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Sample records for coupled residues crucial

  1. Reciprocally coupled residues crucial for protein kinase Pak2 activity calculated by statistical coupling analysis.

    Directory of Open Access Journals (Sweden)

    Yuan-Hao Hsu

    2010-03-01

    Full Text Available Regulation of Pak2 activity involves at least two mechanisms: (i phosphorylation of the conserved Thr(402 in the activation loop and (ii interaction of the autoinhibitory domain (AID with the catalytic domain. We collected 482 human protein kinase sequences from the kinome database and globally mapped the evolutionary interactions of the residues in the catalytic domain with Thr(402 by sequence-based statistical coupling analysis (SCA. Perturbation of Thr(402 (34.6% suggests a communication pathway between Thr(402 in the activation loop, and Phe(387 (DeltaDeltaE(387F,402T = 2.80 in the magnesium positioning loop, Trp(427 (DeltaDeltaE(427W,402T = 3.12 in the F-helix, and Val(404 (DeltaDeltaE(404V,402T = 4.43 and Gly(405 (DeltaDeltaE(405G,402T = 2.95 in the peptide positioning loop. When compared to the cAMP-dependent protein kinase (PKA and Src, the perturbation pattern of threonine phosphorylation in the activation loop of Pak2 is similar to that of PKA, and different from the tyrosine phosphorylation pattern of Src. Reciprocal coupling analysis by SCA showed the residues perturbed by Thr(402 and the reciprocal coupling pairs formed a network centered at Trp(427 in the F-helix. Nine pairs of reciprocal coupling residues crucial for enzymatic activity and structural stabilization were identified. Pak2, PKA and Src share four pairs. Reciprocal coupling residues exposed to the solvent line up as an activation groove. This is the inhibitor (PKI binding region in PKA and the activation groove for Pak2. This indicates these evolutionary conserved residues are crucial for the catalytic activity of PKA and Pak2.

  2. Exact solutions for chemical bond orientations from residual dipolar couplings

    International Nuclear Information System (INIS)

    Wedemeyer, William J.; Rohl, Carol A.; Scheraga, Harold A.

    2002-01-01

    New methods for determining chemical structures from residual dipolar couplings are presented. The fundamental dipolar coupling equation is converted to an elliptical equation in the principal alignment frame. This elliptical equation is then combined with other angular or dipolar coupling constraints to form simple polynomial equations that define discrete solutions for the unit vector(s). The methods are illustrated with residual dipolar coupling data on ubiquitin taken in a single anisotropic medium. The protein backbone is divided into its rigid groups (namely, its peptide planes and C α frames), which may be solved for independently. A simple procedure for recombining these independent solutions results in backbone dihedral angles φ and ψ that resemble those of the known native structure. Subsequent refinement of these φ-ψ angles by the ROSETTA program produces a structure of ubiquitin that agrees with the known native structure to 1.1 A C α rmsd

  3. Simulation of Weld Mechanical Behavior to Include Welding-Induced Residual Stress and Distortion: Coupling of SYSWELD and Abaqus Codes

    Science.gov (United States)

    2015-11-01

    Memorandum Simulation of Weld Mechanical Behavior to Include Welding-Induced Residual Stress and Distortion: Coupling of SYSWELD and Abaqus Codes...Weld Mechanical Behavior to Include Welding-Induced Residual Stress and Distortion: Coupling of SYSWELD and Abaqus Codes by Charles R. Fisher...Welding- Induced Residual Stress and Distortion: Coupling of SYSWELD and Abaqus Codes 5a. CONTRACT NUMBER N/A 5b. GRANT NUMBER N/A 5c

  4. A liquid crystalline medium for measuring residual dipolar couplings over a wide range of temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Wang Hong; Eberstadt, Matthias; Olejniczak, Edward T.; Meadows, Robert P.; Fesik, Stephen W. [Abbott Laboratories (United States)

    1998-10-15

    A mixture of dilauroyl phosphatidylcholine (DLPC) and 3-(cholamidopropyl)dimethylammonio-2-hydroxyl-1-propane sulfonate (CHAPSO) in water forms disc shaped bicelles that become ordered at high magnetic fields over a wide range of temperatures. As illustrated for the FK506 binding protein (FKBP), large residual dipolar couplings can be measured for proteins dissolved in low concentrations (5% w/v) of a DLPC/CHAPSO medium at a molar ratio of 4.2:1. This system is especially useful for measuring residual dipolar couplings for molecules that are only stable at low temperatures.

