulated desorption of residual gas in the KUTI-20

    International Nuclear Information System (INIS)

    Sharapov, V.E.

    1985-01-01

    In the project considered if the possibility to use the degassing of an adhezatior chamber inner walls, using the method of ion-stimulated desorption (ISD) of residual gas in the glow discharge is considered. It is suggested that the experiment should be realized using the model or the KUTI (PKUTI) prototype to decrease operation pressure to p -7 Pa (2x10 -9 Tor) at the expense of introduction of the technology described and certain modifications in the processes of leak-in and pumping. The use of crossed E,H-fields and gasodynamic regime of argon flow in the process of preliminary degassing of the adhezator chamber by the glow discharge is the main idea of the project

  16. Bird interactions with offshore oil and gas platforms: review of impacts and monitoring techniques.

    Science.gov (United States)

    Ronconi, Robert A; Allard, Karel A; Taylor, Philip D

    2015-01-01

    Thousands of oil and gas platforms are currently operating in offshore waters globally, and this industry is expected to expand in coming decades. Although the potential environmental impacts of offshore oil and gas activities are widely recognized, there is limited understanding of their impacts on migratory and resident birds. A literature review identified 24 studies and reports of bird-platform interactions, most being qualitative and half having been peer-reviewed. The most frequently observed effect, for seabirds and landbirds, is attraction and sometimes collisions associated with lights and flares; episodic events have caused the deaths of hundreds or even thousands of birds. Though typically unpredictable, anecdotally, it is known that poor weather, such as fog, precipitation and low cloud cover, can exacerbate the effect of nocturnal attraction to lights, especially when coincidental with bird migrations. Other effects include provision of foraging and roosting opportunities, increased exposure to oil and hazardous environments, increased exposure to predators, or repulsion from feeding sites. Current approaches to monitoring birds at offshore platforms have focused on observer-based methods which can offer species-level bird identification, quantify seasonal patterns of relative abundance and distribution, and document avian mortality events and underlying factors. Observer-based monitoring is time-intensive, limited in spatial and temporal coverage, and suffers without clear protocols and when not conducted by trained, independent observers. These difficulties are exacerbated because deleterious bird-platform interaction is episodic and likely requires the coincidence of multiple factors (e.g., darkness, cloud, fog, rain conditions, occurrence of birds in vicinity). Collectively, these considerations suggest a need to implement supplemental systems for monitoring bird activities around offshore platforms. Instrument-based approaches, such as radar

  17. Interactions among vegetation, climate, and herbivory control greenhouse gas fluxes in a subarctic coastal wetland

    Science.gov (United States)

    Kelsey, K.C.; Leffler, A.J.; Beard, K.H.; Schmutz, Joel A.; Choi, R.T.; Welker, J.M.

    2016-01-01

    High-latitude ecosystems are experiencing the most rapid climate changes globally, and in many areas these changes are concurrent with shifts in patterns of herbivory. Individually, climate and herbivory are known to influence biosphere-atmosphere greenhouse gas (GHG) exchange; however, the interactive effects of climate and herbivory in driving GHG fluxes have been poorly quantified, especially in coastal systems that support large populations of migratory waterfowl. We investigated the magnitude and the climatic and physical controls of GHG exchange within the Yukon-Kuskokwim Delta in western Alaska across four distinct vegetation communities formed by herbivory and local microtopography. Net CO2 flux was greatest in the ungrazed Carex meadow community (3.97 ± 0.58 [SE] µmol CO2 m−2 s−1), but CH4 flux was greatest in the grazed community (14.00 ± 6.56 nmol CH4 m−2 s−1). The grazed community is also the only vegetation type where CH4 was a larger contributor than CO2 to overall GHG forcing. We found that vegetation community was an important predictor of CO2 and CH4 exchange, demonstrating that variation in regional gas exchange is best explained when the effect of grazing, determined by the difference between grazed and ungrazed communities, is included. Further, we identified an interaction between temperature and vegetation community, indicating that grazed regions could experience the greatest increases in CH4 emissions with warming. These results suggest that future GHG fluxes could be influenced by both climate and by changes in herbivore population dynamics that expand or contract the vegetation community most responsive to future temperature change.

  18. Numerical investigation of gas-particle interaction in polydisperse volcanic jets

    Science.gov (United States)

    Carcano, Susanna; Esposti Ongaro, Tomaso; Bonaventura, Luca; Neri, Augusto

    2014-05-01

    We investigate the problem of underexpanded jet decompression when the injected fluid is a mixture of a gaseous phase and different classes of solid particles. The underexpanded multiphase jet problem is representative of phenomena that can be observed in the first stages of explosive volcanic eruptions. Whereas the case of homogeneous jets has been studied deeply in the literature, both experimentally, theoretically and numerically, the case of multiphase gas--particle jets still presents some open issues. It has been proven theoretically and experimentally that vents with supersonic or sonic velocity and gas pressure greater than the atmospheric one result in a rapid expansion and acceleration of the fluid to high Mach number. A series of expansion waves form and are reflected as compression waves at the flow boundary. The compression waves coealesce to form a standing normal shock wave (Mach disk), across which the fluid is rapidly compressed and decelerated to subsonic speeds. When solid particles are added to the gas flow, new phenomena associated to kinetic and thermal non-equilibrium between gas and particulate phases arise. Such effects are controlled by drag and heat exchange terms in the momentum and energy equations. In the present work we carry out two- and three-dimensional numerical simulations with the multiphase flow model PDAC (Neri et al., J. Geophys. Res, 2003; Carcano et al., Geosci. Mod. Dev., 2013), to identify and quantify non-equilibrium effects related to the interaction between the jet decompression structure and solid particles. We quantify, on a theoretical basis, the expected non-equilibrium effects between the gas and the solid phase in terms of the particle Stokes numer (St), i.e. the ratio between the particle relaxation time and a characteristic time scale of the jet (taken as the formation time of the Mach disk shock), for two sample grain-size distributions of natural events (Mount St. Helens, 1980; Vesuvius, aD 79). The Stokes

  19. Fast gas chromatographic residue analysis in animal feed using split injection and atmospheric pressure chemical ionisation tandem mass spectrometry.

    Science.gov (United States)

    Tienstra, M; Portolés, T; Hernández, F; Mol, J G J

    2015-11-27

    Significant speed improvement for instrumental runtime would make GC–MS much more attractive for determination of pesticides and contaminants and as complementary technique to LC–MS. This was the trigger to develop a fast method (time between injections less than 10 min) for the determination of pesticides and PCBs that are not (or less) amenable to LC–MS. A key factor in achieving shorter analysis time was the use of split injection (1:10) which allowed the use of a much higher initial GC oven temperature. A shorter column (15 m), higher temperature ramp, and higher carrier gas flow rate (6 mL/min) further contributed to analysis-time reduction. Chromatographic resolution was slightly compromised but still well fit-for-purpose. Due to the high sensitivity of the technique used (GC–APCI-triple quadrupole MS/MS), quantification and identification were still possible down to the 10 μg/kg level, which was demonstrated by successful validation of the method for complex feed matrices according to EU guidelines. Other advantages of the method included a better compatibility of acetonitrile extracts (e.g. QuEChERS) with GC, and a reduced transfer of co-extractants into the GC column and mass spectrometer.

  20. Greenhouse Gases and Gas-Water-Rock Interactions at the Surface of Early Mars

    Science.gov (United States)

    Murphy, W. M.; Bass, D. S.

    1998-09-01

    Consideration of multiphase equilibria is required to make realistic speculations of conditions on early Mars and can provide indications of modern exploration targets to aid characterization of that remote environment. Greenhouse gases are proposed to sustain elevated surface temperatures compatible with geomorphologic evidence for the stability of liquid water on early Mars. CO2 is commonly invoked as a greenhouse gas at pressures up to 5 bars or more, e.g., [1]. However, solid-gas equilibria show that CO2 pressure is limited by formation of CO2 ice in the upper atmosphere for surface pressure of 2 bars [2]. Recently, SO2 at 10-7 bar in a 2 bar CO2 atmosphere (0.1 ppmv SO2) has been postulated to augment warming in the upper atmosphere on early Mars [3], which could inhibit CO2 precipitation. However, oxidation of SO2 would produce sulfuric acid which dissolves in liquid water and attacks rock components, producing metal sulfate solutions and precipitating gypsum (CaSO4-2H2O). Occurrence of gypsum in SNC meteorites demonstrates conditions permitting oxidation of SO2 on Mars [4]. Equilibrium aqueous speciation calculations show that at low O2 pressure, 10-11 bar of SO2 (i.e., 4 orders of magnitude less than proposed) at equilibrium with water generates sulfuric acid of pH 0.5. Reaction path calculations indicate that silicate minerals would dissolve rapidly in this solution with precipitation of a silica phase, clay minerals, and gypsum. Precipitation of gypsum would deplete atmospheric SO2. These multiphase interactions demonstrate that greenhouse stabilization of liquid water due to an SO2 pressure of 10-7 bar is incompatible with a realistic water-rock system. In the absence of elevated concentrations of atmospheric SO2, at elevated CO2 pressure, and at near neutral pH, geochemical equilibrium models predict that the mineral nahcolite (NaHCO3) may precipitate as a consequence of gas-water-rock interactions. If observed, this mineral could be used together with

  1. Residues essential for Panton-Valentine leukocidin S component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface.

    Directory of Open Access Journals (Sweden)

    Benoit-Joseph Laventie

    Full Text Available Panton-Valentine leukocidin (PVL, a bicomponent staphylococcal leukotoxin, is involved in the poor prognosis of necrotizing pneumonia. The present study aimed to elucidate the binding mechanism of PVL and in particular its cell-binding domain. The class S component of PVL, LukS-PV, is known to ensure cell targeting and exhibits the highest affinity for the neutrophil membrane (Kd∼10(-10 M compared to the class F component of PVL, LukF-PV (Kd∼10(-9 M. Alanine scanning mutagenesis was used to identify the residues involved in LukS-PV binding to the neutrophil surface. Nineteen single alanine mutations were performed in the rim domain previously described as implicated in cell membrane interactions. Positions were chosen in order to replace polar or exposed charged residues and according to conservation between leukotoxin class S components. Characterization studies enabled to identify a cluster of residues essential for LukS-PV binding, localized on two loops of the rim domain. The mutations R73A, Y184A, T244A, H245A and Y250A led to dramatically reduced binding affinities for both human leukocytes and undifferentiated U937 cells expressing the C5a receptor. The three-dimensional structure of five of the mutants was determined using X-ray crystallography. Structure analysis identified residues Y184 and Y250 as crucial in providing structural flexibility in the receptor-binding domain of LukS-PV.

  2. Application of acetone acetals as water scavengers and derivatization agents prior to the gas chromatographic analysis of polar residual solvents in aqueous samples.

    Science.gov (United States)

    van Boxtel, Niels; Wolfs, Kris; Van Schepdael, Ann; Adams, Erwin

    2015-12-18

    The sensitivity of gas chromatography (GC) combined with the full evaporation technique (FET) for the analysis of aqueous samples is limited due to the maximum tolerable sample volume in a headspace vial. Using an acetone acetal as water scavenger prior to FET-GC analysis proved to be a useful and versatile tool for the analysis of high boiling analytes in aqueous samples. 2,2-Dimethoxypropane (DMP) was used in this case resulting in methanol and acetone as reaction products with water. These solvents are relatively volatile and were easily removed by evaporation enabling sample enrichment leading to 10-fold improvement in sensitivity compared to the standard 10μL FET sample volumes for a selection of typical high boiling polar residual solvents in water. This could be improved even further if more sample is used. The method was applied for the determination of residual NMP in an aqueous solution of a cefotaxime analogue and proved to be considerably better than conventional static headspace (sHS) and the standard FET approach. The methodology was also applied to determine trace amounts of ethylene glycol (EG) in aqueous samples like contact lens fluids, where scavenging of the water would avoid laborious extraction prior to derivatization. During this experiment it was revealed that DMP reacts quantitatively with EG to form 2,2-dimethyl-1,3-dioxolane (2,2-DD) under the proposed reaction conditions. The relatively high volatility (bp 93°C) of 2,2-DD makes it possible to perform analysis of EG using the sHS methodology making additional derivatization reactions superfluous. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Determination of residual acetone and acetone related impurities in drug product intermediates prepared as Spray Dried Dispersions (SDD) using gas chromatography with headspace autosampling (GCHS).

    Science.gov (United States)

    Quirk, Emma; Doggett, Adrian; Bretnall, Alison

    2014-08-05

    Spray Dried Dispersions (SDD) are uniform mixtures of a specific ratio of amorphous active pharmaceutical ingredient (API) and polymer prepared via a spray drying process. Volatile solvents are employed during spray drying to facilitate the formation of the SDD material. Following manufacture, analytical methodology is required to determine residual levels of the spray drying solvent and its associated impurities. Due to the high level of polymer in the SDD samples, direct liquid injection with Gas Chromatography (GC) is not a viable option for analysis. This work describes the development and validation of an analytical approach to determine residual levels of acetone and acetone related impurities, mesityl oxide (MO) and diacetone alcohol (DAA), in drug product intermediates prepared as SDDs using GC with headspace (HS) autosampling. The method development for these analytes presented a number of analytical challenges which had to be overcome before the levels of the volatiles of interest could be accurately quantified. GCHS could be used after two critical factors were implemented; (1) calculation and application of conversion factors to 'correct' for the reactions occurring between acetone, MO and DAA during generation of the headspace volume for analysis, and the addition of an equivalent amount of polymer into all reference solutions used for quantitation to ensure comparability between the headspace volumes generated for both samples and external standards. This work describes the method development and optimisation of the standard preparation, the headspace autosampler operating parameters and the chromatographic conditions, together with a summary of the validation of the methodology. The approach has been demonstrated to be robust and suitable to accurately determine levels of acetone, MO and DAA in SDD materials over the linear concentration range 0.008-0.4μL/mL, with minimum quantitation limits of 20ppm for acetone and MO, and 80ppm for DAA. Copyright

  4. Multi-residue method for the determination of organochlorine pesticides in fish feed based on a cleanup approach followed by gas chromatography-triple quadrupole tandem mass spectrometry.

    Science.gov (United States)

    Nardelli, Valeria; dell'Oro, Daniela; Palermo, Carmen; Centonze, Diego

    2010-07-23

    A multi-residue method for the determination of organochlorine pesticides in fish feed samples was developed and optimized. The method is based on a cleanup step of the extracted fat, carried out by liquid-liquid extraction on diatomaceous earth cartridge with n-hexane/acetonitrile (80/20, v/v) followed by solid phase extraction (SPE) with silica gel-SCX cartridge, before the identification and quantification of the residues by gas chromatography-triple quadrupole tandem spectrometry (GC-MS/MS). Performance characteristics, such as accuracy, precision, linear range, limits of detection (LOD) and quantification (LOQ), for each pesticide were determined. Instrumental LODs ranged from 0.01 to 0.11 microg L(-1), LOQs were in the range of 0.02-0.35 microg L(-1), and calibration curves were linear (r2>0.999) in the whole range of explored concentrations (5-100 microg L(-1)). Repeatability values were in the range of 3-15%, evaluated from the relative standard deviation of six samples spiked at 100 microg kg(-1) of fat, and in compliance with that derived by the Horwitz's equation. No matrix effects or interfering substances were observed in fish feed analyses. The proposed method allowed high recoveries (92-116%) of spiked extracted fat samples at 100 microg kg(-1), and very low LODs (between 0.02 and 0.63 microg kg(-1)) and LOQs (between 0.05 and 2.09 microg kg(-1)) determined in fish feed samples. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  5. [Monitoring of the residue of fosthiazate in water samples using solid-phase extraction coupled with gas chromatography/mass spectrometry].

    Science.gov (United States)

    Zhu, Jing; Zhou, Xin; Fu, Chunmei; Liu, Sankang; Li, Zhangwan

    2004-11-01

    Solid-phase extraction (SPE) coupled with gas chromatography/mass spectrometry (GC/MS) was used to determine the fosthiazate residue in water samples. The water samples were first filtered through cellulose filters (0.45 microm pore size). A 100 mL volume of filtered water, in which 1 mL of methanol has been added, was then passed through a pre-conditioned 3 cm C18 cartridge at a flow-rate of 1.5 mL/min. Elution was performed by 1 mL of methanol. The eluant was finally dried under reduced pressure for solvent evaporation. The volume was quantitatively adjusted to 0.5 mL with methanol. The analysis was carried out on GC/MS. The mass spectrometer was operated in selected ion monitoring (SIM) mode. According to mass spectrum of fosthiazate, three selected ions at m/z of 126, 195, 283, respectively, were monitored for identification and quantification. High sensitivity and selectivity were achieved by using this method. The limit of detection for fosthiazate in water samples was determined to be 56.4 ng/L. The linearity was demonstrated over a wide range of concentrations covering from 0.282 to 141 microg/L. The recoveries were more than 85.5% and the relative standard deviations for the overall procedure were less than 4.42%. The fosthiazate residue was detected in the water samples from a pool near cropland where fosthiazate was used. The results demonstrate the suitability of the SPE-GC/MS approach for the analysis of fosthiazate in water.

  6. Deep eutectic solvent based gas-assisted dispersive liquid-phase microextraction combined with gas chromatography and flame ionization detection for the determination of some pesticide residues in fruit and vegetable samples.

    Science.gov (United States)

    Farajzadeh, Mir Ali; Sattari Dabbagh, Masoumeh; Yadeghari, Adeleh

    2017-05-01

    In this study, a gas-assisted dispersive liquid-phase microextraction method using a deep eutectic solvent as the extraction solvent combined with gas chromatography and flame ionization detection was developed for the extraction and determination of some pesticide residues in vegetable and fruit juice samples. In this method, choline chloride and 4-chlorophenol at a molar ratio of 1:2 were mixed. By heating and vortexing, a clear, water-immiscible, and homogeneous liquid was formed. The obtained deep eutectic solvent was added to an aqueous solution of the analytes in a conical test tube. Air was bubbled into the aqueous solution and a cloudy solution was obtained. During this step, the analytes were extracted into the fine droplets of the extraction solvent. After centrifugation, an aliquot of the settled phase was injected into the separation system. Under the optimum extraction conditions, enrichment factors, and extraction recoveries were obtained in the ranges of 247-355 and 49-71%, respectively. The obtained values for the limits of detection and quantification were in the ranges of 0.24-1.4 and 0.71-4.2 μg/L, respectively. The proposed method is simple, fast, efficient, and inexpensive. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Joe P.; Manship, Daniel R.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Breckenridge, W. H. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)

    2014-02-28

    We study both the rare gas hydride anions, RG–H{sup −} (RG = He–Rn) and Group 2 (Group IIa) metal hydride anions, M{sub IIa}H{sup −} (M{sub IIa} = Be–Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be–He complex. While the RG–H{sup −} and Be–He species are weakly bound, we show that, as with the previously studied BeH{sup −} and MgH{sup −} species, the other M{sub IIa}H{sup −} species are strongly bound, despite the interactions nominally also being between two closed shell species: M(ns{sup 2}) and H{sup −}(1s{sup 2}). We gain insight into the interactions using contour plots of the electron density changes and population analyses. For both series, the calculated dissociation energy is significantly less than the ion/induced-dipole attraction term, confirming that electron repulsion is important in these species; this effect is more dramatic for the M{sub IIa}H{sup −} species than for RG–H{sup −}. Our analyses lead us to conclude that the stronger interaction in the case of the M{sub IIa}H{sup −} species arises from sp and spd hybridization, which allows electron density on the M{sub IIa} atom to move away from the incoming H{sup −}.

  8. Uncovering the local inelastic interactions during manufacture of ductile cast iron: How the substructure of the graphite particles can induce residual stress concentrations in the matrix

    DEFF Research Database (Denmark)

    Andriollo, Tito; Hellström, Kristina; Sonne, Mads Rostgaard

    2018-01-01

    Recent X-ray diffraction (XRD) measurements have revealed that plastic deformation and a residual elastic strain field can be present around the graphite particles in ductile cast iron after manufacturing, probably due to some local mismatch in thermal contraction. However, as only one component...... of the elastic strain tensor could be obtained from the XRD data, the shape and magnitude of the associated residual stress field have remained unknown. To compensate for this and to provide theoretical insight into this unexplored topic, a combined experimental-numerical approach is presented in this paper....... First, a ma terial equivalent to the ductile cast iron matrix is manufactured and subjected to dilato- metric and high-temperature tensile tests. Subsequently, a two-scale hierarchical top-down model is devised, calibrated on the basis of the collected data and used to simulate the interaction between...

  9. Influenza human monoclonal antibody 1F1 interacts with three major antigenic sites and residues mediating human receptor specificity in H1N1 viruses.

    Directory of Open Access Journals (Sweden)

    Tshidi Tsibane

    Full Text Available Most monoclonal antibodies (mAbs to the influenza A virus hemagglutinin (HA head domain exhibit very limited breadth of inhibitory activity due to antigenic drift in field strains. However, mAb 1F1, isolated from a 1918 influenza pandemic survivor, inhibits select human H1 viruses (1918, 1943, 1947, and 1977 isolates. The crystal structure of 1F1 in complex with the 1918 HA shows that 1F1 contacts residues that are classically defined as belonging to three distinct antigenic sites, Sa, Sb and Ca(2. The 1F1 heavy chain also reaches into the receptor binding site (RBS and interacts with residues that contact sialoglycan receptors and determine HA receptor specificity. The 1F1 epitope is remarkably similar to the previously described murine HC63 H3 epitope, despite significant sequence differences between H1 and H3 HAs. Both antibodies potently inhibit receptor binding, but only HC63 can block the pH-induced conformational changes in HA that drive membrane fusion. Contacts within the RBS suggested that 1F1 may be sensitive to changes that alter HA receptor binding activity. Affinity assays confirmed that sequence changes that switch the HA to avian receptor specificity affect binding of 1F1 and a mAb possessing a closely related heavy chain, 1I20. To characterize 1F1 cross-reactivity, additional escape mutant selection and site-directed mutagenesis were performed. Residues 190 and 227 in the 1F1 epitope were found to be critical for 1F1 reactivity towards 1918, 1943 and 1977 HAs, as well as for 1I20 reactivity towards the 1918 HA. Therefore, 1F1 heavy-chain interactions with conserved RBS residues likely contribute to its ability to inhibit divergent HAs.

  10. A study of gas contaminants and interaction with materials in RPC closed loop systems

    CERN Document Server

    Colafranceschi, S.; Benussi, L.; Bianco, S.; Passamonti, L.; Piccolo, D.; Pierluigi, D.; Russo, A.; Ferrini, M.; Greci, T.; Saviano, G.; Vendittozzi, C.; Abbrescia, M.; Calabria, C.; Colaleo, A.; Iaselli, G.; Maggi, M.; Nuzzo, S.; Pugliese, G.; Verwilligen, P.; Sharma, A.

    2012-01-01

    Resistive Plate Counters (RPC) detectors at the Large Hadron Collider (LHC) experiments use gas recirculation systems to cope with large gas mixture volumes and costs. In this paper a long-term systematic study about gas purifiers, gas contaminants and detector performance is discussed. The study aims at measuring the lifetime of purifiers with unused and used cartridge material along with contaminants release in the gas system. During the data-taking the response of several RPC double-gap detectors was monitored in order to characterize the correlation between dark currents, filter status and gas contaminants.

  11. Atomic forces between noble gas atoms, alkali ions, and halogen ions for surface interactions

    Science.gov (United States)

    Wilson, J. W.; Outlaw, R. A.; Heinbockel, J. H.

    1988-01-01

    The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base developed from analysis of the two-body potential data, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas surfaces and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

  12. The interactive effect of fungicide residues and yeast assimilable nitrogen on fermentation kinetics and hydrogen sulfide production during cider fermentation

    OpenAIRE

    Boudreau, Thomas F; Peck, Gregory M; O'Keefe, Sean F; Stewart, Amanda C

    2016-01-01

    Abstract BACKGROUND Fungicide residues on fruit may adversely affect yeast during cider fermentation, leading to sluggish or stuck fermentation or the production of hydrogen sulfide (H2S), which is an undesirable aroma compound. This phenomenon has been studied in grape fermentation but not in apple fermentation. Low nitrogen availability, which is characteristic of apples, may further exacerbate the effects of fungicides on yeast during fermentation. The present study explored the effects of...