  5. Determination of protein global folds using backbone residual dipolar coupling and long-range NOE restraints

    International Nuclear Information System (INIS)

    Giesen, Alexander W.; Homans, Steve W.; Brown, Jonathan Miles

    2003-01-01

    We report the determination of the global fold of human ubiquitin using protein backbone NMR residual dipolar coupling and long-range nuclear Overhauser effect (NOE) data as conformational restraints. Specifically, by use of a maximum of three backbone residual dipolar couplings per residue (N i -H N i , N i -C' i-1 , H N i - C' i-1 ) in two tensor frames and only backbone H N -H N NOEs, a global fold of ubiquitin can be derived with a backbone root-mean-square deviation of 1.4 A with respect to the crystal structure. This degree of accuracy is more than adequate for use in databases of structural motifs, and suggests a general approach for the determination of protein global folds using conformational restraints derived only from backbone atoms

  6. A new approach for applying residual dipolar couplings as restraints in structure elucidation

    International Nuclear Information System (INIS)

    Meiler, Jens; Blomberg, Niklas; Nilges, Michael; Griesinger, Christian

    2000-01-01

    Residual dipolar couplings are useful global structural restraints. The dipolar couplings define the orientation of a vector with respect to the alignment tensor. Although the size of the alignment tensor can be derived from the distribution of the experimental dipolar couplings, its orientation with respect to the coordinate system of the molecule is unknown at the beginning of structure determination. This causes convergence problems in the simulated annealing process. We therefore propose a protocol that translates dipolar couplings into intervector projection angles, which are independent of the orientation of the alignment tensor with respect to the molecule. These restraints can be used during the whole simulated annealing protocol

  7. Partial alignment and measurement of residual dipolar couplings of proteins under high hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Yinan; Wand, A. Joshua, E-mail: wand@mail.med.upenn.edu [University of Pennsylvania, Department of Biochemistry and Biophysics, Johnson Research Foundation (United States)

    2013-08-15

    High-pressure NMR spectroscopy has emerged as a complementary approach for investigating various structural and thermodynamic properties of macromolecules. Noticeably absent from the array of experimental restraints that have been employed to characterize protein structures at high hydrostatic pressure is the residual dipolar coupling, which requires the partial alignment of the macromolecule of interest. Here we examine five alignment media that are commonly used at ambient pressure for this purpose. We find that the spontaneous alignment of Pf1 phage, d(GpG) and a C12E5/n-hexnanol mixture in a magnetic field is preserved under high hydrostatic pressure. However, DMPC/DHPC bicelles and collagen gel are found to be unsuitable. Evidence is presented to demonstrate that pressure-induced structural changes can be identified using the residual dipolar coupling.

  8. Residual dipolar couplings : a new technique for structure determination of proteins in solution

    NARCIS (Netherlands)

    van Lune, Frouktje Sapke

    2004-01-01

    The aim of the work described in this thesis was to investigate how residual dipolar couplings can be used to resolve or refine the three-dimensional structure of one of the proteins of the phosphoenol-pyruvate phosphotransferase system (PTS), the main transport system for carbohydrates in

  9. A coupled creep plasticity model for residual stress relaxation of a shot-peened nickel-based superalloy

    Science.gov (United States)

    Buchanan, Dennis J.; John, Reji; Brockman, Robert A.; Rosenberger, Andrew H.

    2010-01-01

    Shot peening is a commonly used surface treatment process that imparts compressive residual stresses into the surface of metal components. Compressive residual stresses retard initiation and growth of fatigue cracks. During component loading history, shot-peened residual stresses may change due to thermal exposure, creep, and cyclic loading. In these instances, taking full credit for compressive residual stresses would result in a nonconservative life prediction. This article describes a methodical approach for characterizing and modeling residual stress relaxation under elevated temperature loading, near and above the monotonic yield strength of INI 00. The model incorporates the dominant creep deformation mechanism, coupling between the creep and plasticity models, and effects of prior plastic strain to simulate surface treatment deformation.

  10. Improvement of hydrogen bond geometry in protein NMR structures by residual dipolar couplings - an assessment of the interrelation of NMR restraints

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Pernille Rose; Axelsen, Jacob Bock [University of Copenhagen, Institute of Molecular Biology (Denmark); Lerche, Mathilde Hauge [Amersham Health (Sweden); Poulsen, Flemming M. [University of Copenhagen, Institute of Molecular Biology (Denmark)], E-mail: fmp@apk.molbio.ku.dk

    2004-01-15

    We have examined how the hydrogen bond geometry in three different proteins is affected when structural restraints based on measurements of residual dipolar couplings are included in the structure calculations. The study shows, that including restraints based solely on {sup 1}H{sup N}-{sup 15}N residual dipolar couplings has pronounced impact on the backbone rmsd and Ramachandran plot but does not improve the hydrogen bond geometry. In the case of chymotrypsin inhibitor 2 the addition of {sup 13}CO-{sup 13}C{sup {alpha}} and {sup 15}N-{sup 13}CO one bond dipolar couplings as restraints in the structure calculations improved the hydrogen bond geometry to a quality comparable to that obtained in the 1.8 A resolution X-ray structure of this protein. A systematic restraint study was performed, in which four types of restraints, residual dipolar couplings, hydrogen bonds, TALOS angles and NOEs, were allowed in two states. This study revealed the importance of using several types of residual dipolar couplings to get good hydrogen bond geometry. The study also showed that using a small set of NOEs derived only from the amide protons, together with a full set of residual dipolar couplings resulted in structures of very high quality. When reducing the NOE set, it is mainly the side-chain to side-chain NOEs that are removed. Despite of this the effect on the side-chain packing is very small when a reduced NOE set is used, which implies that the over all fold of a protein structure is mainly determined by correct folding of the backbone.

  11. Quantitative conformational analysis of the core region of N-glycans using residual dipolar couplings, aqueous molecular dynamics, and steric alignment

    International Nuclear Information System (INIS)

    Almond, Andrew; Duus, Jens O.

    2001-01-01

    A method is described for quantitatively investigating the dynamic conformation of small oligosaccharides containing an α(1 → 6) linkage. It was applied to the oligosaccharide Man-α(1 → 3) {Man-α (1 → 6)}Man-α-O-Me, which is a core region frequently observed in N-linked glycans. The approach tests an aqueous molecular dynamics simulation, capable of predicting microscopic dynamics, against experimental residual dipolar couplings, by assuming that alignment is caused purely by steric hindrance. The experimental constraints were heteronuclear and homonuclear residual dipolar couplings, and in particular those within the α(1 → 6) linkage itself. Powerful spin-state-selective pulse sequences and editing schemes were used to obtain the most relevant couplings for testing the model. Molecular dynamics simulations in water over a period of 50 ns were not able to predict the correct rotamer population at the α(1 → 6) linkage to agree with the experimental data. However, this sampling problem could be corrected using a simple maximum likelihood optimisation, indicating that the simulation was modelling local dynamics correctly. The maximum likelihood prediction of the residual dipolar couplings was found to be an almost equal population of the gg and gt rotamer conformations at the α(1 → 6) linkage, and the tg conformation was predicted to be unstable and unpopulated in aqueous solution. In this case all twelve measured residual dipolar couplings could be satisfied. This conformer population could also be used to make predictions of scalar couplings with the use of a previously derived empirical equation, and is qualitatively in agreement with previous predictions based on NMR, X-ray crystallography and optical data