  13. The interaction between the solar wind and the heterogeneous neutral gas coma of comet 67P/Churyumov-Gerasimenko

    Science.gov (United States)

    Rubin, Martin; Toth, Gabor; Tenishev, Valeriy; Fougere, Nicolas; Huang, Zhenguang

    2016-07-01

    Comets are surrounded by an extended gas and dust coma. Neutral particles are continuously ionized by solar irradiation and then picked-up by the solar wind. This leads to a complex interaction between the neutral gas coma and the solar wind, which changes over the course of the comet's orbit around the Sun. The European Space Agency's Rosetta spacecraft has been in orbit around comet 67P/Churyumov-Gerasimenko since August 2014. Rosetta carries several instruments to investigate the comet's nucleus and surrounding neutral gas coma and plasma. Part of the payload is the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) that consists of two mass spectrometers and a pressure sensor. ROSINA was designed to measure the neutral gas abundance and composition and low energy ions in the coma in situ. ROSINA observations have shown that the coma is very heterogeneous both in total density and composition of the neutral gas. This heterogeneity is driven in large part by the complex shape of the nucleus and the varying illumination conditions associated with the comet's rotation. In this presentation we will show the time-dependent distribution of the major volatiles around the comet constrained by ROSINA observations. Furthermore we will investigate the impact of the highly non-symmetric neutral gas coma on the interaction of the solar wind with the comet.

  14. Exploring the molecular mechanism of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular dynamics simulation and residue interaction network analysis.

    Science.gov (United States)

    Xue, Weiwei; Jin, Xiaojie; Ning, Lulu; Wang, Meixia; Liu, Huanxiang; Yao, Xiaojun

    2013-01-28

    The rapid emergence of cross-resistance to the integrase strand transfer inhibitors (INSTIs) has become a serious problem in the therapy of human immunodeficiency virus type 1 (HIV-1) infection. Understanding the detailed molecular mechanism of INSTIs cross-resistance is therefore critical for the development of new effective therapy against cross-resistance. On the basis of the homology modeling constructed structure of tetrameric HIV-1 intasome, the detailed molecular mechanism of the cross-resistance mutation E138K/Q148K to three important INSTIs (Raltegravir (RAL, FDA approved in 2007), Elvitegravir (EVG, FDA approved in 2012), and Dolutegravir (DTG, phase III clinical trials)) was investigated by using molecular dynamics (MD) simulation and residue interaction network (RIN) analysis. The results from conformation analysis and binding free energy calculation can provide some useful information about the detailed binding mode and cross-resistance mechanism for the three INSTIs to HIV-1 intasome. Binding free energy decomposition analysis revealed that Pro145 residue in the 140s 1oop (Gly140 to Gly149) of the HIV-1 intasome had strong hydrophobic interactions with INSTIs and played an important role in the binding of INSTIs to HIV-1 intasome active site. A systematic comparison and analysis of the RIN proves that the communications between the residues in the resistance mutant is increased when compared with that of the wild-type HIV-1 intasome. Further analysis indicates that residue Pro145 may play an important role and is relevant to the structure rearrangement in HIV-1 intasome active site. In addition, the chelating ability of the oxygen atoms in INSTIs (e.g., RAL and EVG) to Mg(2+) in the active site of the mutated intasome was reduced due to this conformational change and is also responsible for the cross-resistance mechanism. Notably, the cross-resistance mechanism we proposed could give some important information for the future rational design of novel

  15. Gas chromatographic determination of electron capture sensitive volatile industrial chemical residues in foods, using AOAC pesticide multiresidue extraction and cleanup procedures.

    Science.gov (United States)

    Yurawecz, M P; Puma, B J

    1986-01-01

    Electron capture (EC) gas chromatographic (GC) parameters have been developed for determining some of the more volatile industrial chemicals that can be determined by the AOAC multiresidue method for organochlorine and organophosphorus pesticides with modified GC operating conditions. Retention times relative to pentachlorobenzene are reported for 143 industrial chemicals, pesticides, and related compounds on OV-101 GC columns at 130 degrees C. Also reported for most of the compounds are recoveries from fortified samples carried through the AOAC extraction and cleanup procedures for fatty and/or nonfatty foods, Florisil elution characteristics, and GC relative retention times on mixed OV-101 + OV-210 columns at 130 degrees C. Our laboratory has used the modified EC/GC parameters with the AOAC multiresidue extraction/cleanup procedures to determine many volatile halogenated industrial chemical contaminants in foods, chiefly in samples of fresh-water fish. Other modifications of the AOAC method are described to improve the tentative identification and quantitative measurement of these volatile residues.

  16. Determination of the limits of identification and quantitation of selected organochlorine and organophosphorous pesticide residues in surface water by full-scan gas chromatography/mass spectrometry.

    Science.gov (United States)

    Tahboub, Yahya R; Zaater, Mohammad F; Al-Talla, Zeiad A

    2005-12-09

    In this work, we report a reliable method for quantitation and determination of the limits of identification of 14 organochlorine and organophosphorous pesticide (OPP) residues in surface water. The method features the simultaneous identification and quantitation of targeted pesticides and the possibility of identification of any other eluting compounds. The method is based on liquid-liquid extraction (LLE) with a mixture of petroleum ether and dichloromethane (70:30, v/v) followed by gas chromatographic separation and a full-scan mass spectrometric detection (GC-MS). The method presents a new validation parameter, limit of identification (LOI) which is defined for our purpose as the lowest analyte concentration that yields a library searchable mass spectrum. The method is linear over the range 0.048-1.20microgL(-1) for nine pesticides and 0.024-0.60microgL(-1) for the other five pesticides. Correlation coefficients vary between 0.988 and 0.998. Limits of detection (LODs) vary between 0.005 and 0.05microgL(-1) for 4,4'-DDT and LOIs vary between 0.012 and 0.048microgL(-1).

  17. Optimization of a multi-residue method for 101 pesticides in green tea leaves using gas chromatography–tandem mass spectrometry

    Directory of Open Access Journals (Sweden)

    Xue Hou

    Full Text Available ABSTRACT A method for analysis of 101 pesticide residues in tea leaves was developed and validated for the first time. Pure acetonitrile was used as extraction solvent rather than acetonitrile after matrix hydration based on the amount of co-extracts and recoveries performance. During clean-up procedure, primary-secondary amine/graphitized carbon black (500 mg was selected, which exhibited outstanding properties in clean-up capabilities and recoveries of pesticides comparing to primary-secondary amine/graphitized carbon black (250 mg, NH2-Carbon and TPT absorbents. The method was validated employing gas chromatography coupled to tandem mass spectrometry at the spiked concentration levels of 0.050 and 0.100 mg kg−1. For most of the targeted pesticides, the percent recoveries range from 70 to 120%, with relative standard deviations <20%. The linear correlation coefficients (r 2 were higher than 0.99 at concentration levels of 0.025–0.250 mg kg−1. Limits of quantification ranged from 1.1 to 25.3 µg kg−1 for all pesticides. The developed method was successfully applied to the determination of pesticides in tea leaf samples.

  18. Determination of residual volatile organic compounds migrated from polystyrene food packaging into food simulant by headspace solid phase micro extraction-gas chromatography

    International Nuclear Information System (INIS)

    Mohd Marsin Sanagi; Ling, Susie Lu; Zalilah Nasir; Wan Aini Wan Ibrahim; Abu Naim, Ahmedy

    2008-01-01

    The residual styrene and other volatile organic compounds (VOCs) present in the polystyrene food packaging are of concern as these compounds have the potential to migrate into the food in contact. This work describes a method for quantitative determination of VOCs, namely styrene, toluene, ethyl benzene, iso-propylbenzene and n-propylbenzene that have migrated from polystyrene food packaging into food stimulant by gas chromatography-flame ionization detection (GC-FID). Headspace solid phase micro extraction (HS-SPME) technique was applied for migration test using water as food stimulant. The effects of extraction variables including sample volume, eluotropic strength, extraction temperature, extraction time, desorption time, sample agitation, and salt addition on the amounts of the extracted analyses were studied to obtain the optimal HS-SPME conditions. The optimized method was applied to test the VOCs migrated from polystyrene bowls and cups at storage temperatures ranging from 24 to 80 degree Celsius for 30 min. Styrene and ethyl benzene were found to migrate from the samples into the food stimulant. The migration of analyze was found to be strongly dependent upon the storage temperature. The HS-SPME is useful as an alternative method to determine the migration of VOCs from food packaging material into food stimulant. (author)

  19. A multi-residue method for determination of 70 organic micropollutants in surface waters by solid-phase extraction followed by gas chromatography coupled to tandem mass spectrometry.

    Science.gov (United States)

    Terzopoulou, Evangelia; Voutsa, Dimitra; Kaklamanos, George

    2015-01-01

    A multi-residue method, based on gas chromatography coupled to tandem mass spectrometry (GC-MS/MS), has been developed for the determination of 70 organic micropollutants from various chemical classes (organochlorinated, organophosphorous, triazines, carbamate and urea, polycyclic aromatic hydrocarbons, polychlorinated biphenyls, pharmaceuticals, phenols, etc.) in surface waters. A single-step SPE extraction using OASIS HLB cartridges was employed for the recovery of target micropollutants. The method has been validated according to monitoring performance criteria of the Water Framework Directive, taking into account the approved guidelines on quality assurance and quality control. The recoveries ranged from 60 to 110 %, the coefficient of variation from 0.84 to 27.4 %, and the uncertainty from 6 to 37 %. The LOD varied from 6.0 to 40 ng/L. The limits of quantification for the priority pollutants anthracene, alachlor, atrazine, benzo(a)pyrene, chlorfenvinphos, diuron, isoproturon, nonylphenol, simazine, and terbutryn fulfill the criterion of diuron, isoproturon, salicylic acid, chlorfenvinphos, 1,2-benzanthracene, pyrene, diflubenzuron, and carbaryl exhibited the highest detection frequencies.

  20. Modelling of Gas Flow in the Underground Coal Gasification Process and its Interactions with the Rock Environment

    Directory of Open Access Journals (Sweden)

    Tomasz Janoszek

    2013-01-01

    Full Text Available The main goal of this study was the analysis of gas flow in the underground coal gasification process and interactions with the surrounding rock mass. The article is a discussion of the assumptions for the geometric model and for the numerical method for its solution as well as assumptions for modelling the geochemical model of the interaction between gas-rock-water, in terms of equilibrium calculations, chemical and gas flow modelling in porous mediums. Ansys-Fluent software was used to describe the underground coal gasification process (UCG. The numerical solution was compared with experimental data. The PHREEQC program was used to describe the chemical reaction between the gaseous products of the UCG process and the rock strata in the presence of reservoir waters.

  1. Complex processes in simple ices : laboratory and observational studies of gas-grain interactions during star formation

    NARCIS (Netherlands)

    Öberg, Karin Ingegerd

    2009-01-01

    During solar-type star formation, the chemistry evolves towards the formation of complex organic molecules, eventually setting the stage for the origin of life. This astrochemical evolution depends on the interaction between gas and microscopic interstellar grains, producing icy grain mantles. This

  2. A hybrid formalism of aerosol gas phase interaction for 3-D global models

    Science.gov (United States)

    Benduhn, F.

    2009-04-01

    Aerosol chemical composition is a relevant factor to the global climate system with respect to both atmospheric chemistry and the aerosol direct and indirect effects. Aerosol chemical composition determines the capacity of aerosol particles to act as cloud condensation nuclei both explicitly via particle size and implicitly via the aerosol hygroscopic property. Due to the primary role of clouds in the climate system and the sensitivity of cloud formation and radiative properties to the cloud droplet number it is necessary to determine with accuracy the chemical composition of the aerosol. Dissolution, although a formally fairly well known process, may be subject to numerically prohibitive properties that result from the chemical interaction of the species engaged. So-far approaches to model the dissolution of inorganics into the aerosol liquid phase in the framework of a 3-D global model were based on an equilibrium, transient or hybrid equilibrium-transient approach. All of these methods present the disadvantage of a priori assumptions with respect to the mechanism and/or are numerically not manageable in the context of a global climate system model. In this paper a new hybrid formalism to aerosol gas phase interaction is presented within the framework of the H2SO4/HNO3/HCl/NH3 system and a modal approach of aerosol size discretisation. The formalism is distinct from prior hybrid approaches in as much as no a priori assumption on the nature of the regime a particular aerosol mode is in is made. Whether a particular mode is set to be in the equilibrium or the transitory regime is continuously determined during each time increment against relevant criteria considering the estimated equilibration time interval and the interdependence of the aerosol modes relative to the partitioning of the dissolving species. Doing this the aerosol composition range of numerical stiffness due to species interaction during transient dissolution is effectively eluded, and the numerical

  3. Natural gas conversion to higher hydrocarbons using plasma interactions with surfaces. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Sackinger, W.M.; Kamath, V.A.; Morgan, B.L.; Airey, R.W.

    1993-12-01

    Experiments are reported in which a methane plasma is created, and the methyl ions and hydrogen ions are accelerated within a microchannel array so that they interact with neutral methane molecules on the inside surfaces of the microchannels. No catalysts are used, and the device operates at room temperature. Impact energies of the ions are in the range of 10 eV to greater than 100 eV, and the energy delivered in the interaction at the surfaces causes the production of larger hydrocarbon molecules, such as C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}, along with C{sub 3}, C{sub 4}, C{sub 5}m C{sub 6}, C{sub 7}m and C{sub 8} molecules. There is a decreasing percentage of larger molecules produced, in comparison with the C{sub 2} and C{sub 3} types. Conversion effectiveness is greater at higher pressure, due to the increased ionic activity. The yield of the higher hydrocarbons depends upon the external voltage used, and voltage can be used as a control parameter to adjust the output mixture proportions. A conversion energy of 2.59 kilowatt hours/killogram of output has been demonstrated, and a reduction of this by a factor of 10 is possible using known techniques. In batch experiments, the selectivity for C{sub 2} has varied from 47% to 88%, and selectivity for C{sub 6} has ranged from 0% to 12.8%. Other hydrocarbon selectivities also span a wide and useful range. The estimated costs for hydrocarbons produced with this technology are in the range of $200 per tonne, in production quantities, depending upon natural gas costs. Pilot production experiments are recommended to make these estimates more precise, and to address strategies for scaling the technology up to production levels. Applications are discussed.

  4. An experimental study of interacting swirl flows in a model gas turbine combustor

    Science.gov (United States)

    Vishwanath, Rahul B.; Tilak, Paidipati Mallikarjuna; Chaudhuri, Swetaprovo

    2018-03-01

    In this experimental work, we analyze the flow structures emerging from the mutual interaction between adjacent swirling flows at variable degrees of swirl, issued into a semi-confined chamber, as it could happen in a three cup sector of an annular premixed combustor of a modern gas turbine engine. Stereoscopic particle image velocimetry ( sPIV) is used to characterize both the non-reacting and reacting flow fields in the central diametrical (vertical) plane of the swirlers and the corresponding transverse (horizontal) planes at different heights above the swirlers. A central swirling flow with a fixed swirl vane angle is allowed to interact with its neighboring flows of varied swirl levels, with constant inlet bulk flow velocity through the central port. It is found that the presence of straight jets with zero swirl or co-rotating swirling jets with increasing swirl on both sides of the central swirling jet, significantly alters its structures. As such, an increase in the amount of swirl in the neighboring flows increases the recirculation levels in central swirling flow leading to a bubble-type vortex breakdown, not formed otherwise. It is shown with the aid of Helmholtz decomposition that the transition from conical to bubble-type breakdown is captured well by the radial momentum induced by the azimuthal vorticity. Simultaneous sPIV and OH-planar laser-induced fluorescence (PLIF) are employed to identify the influence of the neighboring jets on the reacting vortex breakdown states. Significant changes in the vortex breakdown size and structure are observed due to variation in swirl levels of the neighboring jets alongside reaction and concomitant flow dilatation.

  5. Generation of a residual current by interaction between the coastal boundary-layer and the ekman layer in a tidal motion

    OpenAIRE

    Aelbrecht, D; Dhieres, Gc; Zhang, Xz

    1993-01-01

    Some experiments have been made with the large rotating tank at the Institut de Mecanique de Grenoble to reproduce a sinusoidal flow along a vertical wall, over a flat bottom, with or without slope, in a homogeneous fluid. The objective of these experiments was to simulate a tidal motion, restricted to its main harmonic component M2, parallel to a vertical coast; and to demonstrate a particular mode of generation of residual circulation near the coast as a result of the interaction between fr...

  6. Void fraction for gas bubbling in shallow viscous pools-application to molten core concrete interaction

    International Nuclear Information System (INIS)

    Journeau, C.; Haquet, J.F.

    2005-01-01

    During Molten Core-Concrete Interaction, the concrete will release gases (mainly steam and carbon oxides) that will flow through the corium pool. To obtain reliable heat transfer prediction, it is necessary to model the void fraction in the pool as a function of the gas mass flow (or superficial velocity at the interface). A series of simulant-materials have been performed with water-air and sugar syrup-air in order to study how the drift model could be applied to a shallow pool (where the bubbly flow is not fully developed) and to liquids which are more viscous (with higher Morton numbers) than water. The bubble average diameter was estimated around 3 mm with spherical to ellipsoidal shapes. For all the configurations, even with the shallowest pools (6 cm height for 38 cm diameter) the experimental void fractions follow the drift-model relationship. In water, the distribution coefficient C 0 tends to the classical value of 1.2 while the drift velocity V jg tends to the 23 cm/s predicted by Ishii (1975) model for churn flows. For the more viscous syrup, the drift velocity tends to 13 cm/s which is significantly lower than the value obtained from the Ishii correlation for bubbly or churn flows (established for water). These results are then applied to MCCI experimental configurations. (authors)

  7. Information transmission and market interactions across the Atlantic. An empirical study on the natural gas market

    International Nuclear Information System (INIS)

    Kao, Chung-Wei; Wan, Jer-Yuh

    2009-01-01

    This paper studies the international information transmission and market interactions in the U.S. and U.K. natural gas markets. Three well documented approaches are used to measure the relative importance on the process of price discovery under a quadvariate system. After adjusting the effects of nonsynchronous trading prices, robust results indicate our system that includes spot and futures prices within the two countries are driven by one common factor. Information disseminates efficiently among the four markets concerned. The U.S. futures market dominates as the center for price discovery. The U.K. futures market comes as the second. The spot markets in the U.S. and U.K. are less efficient than their corresponding futures market, where the U.K. spot market contributes the least and almost zero to the price discovery process. Asymmetric volatility spillovers are found in three of the four markets. Volatility in the U.S. futures market increases with positive returns which illustrates the inverse leverage effect in most of the commodity market. Volatilities in the spot markets are negatively related to returns, which is analogous to the traditional leverage effect prevailing in most of the equity stock markets. (author)

  8. Molecular level insights to the interaction of toluene with ZrO2-based biomass gasification gas clean-up catalysts

    NARCIS (Netherlands)

    Viinikainen, T.; Kauppi, I.; Korhonen, S.; Lefferts, Leonardus; Kanervo, J.; Lehtonen, J.

    2013-01-01

    Gasification of biomass, followed by ZrO2-catalyzed hot gas clean-up at 600–900 °C for the oxidation of impurities (such as tar), is an environmentally attractive way to produce heat and power or synthesis gas. The interaction of toluene (as a model compound for tar) with ZrO2-based gasification gas

  9. Optimal definition of inter-residual contact in globular proteins based on pairwise interaction energy calculations, its robustness, and applications.

    Science.gov (United States)

    Fačkovec, Boris; Vondrášek, Jiří

    2012-10-25

    Although a contact is an essential measurement for the topology as well as strength of non-covalent interactions in biomolecules and their complexes, there is no general agreement in the definition of this feature. Most of the definitions work with simple geometric criteria which do not fully reflect the energy content or ability of the biomolecular building blocks to arrange their environment. We offer a reasonable solution to this problem by distinguishing between "productive" and "non-productive" contacts based on their interaction energy strength and properties. We have proposed a method which converts the protein topology into a contact map that represents interactions with statistically significant high interaction energies. We do not prove that these contacts are exclusively stabilizing, but they represent a gateway to thermodynamically important rather than geometry-based contacts. The process is based on protein fragmentation and calculation of interaction energies using the OPLS force field and relies on pairwise additivity of amino acid interactions. Our approach integrates the treatment of different types of interactions, avoiding the problems resulting from different contributions to the overall stability and the different effect of the environment. The first applications on a set of homologous proteins have shown the usefulness of this classification for a sound estimate of protein stability.

  10. Importance of a Conserved Lys/Arg Residue for Ligand/PDZ Domain Interactions as Examined by Protein Semisynthesis

    DEFF Research Database (Denmark)

    Pedersen, Søren W; Moran, Griffin E; Sereikaité, Vita

    2016-01-01

    PDZ domains are ubiquitous small protein domains that are mediators of numerous protein-protein interactions, and play a pivotal role in protein trafficking, synaptic transmission, and the assembly of signaling-transduction complexes. In recent years, PDZ domains have emerged as novel and exciting...... drug targets for diseases (in the brain in particular), so understanding the molecular details of PDZ domain interactions is of fundamental importance. PDZ domains bind to a protein partner at either a C-terminal peptide or internal peptide motifs. Here, we examined the importance of a conserved Lys...... into the mechanism of PDZ/ligand interaction....

  11. Neutron residual stress measurements in linepipe

    Science.gov (United States)

    Law, Michael; Gnaëpel-Herold, Thomas; Luzin, Vladimir; Bowie, Graham

    2006-11-01

    Residual stresses in gas pipelines are generated by manufacturing and construction processes and may affect the subsequent pipe integrity. In the present work, the residual stresses in eight samples of linepipe were measured by neutron diffraction. Residual stresses changed with some coating processes. This has special implications in understanding and mitigating stress corrosion cracking, a major safety and economic problem in some gas pipelines.

  12. Neutron residual stress measurements in linepipe

    International Nuclear Information System (INIS)

    Law, Michael; Gnaepel-Herold, Thomas; Luzin, Vladimir; Bowie, Graham

    2006-01-01

    Residual stresses in gas pipelines are generated by manufacturing and construction processes and may affect the subsequent pipe integrity. In the present work, the residual stresses in eight samples of linepipe were measured by neutron diffraction. Residual stresses changed with some coating processes. This has special implications in understanding and mitigating stress corrosion cracking, a major safety and economic problem in some gas pipelines

  13. A cation-π interaction at a phenylalanine residue in the glycine receptor binding site is conserved for different agonists

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Hanek, Ariele P; Price, Kerry L

    2011-01-01

    . In the current study, we investigated whether the lower efficacy agonists of the human GlyR β-alanine and taurine also form cation-π interactions with Phe159. By incorporating a series of unnatural amino acids, we found cation-π interactions between Phe159 and the amino groups of β-alanine and taurine....... The strengths of these interactions were significantly weaker than for glycine. Modeling studies suggest that β-alanine and taurine are orientated subtly differently in the binding pocket, with their amino groups further from Phe159 than that of glycine. These data therefore show that similar agonists can have...... similar but not identical orientations and interactions in the binding pocket and provide a possible explanation for the lower potencies of β-alanine and taurine....

  14. Determination of low-level agricultural residues in soft drinks and sports drinks by gas chromatography with mass-selective detection: single-laboratory validation.

    Science.gov (United States)

    Paske, Nathan; Berry, Bryan; Schmitz, John; Sullivan, Darryl

    2007-01-01

    In this study, sponsored by PepsiCo Inc., a method was validated for measurement of 19 pesticide residues in soft drinks and sports drinks by gas chromatography/mass spectrometry (GC/MS) with mass selective detection The pesticide residues determined in this validation were alpha-benzenehexachloride (BHC); beta-BHC; gamma-BHC; delta-BHC; methyl parathion; malathion; chlorpyrifos; aldrin; 2,4-dichlorodiphenyldichloroethylene (DDE); alpha-endosulfan; 4,4-DDE; 2,4-dichlorodiphenyldichloroethane (DDD); dieldrin; ethion; 4,4-DDD; 2,4-dichlorodiphenyltrichloroethylene (DDT); beta-endosulfan; 4,4-DDT; and endosulfan sulfate when spiked into a 200 mL matrix sample at 0.50 microg/L. The samples were diluted with acetonitrile and water, then liquid-liquid phase extracted into petroleum ether. The resulting extract was concentrated to near dryness and diluted with hexane:dichloromethane (50:50). The concentrated samples were purified by gel permeation chromatography. The resulting solution was concentrated and separated on a Florisil substrate. The eluent was concentrated to near dryness, reconstituted to produce a 200-fold concentration, and analyzed using a GC/MS instrument operated in the selective ion monitoring mode. The GC/MS instrument was equipped with a large volume injector capable of injecting 25 microL. External standards prepared in dichloromethane were used for quantification without the need for matrix-matched calibration because the extraction step minimized the matrix effects. The calibration curves for all agricultural residues had coefficients of determination (r2) of greater than or equal to 0.9900, with the exception of one value that was 0.988. Fortification spikes at 0.50 microg/L in 3 matrixes (7UP, Gatorade, and Diet Pepsi) over the course of 2 days (4 days for Gatorade), where n=8 each day, yielded average percent recoveries (and percent relative standard deviations) as follows (n=64): 95.6 (24.8) for alpha-BHC; 91.9 (23.6) for beta-BHC; 89.1 (21

  15. Development and comparison of two multi-residue methods for the analysis of select pesticides in honey bees, pollen, and wax by gas chromatography-quadrupole mass spectrometry.