  12. Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3

    Directory of Open Access Journals (Sweden)

    Beat Vögeli

    2015-12-01

    Full Text Available We compiled an NMR data set consisting of exact nuclear Overhauser enhancement (eNOE distance limits, residual dipolar couplings (RDCs and scalar (J couplings for GB3, which forms one of the largest and most diverse data set for structural characterization of a protein to date. All data have small experimental errors, which are carefully estimated. We use the data in the research article Vogeli et al., 2015, Complementarity and congruence between exact NOEs and traditional NMR probes for spatial decoding of protein dynamics, J. Struct. Biol., 191, 3, 306–317, doi:10.1016/j.jsb.2015.07.008 [1] for cross-validation in multiple-state structural ensemble calculation. We advocate this set to be an ideal test case for molecular dynamics simulations and structure calculations.

  13. Residuals and the Residual-Based Statistic for Testing Goodness of Fit of Structural Equation Models

    Science.gov (United States)

    Foldnes, Njal; Foss, Tron; Olsson, Ulf Henning

    2012-01-01

    The residuals obtained from fitting a structural equation model are crucial ingredients in obtaining chi-square goodness-of-fit statistics for the model. The authors present a didactic discussion of the residuals, obtaining a geometrical interpretation by recognizing the residuals as the result of oblique projections. This sheds light on the…

  14. Sparse networks of directly coupled, polymorphic, and functional side chains in allosteric proteins.

    Science.gov (United States)

    Soltan Ghoraie, Laleh; Burkowski, Forbes; Zhu, Mu

    2015-03-01

    Recent studies have highlighted the role of coupled side-chain fluctuations alone in the allosteric behavior of proteins. Moreover, examination of X-ray crystallography data has recently revealed new information about the prevalence of alternate side-chain conformations (conformational polymorphism), and attempts have been made to uncover the hidden alternate conformations from X-ray data. Hence, new computational approaches are required that consider the polymorphic nature of the side chains, and incorporate the effects of this phenomenon in the study of information transmission and functional interactions of residues in a molecule. These studies can provide a more accurate understanding of the allosteric behavior. In this article, we first present a novel approach to generate an ensemble of conformations and an efficient computational method to extract direct couplings of side chains in allosteric proteins, and provide sparse network representations of the couplings. We take the side-chain conformational polymorphism into account, and show that by studying the intrinsic dynamics of an inactive structure, we are able to construct a network of functionally crucial residues. Second, we show that the proposed method is capable of providing a magnified view of the coupled and conformationally polymorphic residues. This model reveals couplings between the alternate conformations of a coupled residue pair. To the best of our knowledge, this is the first computational method for extracting networks of side chains' alternate conformations. Such networks help in providing a detailed image of side-chain dynamics in functionally important and conformationally polymorphic sites, such as binding and/or allosteric sites. © 2014 Wiley Periodicals, Inc.

  15. A Refined Model for the Structure of Acireductone Dioxygenase from Klebsiella ATCC 8724 Incorporating Residual Dipolar Couplings

    Energy Technology Data Exchange (ETDEWEB)

    Pochapsky, Thomas C., E-mail: pochapsk@brandeis.edu; Pochapsky, Susan S.; Ju Tingting [Brandeis University, Department of Chemistry (United States); Hoefler, Chris [Brandeis University, Department of Biochemistry (United States); Liang Jue [Brandeis University, Department of Chemistry (United States)

    2006-02-15

    Acireductone dioxygenase (ARD) from Klebsiella ATCC 8724 is a metalloenzyme that is capable of catalyzing different reactions with the same substrates (acireductone and O{sub 2}) depending upon the metal bound in the active site. A model for the solution structure of the paramagnetic Ni{sup 2+}-containing ARD has been refined using residual dipolar couplings (RDCs) measured in two media. Additional dihedral restraints based on chemical shift (TALOS) were included in the refinement, and backbone structure in the vicinity of the active site was modeled from a crystallographic structure of the mouse homolog of ARD. The incorporation of residual dipolar couplings into the structural refinement alters the relative orientations of several structural features significantly, and improves local secondary structure determination. Comparisons between the solution structures obtained with and without RDCs are made, and structural similarities and differences between mouse and bacterial enzymes are described. Finally, the biological significance of these differences is considered.