    Science.gov (United States)

    Li, Yuanbo; Kelley, Rebecca A; Anderson, Troy D; Lydy, Michael J

    2015-08-01

    One of the hypotheses that may help explain the loss of honey bee colonies worldwide is the increasing potential for exposure of honey bees to complex mixtures of pesticides. To better understand this phenomenon, two multi-residue methods based on different extraction and cleanup procedures have been developed, and compared for the determination of 11 relevant pesticides in honey bees, pollen, and wax by gas chromatography-quadrupole mass spectrometry. Sample preparatory methods included solvent extraction followed by gel permeation chromatography (GPC) cleanup and cleanup using a dispersive solid-phase extraction with zirconium-based sorbents (Z-Sep). Matrix effects, method detection limits, recoveries, and reproducibility were evaluated and compared. Method detection limits (MDL) of the pesticides for the GPC method in honey bees, pollen, and wax ranged from 0.65 to 5.92 ng/g dw, 0.56 to 6.61 ng/g dw, and 0.40 to 8.30 ng/g dw, respectively, while MDLs for the Z-Sep method were from 0.33 to 4.47 ng/g dw, 0.42 to 5.37 ng/g dw, and 0.51 to 5.34 ng/g dw, respectively. The mean recoveries in all matrices and at three spiking concentrations ranged from 64.4% to 149.5% and 71.9% to 126.2% for the GPC and Z-Sep methods, with relative standard deviation between 1.5-25.3% and 1.3-15.9%, respectively. The results showed that the Z-Sep method was more suitable for the determination of the target pesticides, especially chlorothalonil, in bee hive samples. The Z-Sep method was then validated using a series of field-collected bee hive samples taken from honey bee colonies in Virginia. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Influence of soil organic C content on the greenhouse gas emission potential after application of biogas residues or cattle slurry - Results from a pot experiment

    Science.gov (United States)

    Heintze, Gawan

    2017-04-01

    Influence of soil organic C content on the greenhouse gas emission potential after application of biogas residues or cattle slurry - Results from a pot experiment Gawan Heintze1,2, Tim Eickenscheidt1, Urs Schmidthalter2 and Matthias Drösler1 1University of Applied Sciences Weihenstephan-Triesdorf, Chair of Vegetation Ecology, Weihenstephaner Berg 4, 85354 Freising, Germany 2Technische Universität München, Chair of Plant Nutrition, Emil-Ramann-Str. 2, 85354 Freising, Germany The European Union Renewable Energy Directive, which sets a binding target of a final energy consumption of 20% from renewable sources by 2020, has markedly promoted the increase of biogas plants, particularly in Germany. As a consequence, a large amount of biogas residue remains as a by-product of the fermentative process. These residues are now widely used instead of mineral fertilizers or animal slurries to maintain soil fertility and productivity. However, to date, the effect of the application of biogas residue on greenhouse gas (GHG) emission, compared to that of other organic fertilizers, is contradictory in literature, not having been completely understood. It is often stated that GHG fluxes are closely related to the quality of the raw material, particularly the type of soil to which the digestates are applied. This study addresses the questions (a) to what extent are the applications of biogas digestate and cattle slurry different in terms of their GHG emission (CO2, CH4 and N2O) potential, and (b) how do different soil organic carbon contents (SOCs) influence the rate of GHG exchange. We hypothesize that, i) cattle slurry application enhances the CO2 and N2O fluxes compared to the biogas digestate due to the overall higher C and N input, and ii) that with increasing SOC and N content, higher emissions of CO2 and N2O can be expected. The study was conducted as a pot experiment. Biogas digestate and cattle slurry were applied to and incorporated into three different soil types with

  17. Chemical Control of Black Flies in Large Rivers as an Impact in Agrochemical Residue-Biota Interactions in Water Ecosystems

    International Nuclear Information System (INIS)

    Haufe, W.O.

    1981-01-01

    Livestock losses have been an obstacle to economic development of the farming and livestock industry in more northerly areas of Canada until two species of black fly, Simulium arcticum and S. luggeri, outbreaks are controlled effectively. The problem is complicated by its association with an abundance of large rivers and streams. Since effective control of black flies is presently limited to reduction of their breeding sources in flowing water, the managers of Canadian inland waters have been concerned about any major practice of using pesticides as black fly larvicides. Consequently, Canadian inland waters have been subject to continuous monitoring of major drainage systems with special attention to the chlorinated hydrocarbon insecticides. The latest status of residues was published from a Canadian Survey of 333 sampling locations between 1972 and 1975

  18. Decay of superfluid currents in the interacting one-dimensional Bose gas

    NARCIS (Netherlands)

    Cherny, A.Y.; Caux, J.S.; Brand, J.

    2009-01-01

    We examine the superfluid properties of a one-dimensional (1D) Bose gas in a ring trap based on the model of Lieb and Liniger. While the 1D Bose gas has nonclassical rotational inertia and exhibits quantization of velocities, the metastability of currents depends sensitively on the strength of

  19. Recognition of 5'-YpG-3' sequences by coupled stacking/hydrogen bonding interactions with amino acid residues.

    Science.gov (United States)

    Lamoureux, Jason S; Maynes, Jason T; Glover, J N Mark

    2004-01-09

    The combined biochemical and structural study of hundreds of protein-DNA complexes has indicated that sequence-specific interactions are mediated by two mechanisms termed direct and indirect readout. Direct readout involves direct interactions between the protein and base-specific atoms exposed in the major and minor grooves of DNA. For indirect readout, the protein recognizes DNA by sensing conformational variations in the structure dependent on nucleotide sequence, typically through interactions with the phosphodiester backbone. Based on our recent structure of Ndt80 bound to DNA in conjunction with a search of the existing PDB database, we propose a new method of sequence-specific recognition that utilizes both direct and indirect readout. In this mode, a single amino acid side-chain recognizes two consecutive base-pairs. The 3'-base is recognized by canonical direct readout, while the 5'-base is recognized through a variation of indirect readout, whereby the conformational flexibility of the particular dinucleotide step, namely a 5'-pyrimidine-purine-3' step, facilitates its recognition by the amino acid via cation-pi interactions. In most cases, this mode of DNA recognition helps explain the sequence specificity of the protein for its target DNA.

  20. Nature of the interaction between rare gas atoms and transition metal doped silicon clusters: the role of shielding effects.

    Science.gov (United States)

    Ngan, Vu Thi; Janssens, Ewald; Claes, Pieterjan; Fielicke, André; Nguyen, Minh Tho; Lievens, Peter

    2015-07-21

    Mass spectrometry experiments show an exceptionally weak bonding between Si7Mn(+) and rare gas atoms as compared to other exohedrally transition metal (TM) doped silicon clusters and other SinMn(+) (n = 5-10) sizes. The Si7Mn(+) cluster does not form Ar complexes and the observed fraction of Xe complexes is low. The interaction of two cluster series, SinMn(+) (n = 6-10) and Si7TM(+) (TM = Cr, Mn, Cu, and Zn), with Ar and Xe is investigated by density functional theory calculations. The cluster-rare gas binding is for all clusters, except Si7Mn(+) and Si7Zn(+), predominantly driven by short-range interaction between the TM dopant and the rare gas atoms. A high s-character electron density on the metal atoms in Si7Mn(+) and Si7Zn(+) shields the polarization toward the rare gas atoms and thereby hinders formation of short-range complexes. Overall, both Ar and Xe complexes are similar except that the larger polarizability of Xe leads to larger binding energies.

  1. Spring Chinook Salmon Interactions Indices and Residual/Precocial Monitoring in the Upper Yakima Basin; Yakima/Klickitat Fisheries Project Monitoring and Evaluation, 2001-2002 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Pearsons, Todd N.; James, Brenda B.; Johnson, Christopher L. (Washington Department of Fish and Wildlife, Olympia, WA)

    2003-05-01

    This report examines some of the factors that can influence the success of supplementation, which is currently being tested in the Yakima Basin using upper Yakima stock of spring chinook salmon. Supplementation success in the Yakima Basin is defined relative to four topic areas: natural production, genetics, ecological interactions, and harvest (Busack et al. 1997). The success of spring chinook salmon supplementation in the Yakima Basin is dependent, in part, upon fish culture practices and favorable physical and biological conditions in the natural environment (Busack et al. 1997). Shortfalls in either of these two topics (i.e., failure in culturing many fish that have high long-term fitness or environmental conditions that constrain spring chinook salmon production) will cause supplementation success to be limited. For example, inadvertent selection or propagation of spring chinook that residualize or precocially mature may hinder supplementation success. Spring chinook salmon that residualize (do not migrate during the normal migration period) may have lower survival rates than migrants and, additionally, may interact with wild fish and cause unacceptable impacts to non-target taxa. Large numbers of precocials (nonanadromous spawners) may increase competition for females and significantly skew ratios of offspring sired by nonanadromous males, which could result in more nonanadromous spring chinook in future generations. Conditions in the natural environment may also limit the success of spring chinook supplementation. For example, intra or interspecific competition may constrain spring chinook salmon production. Spring chinook salmon juveniles may compete with each other for food or space or compete with other species that have similar ecological requirements. Monitoring of spring chinook salmon residuals, precocials, prey abundance, carrying capacity, and competition will help researchers interpret why supplementation is working or not working (Busack et al

  2. Genetic interactions between the hedgehog co-receptors Gas1 and Boc regulate cell proliferation during murine palatogenesis.

    Science.gov (United States)

    Xavier, Guilherme M; Seppala, Maisa; Papageorgiou, Spyridon N; Fan, Chen-Ming; Cobourne, Martyn T

    2016-11-29

    Abnormal regulation of Sonic hedgehog (Shh) signaling has been described in a variety of human cancers and developmental anomalies, which highlights the essential role of this signaling molecule in cell cycle regulation and embryonic development. Gas1 and Boc are membrane co-receptors for Shh, which demonstrate overlapping domains of expression in the early face. This study aims to investigate potential interactions between these co-receptors during formation of the secondary palate. Mice with targeted mutation in Gas1 and Boc were used to generate Gas1; Boc compound mutants. The expression of key Hedgehog signaling family members was examined in detail during palatogenesis via radioactive in situ hybridization. Morphometric analysis involved computational quantification of BrdU-labeling and cell packing; whilst TUNEL staining was used to assay cell death. Ablation of Boc in a Gas1 mutant background leads to reduced Shh activity in the palatal shelves and an increase in the penetrance and severity of cleft palate, associated with failed elevation, increased proliferation and reduced cell death. Our findings suggest a dual requirement for Boc and Gas1 during early development of the palate, mediating cell cycle regulation during growth and subsequent fusion of the palatal shelves.

  3. Interaction between gas cooking and GSTM1 null genotype in bronchial responsiveness: results from the European Community Respiratory Health Survey

    Science.gov (United States)

    Amaral, André F S; Ramasamy, Adaikalavan; Castro-Giner, Francesc; Minelli, Cosetta; Accordini, Simone; Sørheim, Inga-Cecilie; Pin, Isabelle; Kogevinas, Manolis; Jõgi, Rain; Balding, David J; Norbäck, Dan; Verlato, Giuseppe; Olivieri, Mario; Probst-Hensch, Nicole; Janson, Christer; Zock, Jan-Paul; Heinrich, Joachim; Jarvis, Deborah L

    2014-01-01

    Background Increased bronchial responsiveness is characteristic of asthma. Gas cooking, which is a major indoor source of the highly oxidant nitrogen dioxide, has been associated with respiratory symptoms and reduced lung function. However, little is known about the effect of gas cooking on bronchial responsiveness and on how this relationship may be modified by variants in the genes GSTM1, GSTT1 and GSTP1, which influence antioxidant defences. Methods The study was performed in subjects with forced expiratory volume in one second at least 70% of predicted who took part in the multicentre European Community Respiratory Health Survey, had bronchial responsiveness assessed by methacholine challenge and had been genotyped for GSTM1, GSTT1 and GSTP1-rs1695. Information on the use of gas for cooking was obtained from interviewer-led questionnaires. Effect modification by genotype on the association between the use of gas for cooking and bronchial responsiveness was assessed within each participating country, and estimates combined using meta-analysis. Results Overall, gas cooking, as compared with cooking with electricity, was not associated with bronchial responsiveness (β=−0.08, 95% CI −0.40 to 0.25, p=0.648). However, GSTM1 significantly modified this effect (β for interaction=−0.75, 95% CI −1.16 to −0.33, p=4×10−4), with GSTM1 null subjects showing more responsiveness if they cooked with gas. No effect modification by GSTT1 or GSTP1-rs1695 genotypes was observed. Conclusions Increased bronchial responsiveness was associated with gas cooking among subjects with the GSTM1 null genotype. This may reflect the oxidant effects on the bronchi of exposure to nitrogen dioxide. PMID:24613990

  4. Uncovering the local inelastic interactions during manufacture of ductile cast iron: How the substructure of the graphite particles can induce residual stress concentrations in the matrix

    Science.gov (United States)

    Andriollo, Tito; Hellström, Kristina; Sonne, Mads Rostgaard; Thorborg, Jesper; Tiedje, Niels; Hattel, Jesper

    2018-02-01

    Recent X-ray diffraction (XRD) measurements have revealed that plastic deformation and a residual elastic strain field can be present around the graphite particles in ductile cast iron after manufacturing, probably due to some local mismatch in thermal contraction. However, as only one component of the elastic strain tensor could be obtained from the XRD data, the shape and magnitude of the associated residual stress field have remained unknown. To compensate for this and to provide theoretical insight into this unexplored topic, a combined experimental-numerical approach is presented in this paper. First, a material equivalent to the ductile cast iron matrix is manufactured and subjected to dilatometric and high-temperature tensile tests. Subsequently, a two-scale hierarchical top-down model is devised, calibrated on the basis of the collected data and used to simulate the interaction between the graphite particles and the matrix during manufacturing of the industrial part considered in the XRD study. The model indicates that, besides the viscoplastic deformation of the matrix, the effect of the inelastic deformation of the graphite has to be considered to explain the magnitude of the XRD strain. Moreover, the model shows that the large elastic strain perturbations recorded with XRD close to the graphite-matrix interface are not artifacts due to e.g. sharp gradients in chemical composition, but correspond to residual stress concentrations induced by the conical sectors forming the internal structure of the graphite particles. In contrast to common belief, these results thus suggest that ductile cast iron parts cannot be considered, in general, as stress-free at the microstructural scale.

  5. Natural gas storage - end user interaction. Final report, September 1992--May 1996

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    The primary purpose of this project is to develop an understanding of the market for natural gas storage that will provide for rigorous evaluation of federal research and development opportunities in storage technologies. The project objectives are: (1) to identify market areas and end use sectors where new natural gas underground storage capacity can be economically employed; (2) to develop a storage evaluation system that will provide the analytical tool to evaluate storage requirements under alternate economic, technology, and market conditions; and (3) to analyze the economic and technical feasibility of alternatives to conventional gas storage. An analytical approach was designed to examine storage need and economics on a total U.S. gas system basis, focusing on technical and market issues. Major findings of each subtask are reported in detail. 79 figs.

  6. Power-law distributions for a trapped ion interacting with a classical buffer gas.

    Science.gov (United States)

    DeVoe, Ralph G

    2009-02-13

    Classical collisions with an ideal gas generate non-Maxwellian distribution functions for a single ion in a radio frequency ion trap. The distributions have power-law tails whose exponent depends on the ratio of buffer gas to ion mass. This provides a statistical explanation for the previously observed transition from cooling to heating. Monte Carlo results approximate a Tsallis distribution over a wide range of parameters and have ab initio agreement with experiment.

  7. The Shigella flexneri OmpA amino acid residues 188EVQ190 are essential for the interaction with the virulence factor PhoN2.

    Science.gov (United States)

    Scribano, Daniela; Damico, Rosanna; Ambrosi, Cecilia; Superti, Fabiana; Marazzato, Massimiliano; Conte, Maria Pia; Longhi, Catia; Palamara, Anna Teresa; Zagaglia, Carlo; Nicoletti, Mauro

    2016-12-01

    Shigella flexneri is an intracellular pathogen that deploys an arsenal of virulence factors promoting host cell invasion, intracellular multiplication and intra- and inter-cellular dissemination. We have previously reported that the interaction between apyrase (PhoN2), a periplasmic ATP-diphosphohydrolase, and the C-terminal domain of the outer membrane (OM) protein OmpA is likely required for proper IcsA exposition at the old bacterial pole and thus for full virulence expression of Shigella flexneri (Scribano et al., 2014). OmpA, that is the major OM protein of Gram-negative bacteria, is a multifaceted protein that plays many different roles both in the OM structural integrity and in the virulence of several pathogens. Here, by using yeast two-hybrid technology and by constructing an in silico 3D model of OmpA from S. flexneri 5a strain M90T, we observed that the OmpA residues 188 EVQ 190 are likely essential for PhoN2-OmpA interaction. The 188 EVQ 190 amino acids are located within a flexible region of the OmpA protein that could represent a scaffold for protein-protein interaction.

  8. Two-quasineutron states in 98248Cf and 98250Cf and the neutron-neutron residual interactions

    International Nuclear Information System (INIS)

    Katori, K.; Ahmad, I.; Friedman, A. M.

    2008-01-01

    Two-quasineutron states in 248 Cf and 250 Cf were investigated by single-neutron transfer reactions, 249 Cf(d,t) 248 Cf and 249 Cf(d,p) 250 Cf. The majority of levels observed were assigned to 12 bands in 248 Cf and six bands in 250 Cf, constructed from the single-particle states in neighboring Cf nuclei. The effective two-body interactions between two odd neutrons coupled outside a deformed core were deduced from the differences in the energies of the bandheads formed by the parallel and antiparallel coupling of the intrinsic spins of the two single-particle states

  9. /sup 13/C nuclear magnetic resonance study of the interaction of ligands with arginine residues in dihydrofolate reductase

    Energy Technology Data Exchange (ETDEWEB)

    Cocco, L. (Univ. of Iowa, Iowa City); Blakley, R.L.; Walker, T.E.; London, R.E.

    1977-01-01

    /sup 13/C NMR spectra of Streptococcus faecium dihydrofolate reductase containing (/sup 13/C-guanidino) arginine and ligand complexes with the labeled enzyme are reported. The spectrum of the native enzyme shows 5 well-resolved resonances (the enzyme contains 8 Arg) with a chemical shift range of 1.2 ppM. Addition of ligands to the enzyme produces distinct changes in the enzyme spectrum, and demonstrates that /sup 13/C NMR of labeled protein can be used in studies of protein-ligand interactions. An example of the use of /sup 13/C-depleted material is also presented.

  10. Interaction of acid mine drainage with Ordinary Portland Cement blended solid residues generated from active treatment of acid mine drainage with coal fly ash.

    Science.gov (United States)

    Gitari, Wilson M; Petrik, Leslie F; Key, David L; Okujeni, Charles

    2011-01-01

    Fly ash (FA) has been investigated as a possible treatment agent for Acid mine drainage (AMD) and established to be an alternative, cheap and economically viable agent compared to the conventional alkaline agents. However, this treatment option also leads to generation of solid residues (SR) that require disposal and one of the proposed disposal method is a backfill in coal mine voids. In this study, the interaction of the SR with AMD that is likely to be present in such backfill scenario was simulated by draining columns packed with SR and SR + 6% Ordinary Portland Cement (OPC) unsaturated with simulated AMD over a 6 month period. The evolving geochemistry of the liquid/solid (L/S) system was evaluated in-terms of the mineral phases likely or controlling contaminants attenuation at the different pH regimes generated. Stepwise acidification of the percolates was observed as the drainage progressed. Two pH buffer zones were observed (7.5-9 and 3-4) for SR and (11.2-11.3 and 3.5-4) for SR + 6% OPC. The solid residue cores (SR) appeared to have a significant buffering capacity, maintaining a neutral to slightly alkaline pH in the leachates for an extended period of time (97 days: L/S 4.3) while SR + 6% OPC reduced this neutralization capacity to 22 days (L/S 1.9). Interaction of AMD with SR or SR + 6% OPC generated alkaline conditions that favored precipitation of Fe, Al, Mn-(oxy) hydroxides, Fe and Ca-Al hydroxysulphates that greatly contributed to the contaminants removal. However, precipitation of these phases was restricted to the pH of the leachates remaining at neutral to circum-neutral levels. Backfill of mine voids with SR promises to be a feasible technology for the disposal of the SR but its success will greatly depend on the disposal scenario, AMD generated and the alkalinity generating potential of the SR. A disadvantage would be the possible re-dissolution of the precipitated phases at pH water column. However extrapolation of this concept to a field

  11. Responses of spruce seedlings (Picea abies) to exhaust gas under laboratory conditions. 1. plant-insect interactions

    Energy Technology Data Exchange (ETDEWEB)

    Viskari, E.-L.; Koessi, S. [Kuopio Univ. (Finland). Dept. of Ecology and Environmental Science; Surakka, J.; Pasanen, P.; Ruuskanen, J. [Kuopio Univ. (Finland). Dept. of Environmental Sciences; Mirme, A. [Tartu Univ. (Estonia). Int. of Environmental Physics; Holopainen, J.K. [Kuopio Univ. (Finland). Dept. of Ecology and Environmental Science; Agricultural Research Centre, Plant Production research, Jokioinen (Finland)

    2000-07-01

    The effects of motor vehicle exhaust gas on Norway spruce seedlings (Picea abies (L) Karst) and plant-insect interaction of spruce shoot aphid (Cinara pilicornis Hartig) was studied. The exhaust gas concentrations in the fumigation chambers were monitored and controlled by measuring the concentration of nitrogen oxides (NO{sub x}) with a computer aided feedback system. The concentrations of major exhaust gas components (black carbon (BC), fine particles, VOCs and carbonyl compounds) in the chamber air were also measured. Responses of Norway spruce seedlings to a 2 and 3 week exhaust gas exposure and subsequent performance of spruce shoot aphid were studied using realistic exposure regimes; 50, 100 and 200 ppb NO{sub x}. The feedback control system based on NO{sub x} concentrations proved an adequate and practical means for controlling the concentration of exhaust gases and studying plant responses in controlled environment chambers. The exhaust exposure resulted in increased concentrations of proline, glutamine, threonine, aspartic acid, glycine and phenylalanine and decreased concentration of arginine, serine, alanine and glycine in young needles. No changes in soluble N concentrations were observed. The results are interpreted as a stress response rather than use of NO{sub x} as a nitrogen source. No changes in total phenolics and only transient changes in some individual terpene concentrations were detected. The exhaust gas exposure stressed the exposed seedlings, but had no significant effect on N metabolism or the production of defence chemicals. Aphid performance was not significantly affected. Soluble N, secondary metabolism and aphid performance were not sensitive to exhaust gas exposure during shoot elongation in Norway spruce. (author)

  12. Electron gas interacting in a metal, submitted to a strong magnetic field; Gas de eletrons interagentes num metal, sujeito a um campo magnetico forte

    Energy Technology Data Exchange (ETDEWEB)

    Alcaraz, Francisco Castilho

    1977-07-01

    Using the propagator's technique in the grand ensemble developed by Montroll and Ward we investigate the magnetic properties of an interacting electron gas in a strong magnetic field. The free propagator properly constructed shows that the spin paramagnetism does not have a term with strong temperature dependence, contrary to the result of Isihara. Considering the electron density to be constant, the dHVA oscillations in the magnetic susceptibility and sound velocity, considering the effects of first exchange interactions, show only one phase in agreement with experimental result, while Ichimura and Isihara obtained two phases differing by {pi}/2. The effects of first order exchange interactions in the dHVA oscillations of the magnetic susceptibility and sound velocity give rise to an exponential factor in the amplitudes of oscillator (Dingle factor), being the Dingle temperature linearly dependent of the Fermi velocity. The calculations of the ring diagram contribution to the grand partition function, show that the approximation used by Isihara for this calculations is not good and the dHVA oscillations of the contributions from the ring diagrams for the grand partition function have a phase differing by {pi}/2 from that obtained by Isihara. (author)

  13. The SAMI Galaxy Survey: gas content and interaction as the drivers of kinematic asymmetry

    Science.gov (United States)

    Bloom, J. V.; Croom, S. M.; Bryant, J. J.; Schaefer, A. L.; Bland-Hawthorn, J.; Brough, S.; Callingham, J.; Cortese, L.; Federrath, C.; Scott, N.; van de Sande, J.; D'Eugenio, F.; Sweet, S.; Tonini, C.; Allen, J. T.; Goodwin, M.; Green, A. W.; Konstantopoulos, I. S.; Lawrence, J.; Lorente, N.; Medling, A. M.; Owers, M. S.; Richards, S. N.; Sharp, R.

    2018-05-01

    In order to determine the causes of kinematic asymmetry in the Hα gas in the SAMI (Sydney-AAO Multi-object IFS) Galaxy Survey sample, we investigate the comparative influences of environment and intrinsic properties of galaxies on perturbation. We use spatially resolved Hα velocity fields from the SAMI Galaxy Survey to quantify kinematic asymmetry (\\overline{v_asym}) in nearby galaxies and environmental and stellar mass data from the Galaxy And Mass Assembly survey. We find that local environment, measured as distance to nearest neighbour, is inversely correlated with kinematic asymmetry for galaxies with log (M*/M⊙) > 10.0, but there is no significant correlation for galaxies with log (M*/M⊙) galaxies [log (M*/M⊙) galaxies. We propose that secular effects derived from gas fraction and gas mass may be the primary causes of asymmetry in low-mass galaxies. High gas fraction is linked to high σ _m/V (where σm is Hα velocity dispersion and V the rotation velocity), which is strongly correlated with \\overline{v_asym}, and galaxies with log (M*/M⊙) galaxies with log (M*/M⊙) galaxies may lead to asymmetric distribution of gas clouds, leading to increased relative turbulence.

  14. The SAMI Galaxy Survey: gas content and interaction as the drivers of kinematic asymmetry

    Science.gov (United States)

    Bloom, J. V.; Croom, S. M.; Bryant, J. J.; Schaefer, A. L.; Bland-Hawthorn, J.; Brough, S.; Callingham, J.; Cortese, L.; Federrath, C.; Scott, N.; Sande, J. van de; D'Eugenio, F.; Sweet, S.; Tonini, C.; Allen, J. T.; Goodwin, M.; Green, A. W.; Konstantopoulos, I. S.; Lawrence, J.; Lorente, N.; Medling, A. M.; Owers, M. S.; Richards, S. N.; Sharp, R.

    2018-02-01

    In order to determine the causes of kinematic asymmetry in the Hα gas in the SAMI Galaxy Survey sample, we investigate the comparative influences of environment and intrinsic properties of galaxies on perturbation. We use spatially resolved Hα velocity fields from the SAMI Galaxy Survey to quantify kinematic asymmetry (\\overline{v_{asym}}) in nearby galaxies and environmental and stellar mass data from the GAMA survey. We find that local environment, measured as distance to nearest neighbour, is inversely correlated with kinematic asymmetry for galaxies with log (M_*/M_⊙ )>10.0, but there is no significant correlation for galaxies with log (M_*/M_⊙ )galaxies (log (M_*/M_⊙ )galaxies. We propose that secular effects derived from gas fraction and gas mass may be the primary causes of asymmetry in low mass galaxies. High gas fraction is linked to high σ m/V (where σm is Hα velocity dispersion and V the rotation velocity), which is strongly correlated with \\overline{v_{asym}}, and galaxies with log (M*/M⊙) galaxies with log (M*/M⊙) dwarf galaxies may lead to asymmetric distribution of gas clouds, leading to increased relative turbulence.

  15. Slow-light enhanced light-matter interactions with applications to gas sensing

    DEFF Research Database (Denmark)

    Jensen, Kåre Hartvig; Zainal Alam, Muhd Nazrul Hisham; Scherer, B.

    2008-01-01

    Optical gas detection in microsystems is limited by the short micron scale optical path length available. Recently, the concept of slow-light enhanced absorption has been proposed as a route to compensate for the short path length in miniaturized absorption cells. We extend the previous perturbat......Optical gas detection in microsystems is limited by the short micron scale optical path length available. Recently, the concept of slow-light enhanced absorption has been proposed as a route to compensate for the short path length in miniaturized absorption cells. We extend the previous...... path length for visible to near-infrared detection (760 nm) can be reduced by at least a factor of 102, making a path length of 1 mm feasible. By using this technique, optical gas detection can potentially be made possible in microsystems....

  16. Gas-surface interactions using accommodation coefficients for a dilute and a dense gas in a micro- or nanochannel: heat flux predictions using combined molecular dynamics and Monte Carlo techniques.

    Science.gov (United States)

    Nedea, S V; van Steenhoven, A A; Markvoort, A J; Spijker, P; Giordano, D

    2014-05-01

    The influence of gas-surface interactions of a dilute gas confined between two parallel walls on the heat flux predictions is investigated using a combined Monte Carlo (MC) and molecular dynamics (MD) approach. The accommodation coefficients are computed from the temperature of incident and reflected molecules in molecular dynamics and used as effective coefficients in Maxwell-like boundary conditions in Monte Carlo simulations. Hydrophobic and hydrophilic wall interactions are studied, and the effect of the gas-surface interaction potential on the heat flux and other characteristic parameters like density and temperature is shown. The heat flux dependence on the accommodation coefficient is shown for different fluid-wall mass ratios. We find that the accommodation coefficient is increasing considerably when the mass ratio is decreased. An effective map of the heat flux depending on the accommodation coefficient is given and we show that MC heat flux predictions using Maxwell boundary conditions based on the accommodation coefficient give good results when compared to pure molecular dynamics heat predictions. The accommodation coefficients computed for a dilute gas for different gas-wall interaction parameters and mass ratios are transferred to compute the heat flux predictions for a dense gas. Comparison of the heat fluxes derived using explicit MD, MC with Maxwell-like boundary conditions based on the accommodation coefficients, and pure Maxwell boundary conditions are discussed. A map of the heat flux dependence on the accommodation coefficients for a dense gas, and the effective accommodation coefficients for different gas-wall interactions are given. In the end, this approach is applied to study the gas-surface interactions of argon and xenon molecules on a platinum surface. The derived accommodation coefficients are compared with values of experimental results.

  17. Development of the institutional framework of interaction with engineering UFD Russian oil and gas complex

    Directory of Open Access Journals (Sweden)

    S. Y. Yurpalov

    2005-03-01

    Full Text Available The trends developing in the Russian market of equipment for the oil and gas industry. The main reasons for the decline in production in the oil and gas engineering. The estimation of the negative trends of decrease in volumes of exploration works, the institutional environment of economic activity. The directions of cooperation of engineering enterprises of the Urals Federal District, serving the energy industry, with consumers. A set of measures to strengthen cooperation with Innovative Energy Engineering at the various levels of state regulation.

  18. LEDGIN-mediated Inhibition of Integrase–LEDGF/p75 Interaction Reduces Reactivation of Residual Latent HIV

    Directory of Open Access Journals (Sweden)

    Lenard S. Vranckx

    2016-06-01

    Full Text Available Persistence of latent, replication-competent Human Immunodeficiency Virus type 1 (HIV-1 provirus is the main impediment towards a cure for HIV/AIDS (Acquired Immune Deficiency Syndrome. Therefore, different therapeutic strategies to eliminate the viral reservoirs are currently being explored. We here propose a novel strategy to reduce the replicating HIV reservoir during primary HIV infection by means of drug-induced retargeting of HIV integration. A novel class of integration inhibitors, referred to as LEDGINs, inhibit the interaction between HIV integrase and the LEDGF/p75 host cofactor, the main determinant of lentiviral integration site selection. We show for the first time that LEDGF/p75 depletion hampers HIV-1 reactivation in cell culture. Next we demonstrate that LEDGINs relocate and retarget HIV integration resulting in a HIV reservoir that is refractory to reactivation by different latency-reversing agents. Taken together, these results support the potential of integrase inhibitors that modulate integration site targeting to reduce the likeliness of viral rebound.

  19. LEDGIN-mediated Inhibition of Integrase-LEDGF/p75 Interaction Reduces Reactivation of Residual Latent HIV.

    Science.gov (United States)

    Vranckx, Lenard S; Demeulemeester, Jonas; Saleh, Suha; Boll, Annegret; Vansant, Gerlinde; Schrijvers, Rik; Weydert, Caroline; Battivelli, Emilie; Verdin, Eric; Cereseto, Anna; Christ, Frauke; Gijsbers, Rik; Debyser, Zeger

    2016-06-01

    Persistence of latent, replication-competent Human Immunodeficiency Virus type 1 (HIV-1) provirus is the main impediment towards a cure for HIV/AIDS (Acquired Immune Deficiency Syndrome). Therefore, different therapeutic strategies to eliminate the viral reservoirs are currently being explored. We here propose a novel strategy to reduce the replicating HIV reservoir during primary HIV infection by means of drug-induced retargeting of HIV integration. A novel class of integration inhibitors, referred to as LEDGINs, inhibit the interaction between HIV integrase and the LEDGF/p75 host cofactor, the main determinant of lentiviral integration site selection. We show for the first time that LEDGF/p75 depletion hampers HIV-1 reactivation in cell culture. Next we demonstrate that LEDGINs relocate and retarget HIV integration resulting in a HIV reservoir that is refractory to reactivation by different latency-reversing agents. Taken together, these results support the potential of integrase inhibitors that modulate integration site targeting to reduce the likeliness of viral rebound. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

  20. Vadose zone attenuation of organic compounds at a crude oil spill site - Interactions between biogeochemical reactions and multicomponent gas transport

    Science.gov (United States)

    Molins, S.; Mayer, K.U.; Amos, R.T.; Bekins, B.A.

    2010-01-01

    balance. Overall, the model was successful in capturing the complex interactions between biogeochemical reactions and multicomponent gas transport processes. However, despite employing a process-based modeling approach, honoring observed parameter ranges, and generally obtaining good agreement between field observations and model simulations, accurate quantification of natural attenuation rates remains difficult. The modeling results are affected by uncertainties regarding gas phase saturations, tortuosities, and the magnitude of CH4 and CO2 flux from the smear zone. These findings highlight the need to better delineate gas fluxes at the model boundaries, which will help constrain contaminant degradation rates, and ultimately source zone longevity. ?? 2009 Elsevier B.V.

  1. Effects of donor-acceptor electronic interactions on the rates of gas-phase metallocene electron-exchange reactions

    Energy Technology Data Exchange (ETDEWEB)

    Phelps, D.K.; Gord, J.R.; Freiser, B.S.; Weaver, M.J. (Purdue Univ., West Lafayette, IN (United States))

    1991-05-30

    Rate constants for electron self-exchange, k{sub ex}, of five cobaltocenium-cobaltocene and ferrocenium-ferrocene couples in the gas phase have been measured by means of Fourier transform ion cyclotron resonance mass spectrometry in order to explore the possible effects of donor-acceptor electronic coupling on gas-phase redox reactivity. The systems studied, Cp{sub 2}Co{sup +/0}, Cp{sub 2}Fe{sup +/0} (Cp = cyclopentadienyl), the decamethyl derivative Cp{prime}{sub 2}Fe{sup +/0}, carboxymethyl(cobaltocenium-cobaltocene) (Cp{sub 2}{sup e}Co{sup +/0}), and hydroxymethyl(ferrocenium-ferrocene) (HMFc{sup +/0}), were selected in view of the substantial variations in electronic coupling inferred on the basis of their solvent-dependent reactivities and theoretical grounds. The sequence of k{sub ex} values determined in the gas phase, Cp{sub 2}{sup e}Co{sup +/0} {approx} Cp{sub 2}Co{sup +/0} > Cp{prime}{sub 2}Fe{sup +/0} > HMFc{sup +/0} > Cp{sub 2}Fe{sup +/0}, is roughly similar to that observed in solution, although the magnitude (up to 5-fold) of the k{sub ex} variations is smaller in the former case. The likely origins of these differences in gas-phase reactivity are discussed in light of the known variations in the electronic coupling matrix element H{sub 12}, inner-shell reorganization energy {Delta}E*, and gas-phase ion-molecule interaction energy {Delta}E{sub w} extracted from solution-phase rates, structural data, and theoretical calculations. It is concluded that the observed variations in gas-phase k{sub ex} values, especially for Cp{sub 2}Fe{sup +/0} versus Cp{sub 2}Co{sup +/0}, arise predominantly from the presence of weaker donor-acceptor orbital overlap for the ferrocene couples, yielding inefficient electron tunneling for a substantial fraction of the gas-phase ion-molecule encounters. The anticipated differences as well as similarities of such nonadiabatic effects for gas-phase and solution electron-transfer processes are briefly outlined.

  2. Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions ─ Part 2: Exemplary practical applications and numerical simulations

    OpenAIRE

    M. Ammann; U. Pöschl

    2007-01-01

    International audience; A kinetic model framework with consistent and unambiguous terminology and universally applicable rate equations and parameters for aerosol and cloud surface chemistry and gas-particle interactions has been presented in the preceding companion paper by Pöschl, Rudich and Ammann (Pöschl et al., 2005), abbreviated PRA. It allows to describe mass transport and chemical reaction at the gas-particle interface and to link aerosol and cloud surface processes with gas phase and...

  3. Residuation theory

    CERN Document Server

    Blyth, T S; Sneddon, I N; Stark, M

    1972-01-01

    Residuation Theory aims to contribute to literature in the field of ordered algebraic structures, especially on the subject of residual mappings. The book is divided into three chapters. Chapter 1 focuses on ordered sets; directed sets; semilattices; lattices; and complete lattices. Chapter 2 tackles Baer rings; Baer semigroups; Foulis semigroups; residual mappings; the notion of involution; and Boolean algebras. Chapter 3 covers residuated groupoids and semigroups; group homomorphic and isotone homomorphic Boolean images of ordered semigroups; Dubreil-Jacotin and Brouwer semigroups; and loli

  4. The Effect of Cholesterol on the Long-Range Network of Interactions Established among Sea Anemone Sticholysin II Residues at the Water-Membrane Interface

    Directory of Open Access Journals (Sweden)

    Sara García-Linares

    2015-03-01

    Full Text Available Actinoporins are α-pore forming proteins with therapeutic potential, produced by sea anemones. Sticholysin II (StnII from Stichodactyla helianthus is one of its most extensively characterized members. These proteins remain stably folded in water, but upon interaction with lipid bilayers, they oligomerize to form a pore. This event is triggered by the presence of sphingomyelin (SM, but cholesterol (Chol facilitates pore formation. Membrane attachment and pore formation require changes involving long-distance rearrangements of residues located at the protein-membrane interface. The influence of Chol on membrane recognition, oligomerization, and/or pore formation is now studied using StnII variants, which are characterized in terms of their ability to interact with model membranes in the presence or absence of Chol. The results obtained frame Chol not only as an important partner for SM for functional membrane recognition but also as a molecule which significantly reduces the structural requirements for the mentioned conformational rearrangements to occur. However, given that the DOPC:SM:Chol vesicles employed display phase coexistence and have domain boundaries, the observed effects could be also due to the presence of these different phases on the membrane. In addition, it is also shown that the Arg51 guanidinium group is strictly required for membrane recognition, independently of the presence of Chol.

  5. Direct evidence of gas-induced laser beam smoothing in the interaction with thin foils

    Czech Academy of Sciences Publication Activity Database

    Benocci, R.; Batani, D.; Dezulian, R.; Redaelli, R.; Lucchini, G.; Canova, F.; Stabile, H.; Fauré, J.; Krouský, Eduard; Mašek, Karel; Pfeifer, Miroslav; Skála, Jiří; Dudžák, Roman; Koenig, M.; Tikhonchuk, V.; Nicolai, Ph.; Malka, V.

    2009-01-01

    Roč. 16, č. 1 (2009), 012703/1-012703/5 ISSN 1070-664X R&D Projects: GA MŠk(CZ) LC528 Institutional research plan: CEZ:AV0Z10100523 Keywords : foils * ionisation * plasma heating by laser * plasma shock waves Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.475, year: 2009

  6. Atom-molecule equilibration in a degenerate Fermi gas with resonant interactions

    DEFF Research Database (Denmark)

    Williams, J. E.; Nikuni, T.; Nygaard, Nicolai

    2004-01-01

    We present a nonequilibrium kinetic theory describing atom-molecule population dynamics in a two-component Fermi gas with a Feshbach resonance. Key collision integrals emerge that govern the relaxation of the atom-molecule mixture to chemical and thermal equilibrium. Our focus is on the pseudogap...

  7. Sound propagation through a rarefied gas. Influence of the gas–surface interaction

    International Nuclear Information System (INIS)

    Kalempa, Denize; Sharipov, Felix

    2012-01-01

    Highlights: ► Non-equilibrium gas properties due to sound propagation. ► Influence of gas–surface accommodation coefficients. ► Heat transfer due to thermo-acoustic waves. ► Reciprocal relations. ► Range of validity of the Navier–Stokes equations. - Abstract: Acoustic waves propagating through a rarefied gas between two plates induced by both oscillation and unsteady heating of one of them are considered on the basis of a model of the linearized Boltzmann equation. The gas flow is considered as fully established so that the dependence of all quantities on time is harmonical. The problem is solved for several values of two main parameters determining its solution, namely, the gas rarefaction defined as the ratio of the distance between the plates to the equivalent free path of gaseous molecules, and the oscillation parameter given as the ratio of the intermolecular collision frequency to the wave frequency. The reciprocal relation for such flows is obtained and verified numerically. An influence of the gas–surface accommodation coefficients on the wave characteristics is analyzed by employing the Cercignani–Lampis scattering kernel to the boundary conditions.

  8. Analysis of organo-chlorine pesticides residue in raw coffee with a modified "quick easy cheap effective rugged and safe" extraction/clean up procedure for reducing the impact of caffeine on the gas chromatography-mass spectrometry measurement.

    Science.gov (United States)

    Bresin, Bruno; Piol, Maria; Fabbro, Denis; Mancini, Maria Antonietta; Casetta, Bruno; Del Bianco, Clorinda

    2015-01-09

    The control of pesticide residues on raw coffee is a task of great importance due to high consumption of this beverage in Italy and in many other countries. High caffeine content can hamper extraction and measurement of any pesticide residue. A tandem extraction protocol has been devised by exploiting the quick easy cheap effective rugged and safe (QuEChERS) scheme for extraction, coupled to a dispersive liquid-liquid micro-extraction (DLLME) in order to drastically reduce caffeine content in the final extract. Gas chromatography-mass spectrometry (GC-MS) has been used for quantification of organo-chlorine pesticides in single ion monitoring (SIM) mode. Method has been validated and performances meet the criteria prescribed by European Union regulations. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Development and validation of a multi-residue method for the detection of a wide range of hormonal anabolic compounds in hair using gas chromatography-tandem mass spectrometry

    International Nuclear Information System (INIS)

    Rambaud, Lauriane; Monteau, Fabrice; Deceuninck, Yoann; Bichon, Emmanuelle; Andre, Francois; Le Bizec, Bruno

    2007-01-01

    The monitoring of anabolic steroid residues in hair is undoubtedly one of the most efficient strategies to demonstrate the long-term administration of these molecules in meat production animals. A multi-residue sample preparation procedure was developed and validated for 28 steroids. A 100 mg hair sample was grinded into powder and extracted at 50 deg. C with methanol. After acidic hydrolysis and extraction with ethyl acetate, phenolsteroids, such as estrogens, resorcyclic acid lactones and stilbens in one hand, are separated from androgens and progestagens in the other hand. Solid phase extractions were performed before applying a specific derivatisation for each compound sub-group. Detection and identification were achieved using gas chromatography-tandem mass spectrometry with acquisition in the selected reaction monitoring mode after electron ionisation. The method was validated according to the 2002/657/EC guideline. Decision limits (CCα) for main steroids were in the 0.1-10 μg kg -1 range

  10. A multi-residue method for pesticides analysis in green coffee beans using gas chromatography-negative chemical ionization mass spectrometry in selective ion monitoring mode.

    Science.gov (United States)

    Pizzutti, Ionara R; de Kok, Andre; Dickow Cardoso, Carmem; Reichert, Bárbara; de Kroon, Marijke; Wind, Wouter; Weber Righi, Laís; Caiel da Silva, Rosselei

    2012-08-17

    In this study, a new gas chromatography-mass spectrometry (GC-MS) method, using the very selective negative chemical ionization (NCI) mode, was developed and applied in combination with a modified acetonitrile-based extraction method (QuEChERS) for the analysis of a large number of pesticide residues (51 pesticides, including isomers and degradation products) in green coffee beans. A previously developed integrated sample homogenization and extraction method for both pesticides and mycotoxins analysis was used. An homogeneous slurry of green milled coffee beans and water (ratio 1:4, w/w) was prepared and extracted with acetonitrile/acetic acid (1%), followed by magnesium sulfate addition for phase separation. Aliquots from this extract could be used directly for LC-MS/MS analysis of mycotoxins and LC-amenable pesticides. For GC-MS analysis, a further clean-up was necessary. C18- and PSA-bonded silica were tested as dispersive solid-phase extraction (d-SPE) sorbents, separate and as a mixture, and the best results were obtained using C18-bonded silica. For the optimal sensitivity and selectivity, GC-MS detection in the NCI-selected ion monitoring (SIM) mode had to be used to allow the fast analysis of the difficult coffee bean matrix. The validation was performed by analyzing recovery samples at three different spike concentrations, 10, 20 and 50 μg kg(-1), with 6 replicates (n=6) at each concentration. Linearity (r(2)) of calibration curves, estimated instrument and method limits of detection and limits of quantification (LOD(i), LOD(m), LOQ(i) and LOQ(m), respectively), accuracy (as recovery %), precision (as RSD%) and matrix effects (%) were determined for each individual pesticide. From the 51 analytes (42 parent pesticides, 4 isomers and 5 degradation products) determined by GC-MS (NCI-SIM), approximately 76% showed average recoveries between 70-120% and 75% and RSD ≤ 20% at the lowest spike concentration of 10 μg kg(-1), the target method LOQ. For the

  11. Finite element modeling of fluid/thermal/structural interaction for a gas-cooled fast reactor core

    International Nuclear Information System (INIS)

    Bennett, J.G.; Ju, F.D.

    1980-01-01

    Two nonlinear finite element formulations for application to a series of experiments in the Gas-Cooled Fast Reactor (GCFR) development program are described. An efficient beam column element for moderately large deformations is combined with a finite element developed for an engineering description of a convecting fluid. Typical results from both elements are illustrated. A combined application for a problem typical of the GCFR loss-of-coolant experiments is illustrated. These problems are not the usual fluid structural interaction problems in that the inertia coupling is negligible while the thermal coupling is very important

  12. Potential of lignin from Canna edulis ker residue in the inhibition of α-d-glucosidase: Kinetics and interaction mechanism merging with docking simulation.

    Science.gov (United States)

    Xie, Fan; Gong, Shengxiang; Zhang, Wei; Wu, Jinhong; Wang, Zhengwu

    2017-02-01

    In this study, we extracted lignin from Canna edulis ker residue. Its chemical structure, inhibitory activity on α-d-glucosidase, and kinetics as well as interaction mechanism were investigated by using spectrum analysis and docking simulation. The isolated lignin was composed by guaiacyl and syringal units, and exhibited stronger inhibition on α-d-glucosidase than acarbose with the half maximal inhibitory concentration at 5.3±0.3μM. It was a non-competitive inhibitior with K m and K i values of 0.53±0.02mM and 0.92±0.12μM, respectively. It could quench the intrinsic fluorescence of α-d-glucosidase through a static quenching mode. The calculated values of enthalpy and entropy change were 20.8±2.5kJmol -1 and 172.7±0.8Jmol -1 K -1 , respectively. There was a single binding site on α-d-glucosidase for lignin, and the binding distance was 3.2nm. The molecular docking analysis exhibited that the hydrogen bonds, hydropholic interaction, and van der Waals forces were the main forces for lignin bind to α-d-glucosidase. This work provides a new insight into the interaction between the lignin and α-d-glucosidase, which might be beneficial to type 2 diabetes with the application of lignin in functional food and pharmacy fields. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Geochemical modeling of water-gas-rock interactions. Application to mineral diagenesis in geologic reservoirs; Modelisation geochimique des interactions eau-gaz-roche. Application a la diagenese minerale dans les reservoirs geologiques

    Energy Technology Data Exchange (ETDEWEB)

    Bildstein, O.