  16. Annotating Protein Functional Residues by Coupling High-Throughput Fitness Profile and Homologous-Structure Analysis.

    Science.gov (United States)

    Du, Yushen; Wu, Nicholas C; Jiang, Lin; Zhang, Tianhao; Gong, Danyang; Shu, Sara; Wu, Ting-Ting; Sun, Ren

    2016-11-01

    usually limited by sampling size. Sequence conservation-based methods are further confounded by structural constraints and multifunctionality of proteins. Here we present a method that can systematically identify and annotate functional residues of a given protein. We used a high-throughput functional profiling platform to identify essential residues. Coupling it with homologous-structure comparison, we were able to annotate multiple functions of proteins. We demonstrated the method with the PB1 protein of influenza A virus and identified novel functional residues in addition to its canonical function as an RNA-dependent RNA polymerase. Not limited to virology, this method is generally applicable to other proteins that can be functionally selected and about which homologous-structure information is available. Copyright © 2016 Du et al.

  17. J-Spectroscopy in the presence of residual dipolar couplings: determination of one-bond coupling constants and scalable resolution

    International Nuclear Information System (INIS)

    Furrer, Julien; John, Michael; Kessler, Horst; Luy, Burkhard

    2007-01-01

    The access to weak alignment media has fuelled the development of methods for efficiently and accurately measuring residual dipolar couplings (RDCs) in NMR-spectroscopy. Among the wealth of approaches for determining one-bond scalar and RDC constants only J-modulated and J-evolved techniques retain maximum resolution in the presence of differential relaxation. In this article, a number of J-evolved experiments are examined with respect to the achievable minimum linewidth in the J-dimension, using the peptide PA 4 and the 80-amino-acid-protein Saposin C as model systems. With the JE-N-BIRD d,X -HSQC experiment, the average full-width at half height could be reduced to approximately 5 Hz for the protein, which allows the additional resolution of otherwise unresolved peaks by the active (J+D)-coupling. Since RDCs generally can be scaled by the choice of alignment medium and alignment strength, the technique introduced here provides an effective resort in cases when chemical shift differences alone are insufficient for discriminating signals. In favorable cases even secondary structure elements can be distinguished

  18. Copper Determination in Gunshot Residue by Cyclic Voltammetric and Inductive Coupled Plasma-Optical Emission Spectroscopy

    Directory of Open Access Journals (Sweden)

    Mohd Hashim Nurul’Afiqah Hashimah

    2016-01-01

    Full Text Available Analysis of gunshot residue (GSR is a crucial evidences for a forensic analyst in the fastest way. GSR analysis insists a suitable method provides a relatively simple, rapid and precise information on the spot at the crime scene. Therefore, the analysis of Cu(II in GSR using cyclic voltammetry (CV on screen printed carbon electrode (SPCE is a better choice compared to previous alternative methods such as Inductive Coupled Plasma-Optical Emission Spectroscopy (ICP-OES those required a long time for analysis. SPCE is specially designed to handle with microvolumes of sample such as GSR sample. It gives advantages for identification of copper in GSR on-site preliminary test to prevent the sample loss on the process to be analyzed in the laboratory. SPCE was swabbed directly on the shooter’s arm immediately after firing and acetate buffer was dropped on SPCE before CV analysis. For ICP-OES analysis, cotton that had been soaked in 0.5 M nitric acid was swabbed on the shooter’s arm immediately after firing and kept in a tightly closed sampling tube. Gold coated SPCE that had been through nanoparticles modification exhibits excellent performance on voltammograms. The calibration was linear from 1 to 50 ppm of copper, the limit of detection for copper was 0.3 ppm and a relative standard deviation was 6.1 %. The method was successfully applied to the determination of copper in GSR. The Cu determination on SPCE was compared and validated by ICP-OES method with 94 % accuracy.