    1998-03-13

    The Ph.D. report describes a conceptual and numerical model for simulating gas-water-rock interaction during mineral diagenesis of sediments. The main specific features of this model are the following: applicable to open systems, half-implicit resolution numerical method, feedback on the texture evolution (grain model), existence of a gas phase, oxido-reduction phenomena. (author) 217 refs.

  14. [Plant drugs with residues of organochlorine compounds. 2. Identification of residues of DDT and its analogs by comparison of gas chromatography on packed and capillary columns and GC/MS coupling].

    Science.gov (United States)

    Benecke, R; Brotka, J; Wijsbeek, J; Franke, J P; Bruins, A P; de Zeeuw, R A

    1986-07-01

    For the GC analysis of DDT isomers and metabolites in extracts of Flores Chamomillae end Radix Valerianae the separation on a packed QF-1/OV-17 column was compared with various capillary columns of the CP-Sil type. Identification of the individual compounds could be achieved by comparing the retention behavior, chemical transformation of DDT and DDE, as well as by capillary GC-MS using single ion monitoring of substance-characteristic ion mass. In this way, residues of p,p'-DDT, o,p'-DDE and p,p'-TDE could be identified.

  15. Price interactions and discovery among natural gas spot markets in North America

    International Nuclear Information System (INIS)

    Park, Haesun; Mjelde, James W.; Bessler, David A.

    2008-01-01

    Recent advances in modeling causal flows with time series analysis are used to study relationships among eight North American natural gas spot market prices. Results indicate that the Canadian and US natural gas market is a single highly integrated market. Further results indicate that price discovery tends to reflect both regions of excess demand and supply. Across North America, Malin Hub in Oregon, Chicago Hub, Illinois, Waha, Texas, and Henry Hub, Louisiana region, are the most important markets for price discovery. Opal Hub in Wyoming is an information sink in contemporaneous time, receiving price information but passing on no price information. AECO Hub in Alberta, Canada, receives price signals from several markets and passes on information to Opal and the Oklahoma region. (author)

  16. Intergovernmental Interactions between Taxation of Oil and Gas and Environmental Protection

    OpenAIRE

    Giorgio Brosio; Juan Pablo Jimenez

    2012-01-01

    The present paper focuses on the environmental impact deriving from the production of oil and gas and how it can be controlled by using both taxing and/or regulatory instruments. The incentive to use regulations and their impact depends on the level of government to which the regulatory responsibility is assigned. It also depends on the assignment, between levels of government, of the upstream tax instruments. This is essentially because environmental control has a cost in terms of production...

  17. Establishment of a biogas grid and interaction between a biogas grid and a natural gas grid

    Energy Technology Data Exchange (ETDEWEB)

    Kvist, T.

    2011-01-15

    The project has aimed to clarify the advantages and disadvantages of a large biogas net in Ringkoebing Skjern municipality in Denmark, which wants to become self-sufficient in renewable energy by 2020. It is estimated that the biogas potential in the municipality is about. 60 mill. m3 methane gas a year. Half of the methane will be generated by digesting 80 % of the area's slurry, while the other half will be produced from energy crops. It will require an area equivalent to 5 % of the municipality's farmland. The idea is to establish decentralized 60-80 and 1-3 large centralized biogas plants, and that the produced biogas is distributed to natural gas-fired decentralized power plants. Based on this framework, a number of issues for the establishment of a biogas net have been investigated. These are: - the relation between biogas production and demand; - biogas compared to the overall energy system, - purification and measurement of biogas; - conversion of natural gas-fired power plants to biogas; - the value of biogas for cogeneration plants; - design of a biogas distribution net; - ownership and accountability; - potential business models. (LN)

  18. Post-collision interaction in Auger-electron emission of rare-gas atoms following electron-impact ionization

    Science.gov (United States)

    Ishii, H.; Iketaki, Y.; Watabe, T.; Takayanagi, T.; Wakiya, K.; Suzuki, H.; Koike, F.

    1991-01-01

    A study of post-collision interaction has been carried out experimentally for Auger-electron emission of rare-gas atoms following electron-impact ionization. Spectra of the Xe N5O23O23 (1S0), Kr M5N1N23 (1P1), and Ar L3M23M23 (1S0) Auger electrons have been measured changing the electron-impact energy from slightly above the threshold of the ionization to a few kilo-electron-volts. The Auger line shape has been analyzed using a profile formula that includes the finiteness of the velocities of all the cooperating electrons. Moreover, the analysis has partly considered the possible energy distribution of the scattered primary electron and the ejected secondary electron, due to the sharing of excess energy between them. The post-collision interaction effect is found to be absent at high excess energies.

  19. HIGH STAR FORMATION RATES IN TURBULENT ATOMIC-DOMINATED GAS IN THE INTERACTING GALAXIES IC 2163 AND NGC 2207

    Energy Technology Data Exchange (ETDEWEB)

    Elmegreen, Bruce G. [IBM Research Division, T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY 10598 (United States); Kaufman, Michele [110 Westchester Rd, Newton, MA 02458 (United States); Bournaud, Frédéric; Juneau, Stéphanie [Laboratoire AIM-Paris-Saclay, CEA/DSM-CNRS-Université Paris Diderot, Irfu/Service d’Astrophysique, CEA Saclay, Orme des Merisiers, F-91191 Gif sur Yvette (France); Elmegreen, Debra Meloy [Department of Physics and Astronomy, Vassar College, Poughkeepsie, NY 12604 (United States); Struck, Curtis [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Brinks, Elias, E-mail: bge@us.ibm.com, E-mail: kaufmanrallis@icloud.com, E-mail: frederic.bournaud@gmail.com, E-mail: stephanie.juneau@cea.fr, E-mail: elmegreen@vassar.edu, E-mail: struck@iastate.edu, E-mail: e.brinks@herts.ac.uk [University of Hertfordshire, Centre for Astrophysics Research, College Lane, Hatfield AL10 9AB (United Kingdom)

    2016-05-20

    CO observations of the interacting galaxies IC 2163 and NGC 2207 are combined with HI, H α , and 24 μ m observations to study the star formation rate (SFR) surface density as a function of the gas surface density. More than half of the high-SFR regions are HI dominated. When compared to other galaxies, these HI-dominated regions have excess SFRs relative to their molecular gas surface densities but normal SFRs relative to their total gas surface densities. The HI-dominated regions are mostly located in the outer part of NGC 2207 where the HI velocity dispersion is high, 40–50 km s{sup −1}. We suggest that the star-forming clouds in these regions have envelopes at lower densities than normal, making them predominantly atomic, and cores at higher densities than normal because of the high turbulent Mach numbers. This is consistent with theoretical predictions of a flattening in the density probability distribution function for compressive, high Mach number turbulence.

  20. Numerical simulation of coupled binary gas-solid interaction during carbon dioxide sequestration in a coal bed

    International Nuclear Information System (INIS)

    Feng Qiyan; Zhou Lai; Chen Zhongwei; Liu Jishan

    2008-01-01

    Complicated coupled binary gas-solid interaction arises during carbon dioxide sequestration in a coal seam, which combines effects of CO 2 -CH 4 counter adsorption, CO 2 -CH 4 counter diffusion, binary gas flow and coal bed deformation. Through solving a set of coupled field governing equations, a novel full coupled Finite Element (FE) model was established by COMSOL Multiphysics. The new FE model was applied to the quantification of coal porous pressure, coal permeability, gas composition fraction and coal displacement when CO 2 was injected in a CH 4 saturated coal bed. Numerical results demonstrate that CH 4 is swept by the injected CO 2 accompanied by coal volumetric deformation. Compared to the single CH 4 in situ, CH 4 -CO 2 counter-diffusion induced coal swelling can make more compensation for coal shrinkage due to effective stress. Competing influences between the effective stress and the CH 4 -CO 2 counter-diffusion induced volume change governs the evolution of porous pressure and permeability, which is controlled by the porous pressure correspondingly. This achievement extends our ability to understand the coupled multi-physics of the CO 2 geological sequestration and CO 2 enhanced coal bed methane recovery under field conditions. (authors)

  1. HIGH STAR FORMATION RATES IN TURBULENT ATOMIC-DOMINATED GAS IN THE INTERACTING GALAXIES IC 2163 AND NGC 2207

    International Nuclear Information System (INIS)

    Elmegreen, Bruce G.; Kaufman, Michele; Bournaud, Frédéric; Juneau, Stéphanie; Elmegreen, Debra Meloy; Struck, Curtis; Brinks, Elias

    2016-01-01

    CO observations of the interacting galaxies IC 2163 and NGC 2207 are combined with HI, H α , and 24 μ m observations to study the star formation rate (SFR) surface density as a function of the gas surface density. More than half of the high-SFR regions are HI dominated. When compared to other galaxies, these HI-dominated regions have excess SFRs relative to their molecular gas surface densities but normal SFRs relative to their total gas surface densities. The HI-dominated regions are mostly located in the outer part of NGC 2207 where the HI velocity dispersion is high, 40–50 km s −1 . We suggest that the star-forming clouds in these regions have envelopes at lower densities than normal, making them predominantly atomic, and cores at higher densities than normal because of the high turbulent Mach numbers. This is consistent with theoretical predictions of a flattening in the density probability distribution function for compressive, high Mach number turbulence.

  2. Dzyaloshinskii-Moriya-type interaction and Lifshitz invariant in Rashba 2D electron gas systems

    Science.gov (United States)

    Pyatakov, Alexander P.; Zvezdin, Anatoly K.

    2014-09-01

    The origin of chiral magnetic structures in ultrathin films of magnetic metals is analyzed. It is shown that the Lifshitz-type invariant term in the macroscopic thermodynamic potential can be derived from the spin-orbit Rashba Hamiltonian in two-dimensional electron gas (2DEG). The former is the prerequisite for the existence of spin cycloids, skyrmions and other chiral phenomena observed in thin films. The estimation of the period of spin cycloid gives the value of an order of 10 nm typical for structures reported in the literature.

  3. Observational Data Analysis and Numerical Model Assessment of the Seafloor Interaction and Mobility of Sand and Weathered Oil Agglomerates (Surface Residual Balls) in the Surf Zone

    Science.gov (United States)

    Dalyander, S.; Long, J.; Plant, N. G.; Penko, A.; Calantoni, J.; Thompson, D.; Mclaughlin, M. K.

    2014-12-01

    When weathered oil is transported ashore, such as during the Deepwater Horizon oil spill, it can mix with suspended sediment in the surf zone to create heavier-than-water sand and oil agglomerates in the form of mats several centimeters thick and tens of meters long. Broken off pieces of these mats and smaller agglomerates formed in situ (called Surface Residual Balls, SRBs) can cause beach re-oiling months to years after the initial spill. The physical dynamics of these SRBs in the nearshore, where they are larger (cm-scale) and less dense than natural sediment, are poorly understood. In the current study, SRB mobility and seafloor interaction is investigated through a combination of laboratory and field experiments with pseudo-SRBs developed to be physically stable proxies for genuine agglomerates. Formulations for mobility prediction based on comparing estimated shear stress to the critical Shields and modified Shields parameters developed for mixed sediment beds are assessed against observations. Processes such as burial, exhumation, and interaction with bedforms (e.g., migrating ripples) are also explored. The observations suggest that incipient motion estimates based on a modified Shields parameter have some skill in predicting SRB movement, but that other forcing mechanisms such as pressure gradients may be important under some conditions. Additionally, burial and exhumation due to the relatively high mobility of sand grains are confirmed as key processes controlling SRB dynamics in the surf zone. This work has broad implications for understanding surf zone sediment transport at the short timescale associated with mobilizing sand grains and SRBs as well as at the longer timescales associated with net transport patterns, sediment budgets, and bed elevation changes.

  4. Hydrophobic interaction between contiguous residues in the S6 transmembrane segment acts as a stimuli integration node in the BK channel

    Science.gov (United States)

    Carrasquel-Ursulaez, Willy; Contreras, Gustavo F.; Sepúlveda, Romina V.; Aguayo, Daniel; González-Nilo, Fernando

    2015-01-01

    Large-conductance Ca2+- and voltage-activated K+ channel (BK) open probability is enhanced by depolarization, increasing Ca2+ concentration, or both. These stimuli activate modular voltage and Ca2+ sensors that are allosterically coupled to channel gating. Here, we report a point mutation of a phenylalanine (F380A) in the S6 transmembrane helix that, in the absence of internal Ca2+, profoundly hinders channel opening while showing only minor effects on the voltage sensor active–resting equilibrium. Interpretation of these results using an allosteric model suggests that the F380A mutation greatly increases the free energy difference between open and closed states and uncouples Ca2+ binding from voltage sensor activation and voltage sensor activation from channel opening. However, the presence of a bulky and more hydrophobic amino acid in the F380 position (F380W) increases the intrinsic open–closed equilibrium, weakening the coupling between both sensors with the pore domain. Based on these functional experiments and molecular dynamics simulations, we propose that F380 interacts with another S6 hydrophobic residue (L377) in contiguous subunits. This pair forms a hydrophobic ring important in determining the open–closed equilibrium and, like an integration node, participates in the communication between sensors and between the sensors and pore. Moreover, because of its effects on open probabilities, the F380A mutant can be used for detailed voltage sensor experiments in the presence of permeant cations. PMID:25548136

  5. NH3/O2 mixed gas plasmas alter the interaction of blood components with stainless steel.

    Science.gov (United States)

    Chen, Meng; Zamora, Paul O; Peña, Louis; Som, Prantika; Osaki, Shigemasa

    2003-12-01

    Stainless steel treated with a mixed gas plasma of NH(3) plus O(2) had chemical and biologic characteristics distinct from untreated stainless steel or stainless steel treated with NH(3) or O(2) plasmas used separately. NH(3)/O(2) plasmas deposited nitrogen as both -CN (organic) and -NO (nitrate, nitrite)--materials not found on untreated stainless steel--and the contact angle changed from 44 degrees to 23 degrees. Treatment of stainless steel (and titanium) resulted in surfaces with enhanced resistance to platelet and leukocyte attachment. A gas plasma of N(2)O/O(2) also was found to reduce platelet and leukocyte attachment, suggesting that these properties may be common to surfaces coated with oxynitrites (nitrides). Upon subcutaneous implantation, no inflammation, hemolysis, or untoward thrombosis was noted in the tissue surrounding the wafers treated with the NH(3)/O(2) plasmas, although the cellular density was considerably reduced by 2 weeks after implant. Collectively, the results suggest that NH(3)/O(2) plasmas impart a unique character to stainless steel that may be useful in the construction of medical devices. Copyright 2003 Wiley Periodicals, Inc. J Biomed Mater Res 67A: 994-1000, 2003

  6. Accelerated expansion of a universe containing a self-interacting Bose-Einstein gas

    Energy Technology Data Exchange (ETDEWEB)

    Izquierdo, German; Besprosvany, Jaime, E-mail: german.izquierdo@gmail.co, E-mail: bespro@fisica.unam.m [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Circuito de la Investigacion CientIfica S/N, Ciudad Universitaria, CP 04510, Mexico, Distrito Federal (Mexico)

    2010-03-21

    Acceleration of the universe is obtained from a model of non-relativistic particles with a short-range attractive interaction, at low enough temperature to produce a Bose-Einstein condensate. Conditions are derived for negative-pressure behavior. In particular, we show that a phantom-accelerated regime at the beginning of the universe solves the horizon problem, consistently with nucleosynthesis.

  7. Residue processing

    Energy Technology Data Exchange (ETDEWEB)

    Gieg, W.; Rank, V.

    1942-10-15

    In the first stage of coal hydrogenation, the liquid phase, light and heavy oils were produced; the latter containing the nonliquefied parts of the coal, the coal ash, and the catalyst substances. It was the problem of residue processing to extract from these so-called let-down oils that which could be used as pasting oils for the coal. The object was to obtain a maximum oil extraction and a complete removal of the solids, because of the latter were returned to the process they would needlessly burden the reaction space. Separation of solids in residue processing could be accomplished by filtration, centrifugation, extraction, distillation, or low-temperature carbonization (L.T.C.). Filtration or centrifugation was most suitable since a maximum oil yield could be expected from it, since only a small portion of the let-down oil contained in the filtration or centrifugation residue had to be thermally treated. The most satisfactory centrifuge at this time was the Laval, which delivered liquid centrifuge residue and centrifuge oil continuously. By comparison, the semi-continuous centrifuges delivered plastic residues which were difficult to handle. Various apparatus such as the spiral screw kiln and the ball kiln were used for low-temperature carbonization of centrifuge residues. Both were based on the idea of carbonization in thin layers. Efforts were also being made to produce electrode carbon and briquette binder as by-products of the liquid coal phase.

  8. Performance evaluation of Maxwell and Cercignani-Lampis gas-wall interaction models in the modeling of thermally driven rarefied gas transport

    KAUST Repository

    Liang, Tengfei

    2013-07-16

    A systematic study on the performance of two empirical gas-wall interaction models, the Maxwell model and the Cercignani-Lampis (CL) model, in the entire Knudsen range is conducted. The models are evaluated by examining the accuracy of key macroscopic quantities such as temperature, density, and pressure, in three benchmark thermal problems, namely the Fourier thermal problem, the Knudsen force problem, and the thermal transpiration problem. The reference solutions are obtained from a validated hybrid DSMC-MD algorithm developed in-house. It has been found that while both models predict temperature and density reasonably well in the Fourier thermal problem, the pressure profile obtained from Maxwell model exhibits a trend that opposes that from the reference solution. As a consequence, the Maxwell model is unable to predict the orientation change of the Knudsen force acting on a cold cylinder embedded in a hot cylindrical enclosure at a certain Knudsen number. In the simulation of the thermal transpiration coefficient, although all three models overestimate the coefficient, the coefficient obtained from CL model is the closest to the reference solution. The Maxwell model performs the worst. The cause of the overestimated coefficient is investigated and its link to the overly constrained correlation between the tangential momentum accommodation coefficient and the tangential energy accommodation coefficient inherent in the models is pointed out. Directions for further improvement of models are suggested.

  9. Gas phase analysis of CO interactions with solid surfaces at high temperatures

    International Nuclear Information System (INIS)

    Anghel, Clara; Hoernlund, Erik; Hultquist, Gunnar; Limbaeck, Magnus

    2004-01-01

    An in situ method including mass spectrometry and labeled gases is presented and used to gain information on adsorption of molecules at high temperatures (>300 deg. C). Isotopic exchange rate in H 2 upon exposure to an oxidized zicaloy-2 sample and exchange rate in CO upon exposure to various materials have been measured. From these measurements, molecular dissociation rates in respective system have been calculated. The influence of CO and N 2 on the uptake rate of H 2 in zirconium and oxidized zicaloy-2 is discussed in terms of tendency for adsorption at high temperatures. In the case of oxidized Cr exposed to CO gas with 12 C, 13 C, 16 O and 18 O, the influence of H 2 O is investigated with respect to dissociation of CO molecules. The presented data supports a view of different tendencies for molecular adsorption of H 2 O, CO, N 2 , and H 2 molecules on surfaces at high temperatures

  10. Analysis of class 1 residual solvents in pharmaceuticals using headspace-programmed temperature vaporization-fast gas chromatography-mass spectrometry.

    Science.gov (United States)

    Pérez Pavón, José Luis; Del Nogal Sánchez, Miguel; Fernández Laespada, M A Esther; García Pinto, Carmelo; Moreno Cordero, Bernardo

    2007-02-02

    A sensitive method is presented for the fast screening and determination of residual class 1 solvents (1,1-dichloroethene, 1,2-dichloroethane, 1,1,1-trichloroethane, carbon tetrachloride and benzene) in pharmaceutical products. The applicability of a headspace (HS) autosampler in combination with GC equipped with a programmed temperature vaporizer (PTV) and a MS detector is explored. Different injection techniques were compared. The benefits of using solvent vent injection instead of split or splitless-hot injection for the measurement of volatile compounds are shown: better peak shapes, better signal-to-noise ratios, and hence better detection limits. The proposed method is extremely sensitive. The limits of detection ranged from 4.9 ppt (benzene) to 7.9 ppt (1,2-dichloroethane) and precision (measured as the relative standard deviation) was equal to or lower than 12% in all cases. The method was applied to the determination of residual solvents in nine different pharmaceutical products. The analytical performance of the method shows that it is appropriate for the determination of residual class 1 solvents and has much lower detection limits than the concentration limits proposed by the International Conference on Harmonization (ICH) of Technical Requirements for the Registration of Pharmaceuticals for Human Use. The proposed method achieves a clear improvement in sensitivity with respect to conventional headspace methods due to the use of the PTV.

  11. A rapid, solid phase extraction (SPE technique for the extraction and gas chromatographic determination lindane pesticide residue in tissue and milk

    Directory of Open Access Journals (Sweden)

    Yuningsih

    2006-03-01

    Full Text Available Organochlorine pesticide contamination in feed can cause residue in animal product (tissue and milk, so its become a problem in food safety. Solid phase extraction (SPE has been carried out for determination organochlorine pesticide residues in food animal production. The technique was rapid, not costly and produce limited amount of hazardous-waste. Samples were homogenized with acetonitrile trough cartridge C18, eluted in fluorocyl column with 2% ether-petroleum or acetonitrile fortissue and milk samples respectively. The recoveries of tissue sample by addition lindane standard solution: 0.50 and 1.00 μg are 85.10 and 103.10% respectively, while that of milk with the addition of 0.50, 1.00 and 1.50 μg are 83.80, 88.69 and 91.24% respectively. Three replicates were carried out for every sample. According of validation criteria of FAO/IAEA the recovery for analysis of pesticide residues was 70-110%. Therefore, the method is applicable.

  12. Rapid analytical method for the determination of pesticide residues in sunflower seeds based on focused microwave-assisted Soxhlet extraction prior to gas chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Prados-Rosales, R C; Luque García, J L; Luque de Castro, M D

    2003-04-18

    A rapid analytical method for determination of organochlorine pesticide residues in sunflower seeds based on focused microwave-assisted Soxhlet extraction has been developed. The main factors affecting the extraction efficiency--namely microwave power, irradiation time, volume of extractant and number of cycles--were optimized by a two-level factorial fractional design. After extraction, a liquid-liquid extraction and a clean-up step including the use of Florisil macrocolumns were required prior to injection of the extracts into the chromatograph in order to isolate the pesticide residues from the lipid fraction of the original extract. The MS-MS ion preparation mode was selected due to the high sensitivity and selectivity it provides. Seed samples were used collected near a crop subjected to aerial pesticide application. Residues of hexachlorocyclohexane isomers and endosulfan were found in the seeds although they were not subjected to pesticide application, thus showing the spray-drift contamination. The validation of the proposed approach was carried out by comparison with the ISO 659-1988 reference extraction method obtaining similar, or even better efficiencies by the proposed approach.

  13. Cooperative Excitation and Many-Body Interactions in a Cold Rydberg Gas

    DEFF Research Database (Denmark)

    Viteau, Matthieu; Huillery, Paul; Bason, Mark George

    2012-01-01

    of the dipole blockade is the suppression of fluctuations in the counting statistics of Rydberg excitations, of which some evidence has been found in previous experiments. Here we present experimental results on the dynamics and the counting statistics of Rydberg excitations of ultracold rubidium atoms both......The dipole blockade of Rydberg excitations is a hallmark of the strong interactions between atoms in these high-lying quantum states [ M. Saffman, T. G. Walker and K. Mølmer Rev. Mod. Phys. 82 2313 (2010); D. Comparat and P. Pillet J. Opt. Soc. Am. B 27 A208 (2010)]. One of the consequences...... on and off resonance, which exhibit sub- and super-Poissonian counting statistics, respectively. We compare our results with numerical simulations using a novel theoretical model based on Dicke states of Rydberg atoms including dipole-dipole interactions, finding good agreement between experiment and theory....

  14. Structure-based network analysis of activation mechanisms in the ErbB family of receptor tyrosine kinases: the regulatory spine residues are global mediators of structural stability and allosteric interactions.

    Directory of Open Access Journals (Sweden)

    Kevin A James

    Full Text Available The ErbB protein tyrosine kinases are among the most important cell signaling families and mutation-induced modulation of their activity is associated with diverse functions in biological networks and human disease. We have combined molecular dynamics simulations of the ErbB kinases with the protein structure network modeling to characterize the reorganization of the residue interaction networks during conformational equilibrium changes in the normal and oncogenic forms. Structural stability and network analyses have identified local communities integrated around high centrality sites that correspond to the regulatory spine residues. This analysis has provided a quantitative insight to the mechanism of mutation-induced "superacceptor" activity in oncogenic EGFR dimers. We have found that kinase activation may be determined by allosteric interactions between modules of structurally stable residues that synchronize the dynamics in the nucleotide binding site and the αC-helix with the collective motions of the integrating αF-helix and the substrate binding site. The results of this study have pointed to a central role of the conserved His-Arg-Asp (HRD motif in the catalytic loop and the Asp-Phe-Gly (DFG motif as key mediators of structural stability and allosteric communications in the ErbB kinases. We have determined that residues that are indispensable for kinase regulation and catalysis often corresponded to the high centrality nodes within the protein structure network and could be distinguished by their unique network signatures. The optimal communication pathways are also controlled by these nodes and may ensure efficient allosteric signaling in the functional kinase state. Structure-based network analysis has quantified subtle effects of ATP binding on conformational dynamics and stability of the EGFR structures. Consistent with the NMR studies, we have found that nucleotide-induced modulation of the residue interaction networks is not

  15. Final Report - Composite Fermion Approach to Strongly Interacting Quasi Two Dimensional Electron Gas Systems

    Energy Technology Data Exchange (ETDEWEB)

    Quinn, John

    2009-11-30

    Work related to this project introduced the idea of an effective monopole strength Q* that acted as the effective angular momentum of the lowest shell of composite Fermions (CF). This allowed us to predict the angular momentum of the lowest band of energy states for any value of the applied magnetic field simply by determining N{sub QP} the number of quasielectrons (QE) or quasiholes (QH) in a partially filled CF shell and adding angular momenta of the N{sub QP} Fermions excitations. The approach reported treated the filled CF level as a vacuum state which could support QE and QH excitations. Numerical diagonalization of small systems allowed us to determine the angular momenta, the energy, and the pair interaction energies of these elementary excitations. The spectra of low energy states could then be evaluated in a Fermi liquid-like picture, treating the much smaller number of quasiparticles and their interactions instead of the larger system of N electrons with Coulomb interactions.

  16. Electron-positron interaction in light elements represented by atoms embedded in an electron gas

    Energy Technology Data Exchange (ETDEWEB)

    Boronski, E. [W. Trzebiatowski Institute for Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 WrocIaw 2 (Poland)]. E-mail: boronski@int.pan.wroc.pl; Stachowiak, H. [W. Trzebiatowski Institute for Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 WrocIaw 2 (Poland)

    2005-09-01

    Mijnarends et al. (J. Phys. Condens. Matter 10 (1998) 10383) contested the best existing calculations of positron annihilation rates in jellium and crystal lattices, pointing in this way at deficiencies of existing theories of electron-positron interaction in these materials. In the present work, the local enhancement factors due to e{sup +}-e{sup -} interaction in Li, Be, B, C, N and O are computed in a consequent many-body approach for core and as concerns lithium also for conduction electrons and compared to the results of existing approximations to this problem which avoid direct many-body calculations in metals, i.e., the local density, generalized gradient and weighted density approximations, as well as to experimental data. Conclusions about positron lifetime and e{sup +}-e{sup -} correlation energy are also presented. They support the results of Mijnarends et al. concerning applicability of the LDA approximation to e{sup +}-e{sup -} interaction and validity of the Boronski-Nieminen formula for the correlation function.

  17. van der Waals Interactions and Hadron Resonance Gas: Role of resonance widths modeling on conserved charges fluctuations

    Science.gov (United States)

    Vovchenko, Volodymyr; Alba, Paolo; Gorenstein, Mark I.; Stoecker, Horst

    2018-02-01

    The quantum van der Waals (QvdW) extension of the ideal hadron resonance gas (HRG) model which includes the attractive and repulsive interactions between baryons - the QvdW-HRG model - is applied to study the behavior of the baryon number related susceptibilities in the crossover temperature region. Inclusion of the QvdW interactions leads to a qualitatively different behavior of susceptibilities, in many cases resembling lattice QCD simulations. It is shown that for some observables, in particular for χBQ11/χB2, effects of the QvdW interactions essentially cancel out. It is found that the inclusion of the finite resonance widths leads to an improved description of χB2, but it also leads to a worse description of χBQ11/χB2, as compared to the lattice data. On the other hand, inclusion of the extra, unconfirmed baryons into the hadron list leads to a simultaneous improvement in the description of both observables.

  18. [Interactions of straw, nitrogen fertilizer and bacterivorous nematodes on soil labile carbon and nitrogen and greenhouse gas emissions].

    Science.gov (United States)

    Zhang, Teng-Hao; Wang, Nan; Liu, Man-Qiang; Li, Fang-Hui; Zhu, Kang-Li; Li, Hui-Xin; Hu, Feng

    2014-11-01

    A 3 x 2 factorial design of microcosm experiment was conducted to investigate the interactive effects of straw, nitrogen fertilizer and bacterivorous nematodes on soil microbial biomass carbon (C(mic)) and nitrogen (N(mic)), dissolved organic carbon (DOC) and nitrogen (DON), mineral nitrogen (NH(4+)-N and NO(3-)-N), and greenhouse gas (CO2, N2O and CH4) emissions. Results showed that straw amendment remarkably increased the numbers of bacterivorous nematodes and the contents of Cmic and Nmic, but Cmic and Nmic decreased with the increasing dose of nitrogen fertilization. The effects of bacterivorous nematodes strongly depended on either straw or nitrogen fertilization. The interactions of straw, nitrogen fertilization and bacterivorous nematodes on soil DOC, DON and mineral nitrogen were strong. Straw and nitrogen fertilization increased DOC and mineral nitrogen contents, but their influences on DON depended on the bacterivorous nematodes. The DOC and mineral nitrogen were negatively and positively influenced by the bacterivorous nematodes, re- spectively. Straw significantly promoted CO2 and N2O emissions but inhibited CH4 emission, while interactions between nematodes and nitrogen fertilization on emissions of greenhouse gases were obvious. In the presence of straw, nematodes increased cumulative CO2 emissions with low nitrogen fertilization, but decreased CO2 and N2O emissions with high nitrogen fertilization on the 56th day after incubation. In summary, mechanical understanding the soil ecological process would inevitably needs to consider the roles of soil microfauna.

  19. Management of NORM Residues

    International Nuclear Information System (INIS)

    2013-06-01

    The IAEA attaches great importance to the dissemination of information that can assist Member States in the development, implementation, maintenance and continuous improvement of systems, programmes and activities that support the nuclear fuel cycle and nuclear applications, and that address the legacy of past practices and accidents. However, radioactive residues are found not only in nuclear fuel cycle activities, but also in a range of other industrial activities, including: - Mining and milling of metalliferous and non-metallic ores; - Production of non-nuclear fuels, including coal, oil and gas; - Extraction and purification of water (e.g. in the generation of geothermal energy, as drinking and industrial process water; in paper and pulp manufacturing processes); - Production of industrial minerals, including phosphate, clay and building materials; - Use of radionuclides, such as thorium, for properties other than their radioactivity. Naturally occurring radioactive material (NORM) may lead to exposures at some stage of these processes and in the use or reuse of products, residues or wastes. Several IAEA publications address NORM issues with a special focus on some of the more relevant industrial operations. This publication attempts to provide guidance on managing residues arising from different NORM type industries, and on pertinent residue management strategies and technologies, to help Member States gain perspectives on the management of NORM residues

  20. Residue-Ligand Interaction Energy (ReLIE on a Receptor-Dependent 3D-QSAR Analysis of S- and NH-DABOs as Non-Nucleoside Reverse Transcriptase Inhibitors

    Directory of Open Access Journals (Sweden)

    Monique Araújo de Brito

    2012-06-01

    Full Text Available A series of 74 dihydroalkoxybenzyloxopyrimidines (DABOs, a class of highly potent non-nucleoside reverse transcriptase inhibitors (NNRTIs, was retrieved from the literature and studied by receptor-dependent (RD three-dimensional quantitative structure-activity relationship (3D-QSAR analysis to derive RD-3D-QSAR models. The descriptors in this new method are the steric and electrostatic interaction energies of the protein-ligand complexes (per residue simulated by molecular dynamics, an approach named Residue-Ligand Interaction Energy (ReLIE. This study was performed using a training set of 59 compounds and the MKC-442/RT complex structure as reference. The ReLIE-3D-QSAR models were constructed and evaluated by genetic algorithm (GA and partial least squares (PLS. In the best equations, at least one term is related to one of the amino acid residues of the p51 subunit: Asn136, Asn137, Glu138, and Thr139. This fact implies the importance of interchain interaction (p66-p51 in the equations that best describe the structure-activity relationship for this class of compounds. The best equation shows q2 = 0.660, SEcv = 0.500, r2 = 0.930, and SEE = 0.226. The external predictive ability of this best model was evaluated using a test set of 15 compounds. In order to design more potent DABO analogues as anti-HIV/AIDS agents, substituents capable of interactions with residues like Ile94, Lys101, Tyr181, and Tyr188 should be selected. Also, given the importance of the conserved Asn136, this residue could become an attractive target for the design of novel NNRTIs with improved potency and increased ability to avoid the development of drug-resistant viruses.

  1. [Transparent evolution of the energy/matter interactions on earth: from gas whirlwind to technogenic civilization].

    Science.gov (United States)

    Pechurkin, N S; Shuvaev, A N

    2015-01-01

    The paper presents the idea of transparent evolution through the long-term reaction of the planet Earth on the external flow of radiant energy from the Sun. Due to limitations of matter on Earth, as well as on any other planet, the continuous pumping flow of radiant energy was shown to lead to cyclization and transport of substance on emerging gradients. The evolution of energy-matter interaction follows the path of capturing and transferring more energy by the fewer matter, i.e., the path of growth of the amount of energy used by each unit mass. For this indicator, the least effective mass transfer is a simple mass transfer as vortices of gases, in the gradients of temperature and pressure, which occurred on the primary surface of the planet. A long-term natural selection related to the accumulation of water on the planet has played a special role in developing the interaction of energy and matter. Phase transformations (ice, water, vapor) and mechanical transfers are the most common energy-matter processes. Based on water cycles, cyclic transports and transformations, chemical transformation of substances became possible developing over time into a biological transformation. This kind of the interaction of energy and matter is most efficient. In particular, during photosynthesis the energy of our star "is captured and utilized" in the most active part of the spectrum of its radiation. In the process of biological evolution of heterotrophs, a rise (by a factor of hundreds) in the coefficient that characterizes the intensity of energy exchange from protozoa to mammals is most illustratory. The development and the current dominance of humans as the most energy-using active species in capturing the energy and meaningful organization of its new flows especially on the basis of organic debris of former biospheres is admirable, but quite natural from the energy positions. In the course of technological evolution of humankind, the measure of the intensity of energy for

  2. Studies of high-current relativistic electron beam interaction with gas and plasma in Novosibirsk

    Science.gov (United States)

    Sinitsky, S. L.; Arzhannikov, A. V.; Burdakov, A. V.

    2016-03-01

    This paper presents an overview of the studies on the interaction of a high-power relativistic electron beam (REB) with dense plasma confined in a long open magnetic trap. The main goal of this research is to achieve plasma parameters close to those required for thermonuclear fusion burning. The experimental studies were carried over the course of four decades on various devices: INAR, GOL, INAR-2, GOL-M, and GOL-3 (Budker Institute of Nuclear Physics) for a wide range of beam and plasma parameters.

  3. Studies of high-current relativistic electron beam interaction with gas and plasma in Novosibirsk

    International Nuclear Information System (INIS)

    Sinitsky, S. L.; Arzhannikov, A. V.; Burdakov, A. V.

    2016-01-01

    This paper presents an overview of the studies on the interaction of a high-power relativistic electron beam (REB) with dense plasma confined in a long open magnetic trap. The main goal of this research is to achieve plasma parameters close to those required for thermonuclear fusion burning. The experimental studies were carried over the course of four decades on various devices: INAR, GOL, INAR-2, GOL-M, and GOL-3 (Budker Institute of Nuclear Physics) for a wide range of beam and plasma parameters.

  4. Studies of high-current relativistic electron beam interaction with gas and plasma in Novosibirsk

    Energy Technology Data Exchange (ETDEWEB)

    Sinitsky, S. L., E-mail: s.l.sinitsky@inp.nsk.su; Arzhannikov, A. V. [Budker Institute of Nuclear Physics, 11 Acad. Lavrentyev Ave, Novosibirsk, 630090 (Russian Federation); Novosibirsk State University, 2 Pirogova St., Novosibirsk, 630090 (Russian Federation); Burdakov, A. V. [Budker Institute of Nuclear Physics, 11 Acad. Lavrentyev Ave, Novosibirsk, 630090 (Russian Federation); Novosibirsk State Technical University, 20 Prospekt K. Marksa, Novosibirsk, 630073 (Russian Federation)

    2016-03-25

    This paper presents an overview of the studies on the interaction of a high-power relativistic electron beam (REB) with dense plasma confined in a long open magnetic trap. The main goal of this research is to achieve plasma parameters close to those required for thermonuclear fusion burning. The experimental studies were carried over the course of four decades on various devices: INAR, GOL, INAR-2, GOL-M, and GOL-3 (Budker Institute of Nuclear Physics) for a wide range of beam and plasma parameters.

  5. Design of a compressed air modulator to be used in comprehensive multidimensional gas chromatography and its application in the determination of pesticide residues in grapes

    NARCIS (Netherlands)

    Pizzutti, I.R.; Vreuls, J.J.; Kok, A; Roehrs, R.; Martel, S.; Friggi, C.A.; Zanella, R.

    2009-01-01

    In this study, a new modulator that is simple, robust and presents low operation costs, was developed. This modulator uses compressed air to cool two small portions in the first centimeters of the second chromatographic column of a comprehensive multidimensional gas chromatography (GC × GC) system.

  6. Numerical Simulations of Turbulent Molecular Clouds Regulated by Radiation Feedback Forces. II. Radiation-Gas Interactions and Outflows

    Science.gov (United States)

    Raskutti, Sudhir; Ostriker, Eve C.; Skinner, M. Aaron

    2017-12-01

    Momentum deposition by radiation pressure from young, massive stars may help to destroy molecular clouds and unbind stellar clusters by driving large-scale outflows. We extend our previous numerical radiation hydrodynamic study of turbulent star-forming clouds to analyze the detailed interaction between non-ionizing UV radiation and the cloud material. Our simulations trace the evolution of gas and star particles through self-gravitating collapse, star formation, and cloud destruction via radiation-driven outflows. These models are idealized in that we include only radiation feedback and adopt an isothermal equation of state. Turbulence creates a structure of dense filaments and large holes through which radiation escapes, such that only ˜50% of the radiation is (cumulatively) absorbed by the end of star formation. The surface density distribution of gas by mass as seen by the central cluster is roughly lognormal with {σ }{ln{{Σ }}}=1.3{--}1.7, similar to the externally projected surface density distribution. This allows low surface density regions to be driven outwards to nearly 10 times their initial escape speed {v}{esc}. Although the velocity distribution of outflows is broadened by the lognormal surface density distribution, the overall efficiency of momentum injection to the gas cloud is reduced because much of the radiation escapes. The mean outflow velocity is approximately twice the escape speed from the initial cloud radius. Our results are also informative for understanding galactic-scale wind driving by radiation, in particular, the relationship between velocity and surface density for individual outflow structures and the resulting velocity and mass distributions arising from turbulent sources.

  7. Anisotropic Friedel oscillations in a two-dimensional electron gas with a Rashba-Dresselhaus spin-orbit interaction

    Science.gov (United States)

    Kozlov, I. V.; Kolesnichenko, Yu. A.

    2017-07-01

    We present a theoretical study of the spatial distribution of the local density of states (LDOS) and the local magnetization density (LMD) in the vicinity of a magnetic point-defect in a degenerate two-dimensional electron gas with a mixed Rashba-Dresselhaus spin-orbit coupling interaction (SOI). The dependence of the Friedel oscillations, which arise under these conditions, on the ratio of the SOI constants is investigated. We obtain asymptotic expressions for the oscillatory parts of the LDOS and the LMD, that are accurate for large distances from the defect. It is shown, that the Friedel oscillations are significantly anisotropic and contain several harmonics for certain ratios of the SOI constants. Period of the oscillations for directions along the symmetry axes of the Fermi contours are determined. Finally, we introduce a method for determining the values of the two SOI constants by measuring the period of the Friedel oscillations of the LDOS and the LMD for different harmonics.

  8. Spontaneous Separation in Trapped Fermi Gas with p-Wave Interactions: Due to the Mass-Imbalance

    Science.gov (United States)

    Kang, Yanshuang; Sun, Zongli; Kang, Yanmei; Li, Yushan; Tan, Shanshan

    2018-03-01

    Based on density functional theory, the spontaneous separation in the mass-imbalanced Fermi-Fermi mixture is studied. The ground-state energy density functional is constructed with the effective contact interaction, with which the ground-state density profiles of the mixture are calculated under different conditions of mass-imbalance and coupling strength. The influence of mass-imbalance on the separation and the cloud size is analyzed. In addition, the system with both mass- and population-imbalance is also calculated and studied. Despite our rough treatment in the Thomas-Fermi approximation, it is hoped that the results may provide new clues to understand the nature of phase separation of a trapped ultracold gas in both theoretical and experimental researches in the future.

  9. Possible Calcite and Magnesium Perchlorate Interaction in the Mars Phoenix Thermal and Evolved Gas Analyzer (TEGA)

    Science.gov (United States)

    Cannon, K. M.; Sutter, B.; Ming, D. W.; Boynton, W. V.; Quinn, R. C.

    2012-01-01

    The Mars Phoenix Lander's TEGA instrument detected a calcium carbonate phase decomposing at high temperatures (approx.700 C) from the Wicked Witch soil sample [1]. TEGA also detected a lower temperature CO2 release between 400 C and 680 C [1]. Possible explanations given for this lower temperature CO2 release include thermal decomposition of Mg or Fe carbonates, a zeolitictype desorption reaction, or combustion of organic compounds in the soil [2]. The detection of 0.6 wt % soluble perchlorate by the Wet Chemistry Laboratory (WCL) on Phoenix [3] has implications for the possibility of organic molecules in the soil. Ming et al. [4] demonstrated that perchlorates could have oxidized organic compounds to CO2 in TEGA, preventing detection of their characteristic mass fragments. Here, we propose that a perchlorate salt and calcium carbonate present in martian soil reacted to produce the 400 C - 680 C TEGA CO2 release. The parent salts of the perchlorate on Mars are unknown, but geochemical models using WCL data support the possible dominance of Mg-perchlorate salts [5]. Mg(ClO4)2 6H2O is the stable phase at ambient martian conditions [6], and breaks down at lower temperatures than carbonates giving off Cl2 and HCl gas [7,8]. Devlin and Herley [7] report two exotherms at 410-478 C and 473-533 C which correspond to the decomposition of Mg(ClO4)2.

  10. Optimization of the electron beam properties from intense laser pulses interacting with structured gas jets

    Science.gov (United States)

    Swanson, K. K.; Tsai, H.-E.; Barber, S. K.; Lehe, R.; Mao, H.-S.; Steinke, S.; van Tilborg, J.; Nakamura, K.; Geddes, C. G. R.; Schroeder, C. B.; Esarey, E.; Leemans, W. P.

    2017-05-01

    Laser plasma acceleration has been intensely investigated for its ability to produce energetic, ultrashort electron bunches in a compact distance. A high intensity laser pulse propagating through a plasma expels the electrons from the optical axis via the ponderomotive force, leaving behind a column of ions and driving a density wake. The accelerating electric fields present in the wake can reach several orders of magnitude greater than those found in radio-frequency cavities, allowing for compact systems much smaller than those using conventional accelerators. This compact source can provide electrons for various applications including stages for a high energy collider or for production of x-ray pulses from coherent undulator radiation. However, these applications require tunable, stable and high-quality electron beams. We report on a study of controlled injection along a shock-induced density downramp of laser-plasma- accelerated electrons through precision tailoring of the density profile produced from a mm-scale gas jet. Using BELLA Center's TREX Ti:Sapphire laser, the effects of the plasma density profile and the tilt of the shock front on the beam spatial profile, steering, and energy were investigated experimentally. To explain these rela- tionships, we propose simple models which agree well with experimental results. Using this technique, electron beam quality was tailored, allowing for the production of high-quality electron beams with percent-level energy spreads over a range of energies.

  11. How geographic distance and political ideology interact to influence public perception of unconventional oil/natural gas development

    International Nuclear Information System (INIS)

    Clarke, Christopher E.; Bugden, Dylan; Hart, P. Sol; Stedman, Richard C.; Jacquet, Jeffrey B.; Evensen, Darrick T.N.; Boudet, Hilary S.

    2016-01-01

    A growing area of research has addressed public perception of unconventional oil and natural gas development via hydraulic fracturing (“fracking”). We extend this research by examining how geographic proximity to such extraction interacts with political ideology to influence issue support. Regression analysis of data from a fall 2013 national telephone survey of United States residents reveals that as respondents’ geographic distance from areas experiencing significant development increases, political ideology becomes more strongly associated with issue support, with the liberal-partisan divide widening. Our findings support construal level theory's central premise: that people use more abstract considerations (like political ideology) the more geographically removed they are from an issue. We discuss implications for studying public opinion of energy development as well as for risk communication. - Highlights: • Conservatives support unconventional oil and gas development (UOGD) more than liberals. • This divide widened as geographic distance from UOGD areas increased • Construal Level Theory may help explain this finding • We discuss implications for energy policy and risk communication

  12. Climate Change and Tritrophic Interactions: Will Modifications to Greenhouse Gas Emissions Increase the Vulnerability of Herbivorous Insects to Natural Enemies?

    Science.gov (United States)

    Boullis, Antoine; Francis, Frederic; Verheggen, François J

    2015-04-01

    Insects are highly dependent on odor cues released into the environment to locate conspecifics or food sources. This mechanism is particularly important for insect predators that rely on kairomones released by their prey to detect them. In the context of climate change and, more specifically, modifications in the gas composition of the atmosphere, chemical communication-mediating interactions between phytophagous insect pests, their host plants, and their natural enemies is likely to be impacted. Several reports have indicated that modifications to plants caused by elevated carbon dioxide and ozone concentrations might indirectly affect insect herbivores, with community-level modifications to this group potentially having an indirect influence on higher trophic levels. The vulnerability of agricultural insect pests toward their natural enemies under elevated greenhouse gases concentrations has been frequently reported, but conflicting results have been obtained. This literature review shows that the higher levels of carbon dioxide, as predicted for the coming century, do not enhance the abundance or efficiency of natural enemies to locate hosts or prey in most published studies. Increased ozone levels lead to modifications in herbivore-induced volatile organic compounds (VOCs) released by damaged plants, which may impact the attractiveness of these herbivores to the third trophic level. Furthermore, other oxidative gases (such as SO2 and NO2) tend to reduce the abundance of natural enemies. The impact of changes in atmospheric gas emissions on plant-insect and insect-insect chemical communication has been under-documented, despite the significance of these mechanisms in tritrophic interactions. We conclude by suggesting some further prospects on this topic of research yet to be investigated. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  13. Positively charged residues at the five-fold symmetry axis of cell culture-adapted foot-and-mouth disease virus permit novel receptor interactions.