  19. Residual stresses analysis in ball end milling of nickel-based superalloy Inconel 718

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Junteng; Zhang, Dinghua; Wu, Baohai; Luo, Ming [Key Laboratory of Contemporary Design and Integrated Manufacturing Technology, Northwestern Polytechnical University (China)

    2017-11-15

    Inconel 718 is widely used in the aviation, space, automotive and biomedical industries because of its outstanding properties. Near-surface residual stresses that are induced by ball end milling in Inconel 718 can be crucial for the performance and service time of the machined parts. In this paper, the influences of cutting conditions, including the use of cutting parameters, cutting fluid and spindle angles, on the residual stresses in the ball end milling process of Inconel 718 alloy were investigated experimentally. X-ray diffraction measurements reveal that residual stress distributions are highly influenced by cutting parameters, especially the depth of cut and cutting speed. The milling operation with cooling induces more compressive stresses trend and the magnitude of the residual stresses increases in the tensile direction with the increase of spindle angles. These cutting induced effects were further discussed with respect to thermal- mechanical coupling theory and some observations made by optical microscopy. From this investigation, it is suggested that the machining process parameters are not the smaller the better for the control of residual stresses in the ball end milling process of Inconel 718. (author)

  20. Improved crop residue cover estimates by coupling spectral indices for residue and moisture

    Science.gov (United States)

    Remote sensing assessment of soil residue cover (fR) and tillage intensity will improve our predictions of the impact of agricultural practices and promote sustainable management. Spectral indices for estimating fR are sensitive to soil and residue water content, therefore, the uncertainty of estima...

  1. Protein backbone motions viewed by intraresidue and sequential H{sup N}-H{sup {alpha}} residual dipolar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Voegeli, Beat; Yao Lishan; Bax, Ad [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)], E-mail: bax@nih.gov

    2008-05-15

    Triple resonance E.COSY-based techniques were used to measure intra-residue and sequential H{sup N}-H{sup {alpha}} residual dipolar couplings (RDCs) for the third IgG-binding domain of protein G (GB3), aligned in Pf1 medium. Measurements closely correlate with values predicted on the basis of an NMR structure, previously determined on the basis of a large number of one-bond backbone RDCs measured in five alignment media. However, in particular the sequential H{sup N}-H{sup {alpha}} RDCs are smaller than predicted for a static structure, suggesting a degree of motion for these internuclear vectors that exceeds that of the backbone amide N-H vectors. Of all experimentally determined GB3 structures available, the best correlation between experimental {sup 1}H-{sup 1}H couplings is observed for a GB3 ensemble, previously derived to generate a realistic picture of the conformational space sampled by GB3 (Clore and Schwieters, J Mol Biol 355:879-886, 2006). However, for both NMR and X-ray-derived structures the {sup 1}H-{sup 1}H couplings are found to be systematically smaller than expected on the basis of alignment tensors derived from {sup 15}N-{sup 1}H amide RDCs, assuming librationally corrected N-H bond lengths of 1.041 A.

  2. Residual dipolar couplings in sup 3 sup 1 P MAS spectra of PPh sub 3 substituted cobalt complexes

    CERN Document Server

    Szalontai, G

    2002-01-01

    Residual dipolar couplings between sup 3 sup 1 P- sup 5 sup 9 Co spin pairs were studied in sup 3 sup 1 P MAS spectra of mono- and dinuclear cobalt-triphenylphosphine complexes. These spectra can provide important information such as the scalar coupling between the dipolar phosphorus and the quadrupolar cobalt nuclei normally not available from solution phase studies. In case of complementary (NQR or x-ray) data even the relative orientation of the interacting shielding, dipolar, scalar couplings, and electric field gradient tensors or internuclear distances can be determined. Examples are shown both for well resolved and practically unresolved cases, factors which possibly control the spectral resolution are discussed in detail. (author)

  3. Multiphysics modelling and experimental validation of an air-coupled array of PMUTs with residual stresses

    Science.gov (United States)

    Massimino, G.; Colombo, A.; D'Alessandro, L.; Procopio, F.; Ardito, R.; Ferrera, M.; Corigliano, A.