    Science.gov (United States)

    Berryman, Stephen; Clark, Stuart; Kakker, Naresh K; Silk, Rhiannon; Seago, Julian; Wadsworth, Jemma; Chamberlain, Kyle; Knowles, Nick J; Jackson, Terry

    2013-08-01

    Field isolates of foot-and-mouth disease virus (FMDV) have a restricted cell tropism which is limited by the need for certain RGD-dependent integrin receptors. In contrast, cell culture-adapted viruses use heparan sulfate (HS) or other unidentified molecules as receptors to initiate infection. Here, we report several novel findings resulting from cell culture adaptation of FMDV. In cell culture, a virus with the capsid of the A/Turkey/2/2006 field isolate gained the ability to infect CHO and HS-deficient CHO cells as a result of a single glutamine (Q)-to-lysine (K) substitution at VP1-110 (VP1-(Q)110(K)). Using site-directed mutagenesis, the introduction of lysine at this same site also resulted in an acquired ability to infect CHO cells by type O and Asia-1 FMDV. However, this ability appeared to require a second positively charged residue at VP1-109. CHO cells express two RGD-binding integrins (α5β1 and αvβ5) that, although not used by FMDV, have the potential to be used as receptors; however, viruses with the VP1-(Q)110(K) substitution did not use these integrins. In contrast, the VP1-(Q)110(K) substitution appeared to result in enhanced interactions with αvβ6, which allowed a virus with KGE in place of the normal RGD integrin-binding motif to use αvβ6 as a receptor. Thus, our results confirmed the existence of nonintegrin, non-HS receptors for FMDV on CHO cells and revealed a novel, non-RGD-dependent use of αvβ6 as a receptor. The introduction of lysine at VP1-110 may allow for cell culture adaptation of FMDV by design, which may prove useful for vaccine manufacture when cell culture adaptation proves intractable.

  14. Interacting biochemical and diffusive controls on trace gas sources in unsaturated soils

    Science.gov (United States)

    Rubol, S.; Manzoni, S.; Bellin, A.; Porporato, A. M.

    2011-12-01

    Microbes react to environmental conditions on different timescales. When conditions improve (e.g., rewetting, substrate amendment), the residing population exits the dormant state, becomes active and starts synthesizing extra-cellular enzymes. If substrate availability, and hence energy, is sufficient, microbes may start to reproduce and increase the size of their population. These dynamics make it complicated to interpret measured relationships between microbial activity (e.g., respiration, denitrification, N mineralization) and environmental conditions. In particular, the relationship between bacterial activity and soil moisture, which is derived by incubating soil samples at constant soil moisture levels, seems to vary under dynamic hydrological conditions. This may be related to both soil physical properties and the resilience of bacteria to adapt to rapid changes in soil moisture. We present a process-based model that includes both the above effects and test the hypothesis that the ratio of the time scale of biological versus physical factors determines the shape describing the relationship between microbial activity and soil moisture. In particular, we focus on the role of oxygen dynamics, which regulate the prevalence of aerobic versus anaerobic conditions and thus the prevalence of nitrification versus denitrification. We identify and compare the time scale of the biological oxygen consumption with the time scale of physical diffusion. Starting from well-aerated conditions, as bacteria consume O2 in solution, more oxygen dissolves from the atmosphere - depending on gas-filled porosity. If water dynamics or tillage limits re-aeration, this can affect the equilibrium between the aqueous and the gaseous phase and thus alter the time scale of the reactions. This balance between consumption and re-aeration by diffusion ultimately controls the water quality as well the production of trace gases.

  15. Overview of gas-cooled reactor systems, their importance and their interactions

    International Nuclear Information System (INIS)

    Kasten, P.R.; Spiewak, I.; Tobias, M.L.

    1975-01-01

    The economic interactions between fueling, separative work, and capital requirements are illustrated for HTGR, GCFR, HTGR-GT, VHTR, LWRs and LMFBRs. The influence of finite low-cost uranium resources and of extensive LWR application within the next two decades on reactor use is also discussed. Technological developments required for the practical application of HTGRs, GCFRs, HTGR-GT and VHTRs are presented, along with the importance and environmental effects features of these applications. The technical advantages and disadvantages associated with use of the uranium and the thorium fuel cycles in HTGRs are given, including the implications a given fuel cycle has on fuel recycle and mined-fuel requirements. The influence of core design on HTGR fuel and coolant temperatures and on associated performance features are illustrated by considering prismatic and pebble-bed type cores. Finally, several scenarios relative to the development of the HTGR, GCFR, HTGR-GT and VHTR are presented. (auth)

  16. Gas-phase measurements of combustion interaction with materials for radiation-cooled chambers

    Science.gov (United States)

    Barlow, R. S.; Lucht, R. P.; Jassowski, D. M.; Rosenberg, S. D.

    1991-01-01

    Foil samples of Ir and Pt are exposed to combustion products in a controlled premixed environment at atmospheric pressure. Electrical heating of the foil samples is used to control the surface temperature and to elevate it above the radiative equilibrium temperature within the test apparatus. Profiles of temperature and OH concentration in the boundary layer adjacent to the specimen surface are measured by laser-induced fluorescence. Measured OH concentrations are significantly higher than equilibrium concentrations calculated for the known mixture ratio and the measured temperature profiles. This result indicates that superequilibrium concentrations of H-atoms and O-atoms are also present in the boundary layer, due to partial equilibrium of the rapid binary reactions of the H2/O2 chemical kinetic system. These experiments are conducted as part of a research program to investigate fundamental aspects of the interaction of combustion gases with advanced high-temperature materials for radiation-cooled thrusters.

  17. Influence of gas generation on high-temperature melt/concrete interactions

    International Nuclear Information System (INIS)

    Powers, D.A.

    1979-01-01

    Accidents involving fuel melting and eventual contact between the high temperature melt and structural concrete may be hypothesized for both light water thermal reactors and liquid metal cooled breeder reactors. Though these hypothesized accidents have a quite low probability of occurring, it is necessary to investigate the probable natures of the accidents if an adequate assessment of the risks associated with the use of nuclear reactors is to be made. A brief description is given of a program addressing the nature of melt/concrete interactions which has been underway for three years at Sandia Laboratories. Emphasis in this program has been toward the behavior of prototypic melts of molten core materials with concrete representative of that found in existing or proposed reactors. The goals of the experimentation have been to identify phenomena particularly pertinent to questions of reactor safety, and phenomena particularly pertinent to questions of reactor safety, and provide quantitative data suitable for the purposes of risk assessment

  18. Improvement of localised corrosion resistance of AISI 2205 Duplex Stainless Steel joints made by gas metal arc welding under electromagnetic interaction of low intensity

    Energy Technology Data Exchange (ETDEWEB)

    García-Rentería, M.A., E-mail: crazyfim@gmail.com [Instituto de Investigación en Metalurgia y Materiales, Universidad Michoacana de San Nicolás de Hidalgo, A.P. 888, CP 58000, Morelia, Michoacán (Mexico); López-Morelos, V.H., E-mail: vhlopez@umich.mx [Instituto de Investigación en Metalurgia y Materiales, Universidad Michoacana de San Nicolás de Hidalgo, A.P. 888, CP 58000, Morelia, Michoacán (Mexico); García-Hernández, R., E-mail: rgarcia@umich.mx [Instituto de Investigación en Metalurgia y Materiales, Universidad Michoacana de San Nicolás de Hidalgo, A.P. 888, CP 58000, Morelia, Michoacán (Mexico); Dzib-Pérez, L., E-mail: luirdzib@uacam.mx [Centre for Corrosion Research, Autonomous University of Campeche, Av. Agustín Melgar s/n, Col. Buenavista, CP 24039, Campeche, Cam (Mexico); García-Ochoa, E.M., E-mail: emgarcia@uacam.mx [Centre for Corrosion Research, Autonomous University of Campeche, Av. Agustín Melgar s/n, Col. Buenavista, CP 24039, Campeche, Cam (Mexico); González-Sánchez, J., E-mail: jagonzal@uacam.mx [Centre for Corrosion Research, Autonomous University of Campeche, Av. Agustín Melgar s/n, Col. Buenavista, CP 24039, Campeche, Cam (Mexico)

    2014-12-01

    Highlights: • Electromagnetic interaction in welding improved localised corrosion resistance. • Electromagnetic interaction in welding enhanced γ/δ phase balance of DuplexSS. • Welding under Electromagnetic interaction repress formation and growth of detrimental phases. • Welds made with gas protection (2% O{sub 2} + 98% Ar) have better microstructural evolution during welding. - Abstract: The resistance to localised corrosion of AISI 2205 duplex stainless steel plates joined by Gas Metal Arc Welding (GMAW) under the effect of electromagnetic interaction of low intensity (EMILI) was evaluated with sensitive electrochemical methods. Welds were made using two shielding gas mixtures: 98% Ar + 2% O{sub 2} (M1) and 97% Ar + 3% N{sub 2} (M2). Plates were welded under EMILI using the M1 gas with constant welding parameters. The modified microstructural evolution in the high temperature heat affected zone and at the fusion zone induced by application of EMILI during welding is associated with the increase of resistance to localised corrosion of the welded joints. Joints made by GMAW using the shielding gas M2 without the application of magnetic field presented high resistance to general corrosion but high susceptibility to undergo localised attack.

  19. Using landfill gas as the primary fuel for a 200 WTPD thermal dryer[Held jointly with the 4. Canadian organic residuals and biosolids managment conference

    Energy Technology Data Exchange (ETDEWEB)

    Shulmister, D. [Manattee County, Manatee, FL (United States). Wastewater Division; Monroe, A. [McKim and Creed, Cary, NC (United States)

    2007-07-01

    Although there is no evidence of health problems, there is a growing opposition to class B land application of biosolids in many localities in the United States, resulting in less sites available to dispose of class B biosolids. Manatee County, located on the West Coast of Florida, decided to implement thermal drying of its biosolids. This produced a class A pellet that could be used without restriction as a fertilizer or soil amendment. The dryer will be located at the county's southeast water reclamation facility, adjacent to the county's Lena Road landfill. The methane gas from the landfill will be used as the primary fuel for the dryer. This paper presented how Manatee County, Florida decided to meet its long term biosolids handling and disposal needs. The paper provided background information on Manatee County, Florida. It discussed the reasons for the dryer technology selection, location of the dryer, sizing criteria as well as listing the components of the dryer. The paper also discussed dryer procurement. Other topics that were presented included fuel requirements and an analysis of landfill gas. The County expects to save approximately two million dollars per year by selecting landfill gas from its Lena Road landfill as the primary fuel for the dryer. 5 tabs.

  20. Residual risk

    African Journals Online (AJOL)

    ing the residual risk of transmission of HIV by blood transfusion. An epidemiological approach assumed that all HIV infections detected serologically in first-time donors were pre-existing or prevalent infections, and that all infections detected in repeat blood donors were new or incident infections. During 1986 - 1987,0,012%.

  1. Dynamical vanishing of the order parameter in a confined Bardeen-Cooper-Schrieffer Fermi gas after an interaction quench

    Science.gov (United States)

    Hannibal, S.; Kettmann, P.; Croitoru, M. D.; Axt, V. M.; Kuhn, T.

    2018-01-01

    We present a numerical study of the Higgs mode in an ultracold confined Fermi gas after an interaction quench and find a dynamical vanishing of the superfluid order parameter. Our calculations are done within a microscopic density-matrix approach in the Bogoliubov-de Gennes framework which takes the three-dimensional cigar-shaped confinement explicitly into account. In this framework, we study the amplitude mode of the order parameter after interaction quenches starting on the BCS side of the BEC-BCS crossover close to the transition and ending in the BCS regime. We demonstrate the emergence of a dynamically vanishing superfluid order parameter in the spatiotemporal dynamics in a three-dimensional trap. Further, we show that the signal averaged over the whole trap mirrors the spatiotemporal behavior and allows us to systematically study the effects of the system size and aspect ratio on the observed dynamics. Our analysis enables us to connect the confinement-induced modifications of the dynamics to the pairing properties of the system. Finally, we demonstrate that the signature of the Higgs mode is contained in the dynamical signal of the condensate fraction, which, therefore, might provide a new experimental access to the nonadiabatic regime of the Higgs mode.

  2. Gas chromatography and isotope ratio mass spectrometry of Pinot Noir wine volatile compounds (δ13C) and solid residues (δ13C, δ15N) for the reassessment of vineyard water-status.

    Science.gov (United States)

    Spangenberg, Jorge E; Vogiatzaki, Maria; Zufferey, Vivian

    2017-09-29

    This paper describes a novel approach to reassess the water status in vineyards based on compound-specific isotope analysis (CSIA) of wine volatile organic compounds (δ 13 C VOC/VPDB ) and bulk carbon and nitrogen isotopes, and the C/N molar ratios of the wine solid residues (δ 13 C SR/VPDB , δ 15 N SR/Air-N2 ). These analyses link gas chromatography/combustion and elemental analysis to isotope ratio mass spectrometry (GC/C/IRMS, EA/IRMS). Field-grown cultivars of Pinot Noir grapevines were exposed during six growing seasons (2009-2014) to controlled soil water availability, while maintaining identical the other environmental variables and agricultural techniques. Wines were produced from the grapes by the same oenological protocol. This permitted for the assessment of the effects in the biochemistry of wines solely induced by the changes in the plant-soil water status. This mimicked the more recurrent and prolonged periods of soil water deficiency due to climate changes. Water stress in grapevine was assessed by the measurement of the predawn leaf water potential (Ψ pd ) and the stable carbon isotope composition of the berry sugars during harvest (must sugars). For quantitation purposes and the normalization of the measured stable carbon isotope ratios of the VOCs, the wine samples were spiked with three standard compounds with known concentration and δ 13 C VPDB values. VOCs were extracted by liquid-liquid extraction and analyzed by gas chromatography/flame ionization detection (GC/FID), gas chromatography/mass spectrometry (GC/MS), and GC/C/IRMS. δ 13 C values were obtained for eighteen VOCs. The solid residues were obtained by freeze-drying wine aliquots and were analyzed for their C and N content and isotope composition by EA/IRMS. All the isotopic ratios (δ 13 C SR , δ 15 N SR , δ 13 C VOC ) are highly correlated with the Ψ pd values, indicating that the proposed gas chromatography and isotope ratio mass spectrometry approach is a useful tool to

  3. Interacting large-scale magnetic fields and ionized gas in the W50/SS433 system

    Science.gov (United States)

    Farnes, J. S.; Gaensler, B. M.; Purcell, C.; Sun, X. H.; Haverkorn, M.; Lenc, E.; O'Sullivan, S. P.; Akahori, T.

    2017-06-01

    The W50/SS433 system is an unusual Galactic outflow-driven object of debatable origin. We have used the Australia Telescope Compact Array to observe a new 198 pointing mosaic, covering 3° × 2°, and present the highest-sensitivity full-Stokes data of W50 to date using wide-field, wide-band imaging over a 2 GHz bandwidth centred at 2.1 GHz. We also present a complementary Hα mosaic created using the Isaac Newton Telescope Photometric Hα Survey of the Northern Galactic Plane. The magnetic structure of W50 is consistent with the prevailing hypothesis that the nebula is a reanimated shell-like supernova remnant (SNR), which has been re-energized by the jets from SS433. We observe strong depolarization effects that correlate with diffuse Hα emission, likely due to spatially varying Faraday rotation measure (RM) fluctuations of ≥48-61 rad m-2 on scales ≤4.5-6 pc. We also report the discovery of numerous, faint, Hα filaments that are unambiguously associated with the central region of W50. These thin filaments are suggestive of an SNR's shock emission, and almost all have a radio counterpart. Furthermore, an RM-gradient is detected across the central region of W50, which we interpret as a loop magnetic field with a symmetry axis offset by ≈90° to the east-west jet-alignment axis, and implying that the evolutionary processes of both the jets and the SNR must be coupled. A separate RM-gradient is associated with the termination shock in the eastern ear, which we interpret as a ring-like field located where the shock of the jet interacts with the circumstellar medium. Future optical observations will be able to use the new Hα filaments to probe the kinematics of the shell of W50, potentially allowing for a definitive experiment on W50's formation history.

  4. Methodology for the determination of residues of organophosphorous pesticides in milk of domestic consumption by means of gas chromatography and extraction in solid phase

    International Nuclear Information System (INIS)

    Romero Blanco, Eric; Meza Nunez, Humberto; Poveda Calvo, Vanessa

    2005-01-01

    A new method oriented to the detection and quantification of 15 organophosphate pesticide in raw milk samples for national consumption has been developed by using a gas chromatograph equipped with polydimethylsiloxane capillary column and a nitrogen-phosphorus detector (NPD), in combination with the extraction technique in solid phase (SPE) for the sample cleaning process and pesticide extraction. Recovery percentages obtained were close to 100% and the detection limits obtained were lower than 20 μg/L for 13 of the organophosphates analyzed. Overall, the method showed important improvement as compared to conventional liquid/liquid extraction methodologies. (Author) [es

  5. Composition of carbonization residues

    Energy Technology Data Exchange (ETDEWEB)

    Hupfer; Leonhardt

    1943-11-27

    This report compared the composition of samples from Wesseling and Leuna. In each case the sample was a residue from carbonization of the residues from hydrogenation of the brown coal processed at the plant. The composition was given in terms of volatile components, fixed carbon, ash, water, carbon, hydrogen, oxygen, nitrogen, volatile sulfur, and total sulfur. The result of carbonization was given in terms of (ash and) coke, tar, water, gas and losses, and bitumen. The composition of the ash was given in terms of silicon dioxide, ferric oxide, aluminum oxide, calcium oxide, magnesium oxide, potassium and sodium oxides, sulfur trioxide, phosphorus pentoxide, chlorine, and titanium oxide. The most important difference between the properties of the two samples was that the residue from Wesseling only contained 4% oil, whereas that from Leuna had about 26% oil. Taking into account the total amount of residue processed yearly, the report noted that better carbonization at Leuna could save 20,000 metric tons/year of oil. Some other comparisons of data included about 33% volatiles at Leuna vs. about 22% at Wesseling, about 5 1/2% sulfur at Leuna vs. about 6 1/2% at Leuna, but about 57% ash for both. Composition of the ash differed quite a bit between the two. 1 table.

  6. Development and validation of a multi-residue method for the detection of a wide range of hormonal anabolic compounds in hair using gas chromatography-tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Rambaud, Lauriane [LABERCA, Ecole Nationale Veterinaire de Nantes, Route de Gachet, BP50707, 44307 Nantes Cedex 3 (France); Monteau, Fabrice [LABERCA, Ecole Nationale Veterinaire de Nantes, Route de Gachet, BP50707, 44307 Nantes Cedex 3 (France); Deceuninck, Yoann [LABERCA, Ecole Nationale Veterinaire de Nantes, Route de Gachet, BP50707, 44307 Nantes Cedex 3 (France); Bichon, Emmanuelle [LABERCA, Ecole Nationale Veterinaire de Nantes, Route de Gachet, BP50707, 44307 Nantes Cedex 3 (France); Andre, Francois [LABERCA, Ecole Nationale Veterinaire de Nantes, Route de Gachet, BP50707, 44307 Nantes Cedex 3 (France); Le Bizec, Bruno [LABERCA, Ecole Nationale Veterinaire de Nantes, Route de Gachet, BP50707, 44307 Nantes Cedex 3 (France)]. E-mail: lebizec@vet-nantes.fr

    2007-03-14

    The monitoring of anabolic steroid residues in hair is undoubtedly one of the most efficient strategies to demonstrate the long-term administration of these molecules in meat production animals. A multi-residue sample preparation procedure was developed and validated for 28 steroids. A 100 mg hair sample was grinded into powder and extracted at 50 deg. C with methanol. After acidic hydrolysis and extraction with ethyl acetate, phenolsteroids, such as estrogens, resorcyclic acid lactones and stilbens in one hand, are separated from androgens and progestagens in the other hand. Solid phase extractions were performed before applying a specific derivatisation for each compound sub-group. Detection and identification were achieved using gas chromatography-tandem mass spectrometry with acquisition in the selected reaction monitoring mode after electron ionisation. The method was validated according to the 2002/657/EC guideline. Decision limits (CC{alpha}) for main steroids were in the 0.1-10 {mu}g kg{sup -1} range.

  7. Residual basins

    International Nuclear Information System (INIS)

    D'Elboux, C.V.; Paiva, I.B.

    1980-01-01

    Exploration for uranium carried out over a major portion of the Rio Grande do Sul Shield has revealed a number of small residual basins developed along glacially eroded channels of pre-Permian age. Mineralization of uranium occurs in two distinct sedimentary units. The lower unit consists of rhythmites overlain by a sequence of black shales, siltstones and coal seams, while the upper one is dominated by sandstones of probable fluvial origin. (Author) [pt

  8. The effects of gas-fluid-rock interactions on CO2 injection and storage: Insights from reactive transport modeling

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Y.; Xu, T.; Pruess, K.

    2008-10-15

    Possible means of reducing atmospheric CO{sub 2} emissions include injecting CO{sub 2} in petroleum reservoirs for Enhanced Oil Recovery or storing CO{sub 2} in deep saline aquifers. Large-scale injection of CO{sub 2} into subsurface reservoirs would induce a complex interplay of multiphase flow, capillary trapping, dissolution, diffusion, convection, and chemical reactions that may have significant impacts on both short-term injection performance and long-term fate of CO{sub 2} storage. Reactive Transport Modeling is a promising approach that can be used to predict the spatial and temporal evolution of injected CO{sub 2} and associated gas-fluid-rock interactions. This presentation will summarize recent advances in reactive transport modeling of CO{sub 2} storage and review key technical issues on (1) the short- and long-term behavior of injected CO{sub 2} in geological formations; (2) the role of reservoir mineral heterogeneity on injection performance and storage security; (3) the effect of gas mixtures (e.g., H{sub 2}S and SO{sub 2}) on CO{sub 2} storage; and (4) the physical and chemical processes during potential leakage of CO{sub 2} from the primary storage reservoir. Simulation results suggest that CO{sub 2} trapping capacity, rate, and impact on reservoir rocks depend on primary mineral composition and injecting gas mixtures. For example, models predict that the injection of CO{sub 2} alone or co-injection with H{sub 2}S in both sandstone and carbonate reservoirs lead to acidified zones and mineral dissolution adjacent to the injection well, and carbonate precipitation and mineral trapping away from the well. Co-injection of CO{sub 2} with H{sub 2}S and in particular with SO{sub 2} causes greater formation alteration and complex sulfur mineral (alunite, anhydrite, and pyrite) trapping, sometimes at a much faster rate than previously thought. The results from Reactive Transport Modeling provide valuable insights for analyzing and assessing the dynamic

  9. Residue analysis of organochlorine pesticides in water and ...

    African Journals Online (AJOL)

    Mr Willims

    2013-05-12

    May 12, 2013 ... residues were performed by injecting 1 µL of purified extract into the injection port of a gas chromatograph with a 63Ni electron capture .... Identification and determination of OCP residues by gas chromatography. A gas chromatograph with ..... Distribution of chlorine- ted pesticides in shellfishes from Lagos ...

  10. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry's Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds.

    Science.gov (United States)

    Hilal, S H; Saravanaraj, A N; Carreira, L A

    2014-02-01

    The SPARC (SPARC Performs Automated Reasoning in Chemistry) physicochemical mechanistic models for neutral compounds have been extended to estimate Henry's Law Constant (HLC) for charged species by incorporating ionic electrostatic interaction models. Combinations of absolute aqueous pKa values, relative pKa values in the gas phase, and aqueous HLC for neutral compounds have been used to develop monopole interaction models that quantify the energy differences upon moving an ionic solute molecule from the gas phase to the liquid phase. Inter-molecular interaction energies were factored into mechanistic contributions of monopoles with polarizability, dipole, H-bonding, and resonance. The monopole ionic models were validated by a wide range of measured gas phase pKa data for 450 acidic compounds. The RMS deviation error and R(2) for the OH, SH, CO2 H, CH3 and NR2 acidic reaction centers (C) were 16.9 kcal/mol and 0.87, respectively. The calculated HLCs of ions were compared to the HLCs of 142 ions calculated by quantum mechanics. Effects of inter-molecular interaction of the monopoles with polarizability, dipole, H-bonding, and resonance on acidity of the solutes in the gas phase are discussed. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Spin-orbit interaction in a two-dimensional electron gas in a InAs/AlSb quantum well with gate-controlled electron density

    NARCIS (Netherlands)

    Heida, J.P.; Wees, B.J. van; Kuipers, J.J.; Klapwijk, T.M.; Borghs, G.

    1998-01-01

    We present experiments on the tuning of the spin-orbit interaction in a two-dimensional electron gas in an asymmetric InAs/AlSb quantum well using a gate. The observed dependence of the spin splitting energy on the electron density can be attributed solely to the change in the Fermi wave vector. The

  12. Assessing fuel spill risks in polar waters: Temporal dynamics and behaviour of hydrocarbons from Antarctic diesel, marine gas oil and residual fuel oil.

    Science.gov (United States)

    Brown, Kathryn E; King, Catherine K; Kotzakoulakis, Konstantinos; George, Simon C; Harrison, Peter L

    2016-09-15

    As part of risk assessment of fuel oil spills in Antarctic and subantarctic waters, this study describes partitioning of hydrocarbons from three fuels (Special Antarctic Blend diesel, SAB; marine gas oil, MGO; and intermediate grade fuel oil, IFO 180) into seawater at 0 and 5°C and subsequent depletion over 7days. Initial total hydrocarbon content (THC) of water accommodated fraction (WAF) in seawater was highest for SAB. Rates of THC loss and proportions in equivalent carbon number fractions differed between fuels and over time. THC was most persistent in IFO 180 WAFs and most rapidly depleted in MGO WAF, with depletion for SAB WAF strongly affected by temperature. Concentration and composition remained proportionate in dilution series over time. This study significantly enhances our understanding of fuel behaviour in Antarctic and subantarctic waters, enabling improved predictions for estimates of sensitivities of marine organisms to toxic contaminants from fuels in the region. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Trace analysis of residual methyl methanesulfonate, ethyl methanesulfonate and isopropyl methanesulfonate in pharmaceuticals by capillary gas chromatography with flame ionization detection.

    Science.gov (United States)

    Li, Weiyong

    2004-08-13

    A capillary gas chromatographic method using flame ionization detection was developed and validated for the trace analysis (ppm level) of methyl methanesulfonate, ethyl methanesulfonate, and isopropyl methanesulfonate in pharmaceutical drug substance. The method utilizes a megabore capillary column with bonded and crosslinked polyethylene glycol stationary phase. A dissolve-and-injection approach was adopted for sample introduction in a splitless mode. The investigated sample solvents include acetonitrile, ethyl acetate, methylene chloride, 1,2-dichloromethane, and toluene. Aqueous mixtures of acetonitrile and water can also be used as sample solvent. A limit of detection of about 1 microg/g (1 ppm) and limit of quantitation of 5 microg/g (5 ppm) were achieved for the mesylate esters in drug substance samples. The method optimization and validation are also discussed in this paper.

  14. Determination of residual 1,4-dioxane in surfactants and cleaning agents using headspace single-drop microextraction followed by gas chromatography-flame ionization detection.

    Science.gov (United States)

    Saraji, M; Shirvani, N

    2017-02-01

    Polyethoxylated surfactants are widely used in the formulation of different cleaning agents such as shampoo, dish washing and hand washing products and lotion formulation. During the production of polyethoxylated surfactants, 1,4-dioxane as a toxic and carcinogenic by-product is formed. A simple low-cost method based on headspace single-drop microextraction combined with gas chromatography-flame ionization detection was developed for the determination of 1,4-dioxane in surfactants and cleaning agents. In this method, 1,4-dioxane was extracted from 8.0 mL sample solution into a microdrop of an organic solvent, and then, it was injected to gas chromatography. The effects of such parameters as the solvent type, salt addition, microdrop volume, stirring rate, equilibrium time, extraction time and the temperature of sample solution on the extraction performance were studied and optimized. An ethoxylated surfactant containing 1,4-dioxane was used as the sample for the optimization of the extraction parameters. The linear range, determination coefficient, limit of detection and relative standard deviation of the method were 0.5-100 μg g -1 , 0.9977, 0.4 μg g -1 and 7.2% (n = 5), respectively. Different real samples including sodium lauryl ether sulphate, sodium lauryl sulphate (SLS), four brands of shampoo, and hand washing and dish washing liquids were analysed by the method. 1,4-Dioxane was detected at the concentration range of 2.4-201 μg g -1 in the samples, except dish washing liquid and SLS. A new method with the merits of simplicity, low cost, low organic solvent consumption, short analysis time, good repeatability and suitable detection limit was developed for the analysis of 1,4-dioxane in surfactants and cleaning agents. © 2016 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  15. Low-level Determination of Residual Methyl Methane Sulfonate and Ethyl Methane Sulfonate in Pharmaceuticals by Gas Chromatography with Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    M. Sarat

    2010-01-01

    Full Text Available A capillary gas chromatographic method using mass spectrometric detection was developed and validated for the trace analysis (ppm level of methyl methane sulfonate and ethyl methane sulfonate in pharmaceutical drug substances. The method utilizes a capillary column (DB-624 with 6% cyanopropyl phenyl and 94% dimethyl polysiloxane stationary phase. A dissolve-and-injection approach was adopted for sample introduction in a split less mode. Mixture of (80:20 ratio of methanol and chloroform was used as a diluent or sample solvent. A limit of detection of about 0.17 μg/g (0.17 ppm for methyl methane sulfonate and 0.18 μg/g (0.18 ppm for ethyl methane sulfonate were achieved and limit of quantitation of 0.52 μg/g (0.52 ppm for methyl methane sulfonate and 0.54 μg/g (0.54 ppm for ethyl methane sulfonate were achieved for alkyl sulfonates in drug substance samples.

  16. Determination of triazole pesticide residues in edible oils using air-assisted liquid-liquid microextraction followed by gas chromatography with flame ionization detection.

    Science.gov (United States)

    Farajzadeh, Mir Ali; Feriduni, Behruz; Mogaddam, Mohammad Reza Afshar

    2015-03-01

    In the present study, a rapid, simple, and highly efficient sample preparation method based on air-assisted liquid-liquid microextraction followed by gas chromatography with flame ionization detection was developed for the extraction, preconcentration, and determination of five triazole pesticides (penconazole, hexaconazole, diniconazole, tebuconazole, and triticonazole) in edible oils. Initially, the oil samples were diluted with hexane and a few microliter of a less soluble organic solvent (extraction solvent) in hexane was added. To form fine and dispersed extraction solvent droplets, the mixture of oil sample solution and extraction solvent is repeatedly aspirated and dispersed with a syringe. Under the optimum extraction conditions, the method showed low limits of detection and quantification between 2.2-6.1 and 7.3-20 μg/L, respectively. Enrichment factors and extraction recoveries were in the ranges of 71-96 and 71-96%, respectively. The relative standard deviations for the extraction of 100 and 250 μg/L of each pesticide were less than 5% for intraday (n = 6) and interday (n = 3) precisions. Finally edible oil samples were successfully analyzed using the proposed method, and hexaconazole was found in grape seed oil. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Multi-residue analysis of legacy POPs and emerging organic contaminants in Singapore's coastal waters using gas chromatography-triple quadrupole tandem mass spectrometry.

    Science.gov (United States)

    Zhang, Hui; Bayen, Stéphane; Kelly, Barry C

    2015-08-01

    A gas chromatography-triple quadrupole mass spectrometry (GC-MS/MS) based method was developed for determination of 86 hydrophobic organic compounds in seawater. Solid-phase extraction (SPE) was employed for sequestration of target analytes in the dissolved phase. Ultrasound assisted extraction (UAE) and florisil chromatography were utilized for determination of concentrations in suspended sediments (particulate phase). The target compounds included multi-class hydrophobic contaminants with a wide range of physical-chemical properties. This list includes several polycyclic and nitro-aromatic musks, brominated and chlorinated flame retardants, methyl triclosan, chlorobenzenes, organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs). Spiked MilliQ water and seawater samples were used to evaluate the method performance. Analyte recoveries were generally good, with the exception of some of the more volatile target analytes (chlorobenzenes and bromobenzenes). The method is very sensitive, with method detection limits typically in the low parts per quadrillion (ppq) range. Analysis of 51 field-collected seawater samples (dissolved and particulate-bound phases) from four distinct coastal sites around Singapore showed trace detection of several polychlorinated biphenyl congeners and other legacy POPs, as well as several current-use emerging organic contaminants (EOCs). Polycyclic and nitro-aromatic musks, bromobenzenes, dechlorane plus isomers (syn-DP, anti-DP) and methyl triclosan were frequently detected at appreciable levels (2-20,000pgL(-1)). The observed concentrations of the monitored contaminants in Singapore's marine environment were generally comparable to previously reported levels in other coastal marine systems. To our knowledge, these are the first measurements of these emerging contaminants of concern in Singapore or Southeast Asia. The developed method may prove beneficial for future environmental monitoring of hydrophobic organic contaminants

  18. Analyses of organochlorine pesticides residues in eels (Anguilla anguilla from Lake Garda using Gas chromatography coupled with Tandem Mass Spectrometry (GC-MS/MS.

    Directory of Open Access Journals (Sweden)

    Giuseppe Federico Labella

    2017-05-01

    Full Text Available Lake Garda is located in Insubria region, that is known for being the most populated and industrialized area of Italy (Camusso et al., 2001. Therefore, the Lake water, and also the fish species present, could be affected by environmental contamination.  European eel (Anguilla anguilla are considered as suitable matrix for biomonitoring environmental contaminants in European water (Belpaire et al., 2007, being widespread in many European waters and highly contaminated by lipophilic compounds, due to the high lipid content (up to 40% (Larsson et al., 1991. Moreover, eel is an edible species (its farming currently supplies approximately 45,000 tons/year (Nielsen et al., 2008, so it also represents a public health issue. Based on these considerations, the aim of this study was to evaluate the occurrence of fourteen organochlorine pesticides (OCs in forty-five eels (Anguilla anguilla from Lake Garda, using Accelerated Solvent Extraction (ASE procedure for the analytes extraction and Gas chromatography coupled with Tandem Mass Spectrometry (GC-MS/MS for the analysis of OCs. GC-MS/MS analysis was developed and validated according to the SANTE/11945/2015 guidelines.  Uncontaminated eel sample (previously checked for the presence of OCs and considered blank with a concentration of compounds < Limit of Detection were used for all procedure's optimization steps. For all the OCs analysed, satisfactory results were achieved. Regarding eel samples, several pesticides were detected, but DDTs (DDT and its metabolites were found with the highest prevalence (92 %. The concentration rage was from not detected (n.d. to 19000 ng g-1. Although DDTs levels in the environment are declining (Albaiges et al., 2011, they continue to bioaccumulate in tissues of human and animal and biomagnify in food chains.

  19. RESIDUAL RISK ASSESSMENTS - RESIDUAL RISK ...

    Science.gov (United States)

    This source category previously subjected to a technology-based standard will be examined to determine if health or ecological risks are significant enough to warrant further regulation for Coke Ovens. These assesments utilize existing models and data bases to examine the multi-media and multi-pollutant impacts of air toxics emissions on human health and the environment. Details on the assessment process and methodologies can be found in EPA's Residual Risk Report to Congress issued in March of 1999 (see web site). To assess the health risks imposed by air toxics emissions from Coke Ovens to determine if control technology standards previously established are adequately protecting public health.

  20. Electrodialytic remediation of air pollution control residues

    DEFF Research Database (Denmark)

    Jensen, Pernille Erland

    Air pollution control (APC) residue from municipal solid waste incineration (MSWI) consists of the fly ash, and, in dry and semi-dry systems, also the reaction products from the flue gas cleaning process. APC residue is considered a hazardous waste due to its high alkalinity, high content of salts...

  1. Development of a multi-residue method for the determination of pesticides in cereals and dry animal feed using gas chromatography-tandem quadrupole mass spectrometry II. Improvement and extension to new analytes.

    Science.gov (United States)

    Walorczyk, Stanisław

    2008-10-24

    This paper describes the extension and re-validation of a previously published multi-residue method to currently 140 pesticides and 4 pesticide degradation products in cereals and feedingstuffs. The pesticides were extracted using buffered QuEChERS ("quick, easy, cheap, rugged, effective and safe") method and then cleaned up using dispersive solid-phase extraction with Bondesil PSA and C18 sorbents, and optionally by a freezing-out clean-up step. The final extracts were analyzed in a single injection gas chromatographic-tandem quadrupole mass spectrometric (GC-MS/MS) acquisition method. A high degree of confidence was achieved by entering two multiple reaction monitoring transitions per compound. In this way, quantification of analytical results and unequivocal identification of pesticide residues in compliance with the recent European Union criteria could be done in a single analysis. Thorough optimization of the GC-MS/MS acquisition conditions and application of an effective clean-up procedure has resulted in a remarkable enhancement of the validation parameters. The linearity of the calibration curves was excellent in matrix-matched standards, and yielded the coefficients of determination (R(2))> or =0.99 for approximately 96% of the target analytes. Average recoveries of the pesticides spiked at 0.01mgkg(-1) into a feed mixture and wheat grain were in the range 70-120% with associated RSD values feed mixtures and other samples such as malt, starch and dry vegetables have been analyzed. A total of 15 different pesticides have been detected, among which pirimiphos methyl (19 cases), deltamethrin (14 cases), tolylfluanid (5 cases), dichlofluanid (5 cases), and tebuconazole (4 cases) were the most frequently encountered ones.

  2. Imagining CO2: development and assessment of interactive visualizations for high resolution greenhouse gas observations collected by BEACO2N

    Science.gov (United States)

    Raheja, G.; Shusterman, A.; Martin, S.; Shahar, E.; Laughner, J.; Turner, A. J.; Miller, M. K.; Cohen, R. C.

    2016-12-01

    The Berkeley Atmospheric CO2 Observation Network (BEACO2N) is a high-density network of 28 carbon dioxide sensors distributed around the San Francisco Bay Area that serve to enhance understanding of intra-city variations in CO2 concentrations that are not necessarily captured by sparser networks maintained by local and national air quality management agencies. We partner with designers at the San Francisco Exploratorium to create a suite of interactive exhibits and hands-on activities that creatively visualize data from BEACO2N for general audiences. Museum goers can manipulate a light-up "bar graph" of live CO2 concentrations by exhaling on an in-room sensor, query the current readings of rooftop sensors using a scale model of the Wired Pier observation system, scroll through the data from other BEACO2N sites projected on a 3-D "topographic table" of the Bay Area, and view interpolated CO2 fields driven by research-grade weather models on a nine-screen LCD display. We present lessons learned from these initial installations, from layperson audience feedback to details of the Stochastic Time-Inverted Lagrangian Transport (STILT) model coupled to Weather Research and Forecasting (WRF) weather fields used to generate intuitive concentration maps. We propose that compelling visual demonstrations of elevated CO2 concentrations due to routine small-scale high-emission anthropogenic activities (e.g. rush hour) and/or special events (such as fireworks or factory fires) generate deeper engagement in local environmental issues and interest in undertaking personal actions that can become part of the broader climate solution. While global means and other large-scale aggregate climate metrics can lead to feelings of disconnect and subsequent ambivalence, via such exhibitions, distributed network instruments like BEACO2N can provide the local sensitivity needed to "personalize" greenhouse gas concentrations to a given individual or community and incite the drive toward

  3. Interactions in recovery and in residual injury from sequential treatments of mouse haemopoietic and stromal marrow cell populations, using X-rays, cyclophosphamide and busulphan

    International Nuclear Information System (INIS)

    Qi, D.Y.; Hendry, J.H.; Testa, N.G.

    1991-01-01

    The acute recovery of day 11 CFU-S, iv-CFC and CFU-F in mouse bone marrow, following a test dose of X-rays, cyclophosphamide (CP) or busulphan given to mice previously treated with repeated priming dose X-rays or CP, was in general predictable from the amount of residual injury after the priming doses. A marked exception was iv-CFC after X-rays, which although amplified to near normal levels during the residual injury phase, recovered after the test irradiation from low-levels of CFU-S. The amount of residual injury after sequential treatments of different agents was in general less than expected on the basis of the product of the effects of the individual agents. This was most marked for CP priming treatments, where the long-term recovery of day 11 CFU-S after the test dose remained persistently above control levels. Also, some correlation was found between improved stromal recovery (CFU-F) and the CFU-S content following the sequential treatment protocols. (author). 33 refs.; 3 figs.; 5 tabs

  4. Proposed systematic methodology for analysis of Pb-210 radioactivity in residues produced in Brazilian natural gas pipes; Proposicao de um modelo analitico sistematico da atividade de Pb-210 em residuos gerados em linhas de gas

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Aloisio Cordilha

    2003-11-15

    Since the 80's, the potential radiological hazards due to the handling of solid wastes contaminated with Rn-222 long-lived progeny - Pb-210 in special - produced in gas pipes and removed by pig operations have been subject of growing concern abroad our country. Nevertheless, little or no attention has been paid to this matter in the Brazilian plants up to now, being these hazards frequently underestimated or even ignored. The main purpose of this work was to propose a systematic methodology for analysis of Pb-210 radioactivity in black powder samples from some Brazilian plants, through the evaluation of direct Pb-210 gamma spectrometry and Bi-210 beta counting technical viabilities. In both cases, one in five samples of black powder analysed showed relevant activity (above 1Bq/kg) of Pb-210, being these results probably related to particular features of each specific plant (production levels, reservoir geochemical profile, etc.), in such a way that a single pattern is not observed. For the proposed methodology, gamma spectrometry proved to be the most reliable technique, showing a 3.5% standard deviation, and, for a 95% confidence level, overall fitness in the range of Pb-210 concentration of activity presented in the standard sample reference sheet, provided by IAEA for intercomparison purposes. In the Brazilian scene, however, the availability of statistically supported evidences is insufficient to allow the potential radiological hazard due to the management of black powder to be discarded. Thus, further research efforts are recommended in order to detect the eventually critical regions or plants where gas exploration, production and processing practices will require a regular program of radiological surveillance, in the near future. (author)

  5. Beam, vacuum and walls, a 3-body interaction

    International Nuclear Information System (INIS)

    Arianer, J.

    2002-11-01

    The interactions between beams of accelerated particles, residual gas and walls involve complex physical processes. In most cases these interactions affect the quality of the vacuum and the value of the pressure. This course reviews all these interactions in a pedagogical and practical way that may be useful for any user of devices involving beams of particles. This document is made up of 6 chapters: 1) basic notions (Maxwell-Boltzmann distribution, kinematics of charged particles, collisions, excitation and ionization), 2) properties of beams (emittance, local effects, and synchrotron radiation), 3) interactions between residual gas and particle beams (Bremsstrahlung radiation, energy loss due to ionization, charge shift of ion beams, photo-absorption and photo-ionization, and slowing-down in a plasma), 4) surface properties (crystal structure, and interaction between surface and the residual gas), 5) interaction between the beam and walls (reflection and diffraction of electrons, secondary emission of electrons, desorption induced by electron and ion impacts, photon production, ion-wall interaction, sputtering, ion penetration, surface ionization and thermal-ionization), and 6) radiation-wall interaction (diffusion, damping, photo-electric effect, desorption induced by photons, pair production and laser-surface interaction). (A.C.)

  6. Residual nilpotence and residual solubility of groups

    International Nuclear Information System (INIS)

    Mikhailov, R V

    2005-01-01

    The properties of the residual nilpotence and the residual solubility of groups are studied. The main objects under investigation are the class of residually nilpotent groups such that each central extension of these groups is also residually nilpotent and the class of residually soluble groups such that each Abelian extension of these groups is residually soluble. Various examples of groups not belonging to these classes are constructed by homological methods and methods of the theory of modules over group rings. Several applications of the theory under consideration are presented and problems concerning the residual nilpotence of one-relator groups are considered.

  7. Fundamental mechanisms in flue-gas conditioning. Topical report No. 1, Literature review and assembly of theories on the interactions of ash and FGD sorbents

    Energy Technology Data Exchange (ETDEWEB)

    Dahlin, R.S.; Vann Bush, P.; Snyder, T.R.

    1992-01-09

    The overall goal of this research project is to formulate a mathematical model of flue gas conditioning. This model will be based on an understanding of why ash properties, such as cohesivity and resistivity, are changed by conditioning. Such a model could serve as a component of the performance models of particulate control devices where flue gas conditioning is used. There are two specific objectives of this research project, which divide the planned research into two main parts. One part of the project is designed to determine how ash particles are modified by interactions with sorbent injection processes and to describe the mechanisms by which these interactions affect fine particle collection. The objective of the other part of the project is to identify the mechanisms by which conditioning agents, including chemically active compounds, modify the key properties of fine fly ash particles.

  8. Fundamental mechanisms in flue gas conditioning. Topical report No. 2, Literature review and assembly of theories on the interactions of ash and conditioning agents

    Energy Technology Data Exchange (ETDEWEB)

    Bush, P.V.; Snyder, T.R.

    1992-01-09

    The overall goal of this research project is to formulate a mathematical model of flue gas conditioning. This model will be based on an understanding of why ask properties, such as cohesivity and resistivity, are changed by conditioning. Such a model could serve as a component of the performance models of particulate control devices where flue gas conditioning is used. There are two specific objectives of this research project, which divide the planned research into two main parts. One part of the project is designed to determine how ash particles are modified by interactions with sorbent injection processes and to describe the mechanisms by which these interactions affect fine particle collection. The objective of the other part of the project is to identify the mechanisms by which conditioning agents, including chemically active compounds, modify the key properties of fine fly ash particles.

  9. Biochemical, hydrological and mechanical behaviors of high food waste content MSW landfill: Liquid-gas interactions observed from a large-scale experiment.

    Science.gov (United States)

    Zhan, Liang-Tong; Xu, Hui; Chen, Yun-Min; Lan, Ji-Wu; Lin, Wei-An; Xu, Xiao-Bing; He, Pin-Jing

    2017-10-01

    The high food waste content (HFWC) MSW at a landfill has the characteristics of rapid hydrolysis process, large leachate production rate and fast gas generation. The liquid-gas interactions at HFWC-MSW landfills are prominent and complex, and still remain significant challenges. This paper focuses on the liquid-gas interactions of HFWC-MSW observed from a large-scale bioreactor landfill experiment (5m×5m×7.5m). Based on the connected and quantitative analyses on the experimental observations, the following findings were obtained: (1) The high leachate level observed at Chinese landfills was attributed to the combined contribution from the great quantity of self-released leachate, waste compression and gas entrapped underwater. The contribution from gas entrapped underwater was estimated to be 21-28% of the total leachate level. (2) The gas entrapped underwater resulted in a reduction of hydraulic conductivity, decreasing by one order with an increase in gas content from 13% to 21%. (3) The "breakthrough value" in the gas accumulation zone was up to 11kPa greater than the pore liquid pressure. The increase of the breakthrough value was associated with the decrease of void porosity induced by surcharge loading. (4) The self-released leachate from HFWC-MSW was estimated to contribute to over 30% of the leachate production at landfills in Southern China. The drainage of leachate with a high organic loading in the rapid hydrolysis stage would lead to a loss of landfill gas (LFG) potential of 13%. Based on the above findings, an improved method considering the quantity of self-released leachate was proposed for the prediction of leachate production at HFWC-MSW landfills. In addition, a three-dimensional drainage system was proposed to drawdown the high leachate level and hence to improve the slope stability of a landfill, reduce the hydraulic head on a bottom liner and increase the collection efficiency for LFG. Copyright © 2017. Published by Elsevier Ltd.

  10. Towards building a robust computational framework to simulate multi-physics problems - a solution technique for three-phase (gas-liquid-solid) interactions

    Science.gov (United States)

    Zhang, Lucy

    In this talk, we show a robust numerical framework to model and simulate gas-liquid-solid three-phase flows. The overall algorithm adopts a non-boundary-fitted approach that avoids frequent mesh-updating procedures by defining independent meshes and explicit interfacial points to represent each phase. In this framework, we couple the immersed finite element method (IFEM) and the connectivity-free front tracking (CFFT) method that model fluid-solid and gas-liquid interactions, respectively, for the three-phase models. The CFFT is used here to simulate gas-liquid multi-fluid flows that uses explicit interfacial points to represent the gas-liquid interface and for its easy handling of interface topology changes. Instead of defining different levels simultaneously as used in level sets, an indicator function naturally couples the two methods together to represent and track each of the three phases. Several 2-D and 3-D testing cases are performed to demonstrate the robustness and capability of the coupled numerical framework in dealing with complex three-phase problems, in particular free surfaces interacting with deformable solids. The solution technique offers accuracy and stability, which provides a means to simulate various engineering applications. The author would like to acknowledge the supports from NIH/DHHS R01-2R01DC005642-10A1 and the National Natural Science Foundation of China (NSFC) 11550110185.

  11. Saturation in the K-shell excitation of 120 MeV S{sup 14+} ions in interaction with gas targets

    Energy Technology Data Exchange (ETDEWEB)

    Tiwari, U.; Saha, A.K.; Dhal, B.B.; Tribedi, L.C.; Kurup, M.B.; Tandon, P.N. [Tata Inst. of Fundamental Research, Mumbai (India); Gulyas, L. [Inst. of Nuclear Research of the Hungarian Academy of Sciences (ATOMKI), Debrecen (Hungary)

    1999-07-01

    In contrast t