    2018-05-01

    In this paper a complete multiphysics modelling via the finite element method (FEM) of an air-coupled array of piezoelectric micromachined ultrasonic transducers (PMUT) and its experimental validation are presented. Two numerical models are described for the single transducer, axisymmetric and 3D, with the following features: the presence of fabrication induced residual stresses, which determine a non-linear initial deformed configuration of the diaphragm and a substantial fundamental mode frequency shift; the multiple coupling between different physics, namely electro-mechanical coupling for the piezo-electric model, thermo-acoustic-structural interaction and thermo-acoustic-pressure interaction for the waves propagation in the surrounding fluid. The model for the single transducer is enhanced considering the full set of PMUTs belonging to the silicon dye in a 4 × 4 array configuration. The results of the numerical multiphysics models are compared with experimental ones in terms of the initial static pre-deflection, of the diaphragm central point spectrum and of the sound intensity at 3.5 cm on the vertical direction along the axis of the diaphragm.

  4. 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.

  5. A practical strategy for the accurate measurement of residual dipolar couplings in strongly aligned small molecules

    Science.gov (United States)

    Liu, Yizhou; Cohen, Ryan D.; Martin, Gary E.; Williamson, R. Thomas

    2018-06-01

    Accurate measurement of residual dipolar couplings (RDCs) requires an appropriate degree of alignment in order to optimize data quality. An overly weak alignment yields very small anisotropic data that are susceptible to measurement errors, whereas an overly strong alignment introduces extensive anisotropic effects that severely degrade spectral quality. The ideal alignment amplitude also depends on the specific pulse sequence used for the coupling measurement. In this work, we introduce a practical strategy for the accurate measurement of one-bond 13C-1H RDCs up to a range of ca. -300 to +300 Hz, corresponding to an alignment that is an order of magnitude stronger than typically employed for small molecule structural elucidation. This strong alignment was generated in the mesophase of the commercially available poly-γ-(benzyl-L-glutamate) polymer. The total coupling was measured by the simple and well-studied heteronuclear two-dimensional J-resolved experiment, which performs well in the presence of strong anisotropic effects. In order to unequivocally determine the sign of the total coupling and resolve ambiguities in assigning total couplings in the CH2 group, coupling measurements were conducted at an isotropic condition plus two anisotropic conditions of different alignment amplitudes. Most RDCs could be readily extracted from these measurements whereas more complicated spectral effects resulting from strong homonuclear coupling could be interpreted either theoretically or by simulation. Importantly, measurement of these very large RDCs actually offers significantly improved data quality and utility for the structure determination of small organic molecules.

  6. An improved pulse coupled neural network with spectral residual for infrared pedestrian segmentation

    Science.gov (United States)

    He, Fuliang; Guo, Yongcai; Gao, Chao

    2017-12-01

    Pulse coupled neural network (PCNN) has become a significant tool for the infrared pedestrian segmentation, and a variety of relevant methods have been developed at present. However, these existing models commonly have several problems of the poor adaptability of infrared noise, the inaccuracy of segmentation results, and the fairly complex determination of parameters in current methods. This paper presents an improved PCNN model that integrates the simplified framework and spectral residual to alleviate the above problem. In this model, firstly, the weight matrix of the feeding input field is designed by the anisotropic Gaussian kernels (ANGKs), in order to suppress the infrared noise effectively. Secondly, the normalized spectral residual saliency is introduced as linking coefficient to enhance the edges and structural characteristics of segmented pedestrians remarkably. Finally, the improved dynamic threshold based on the average gray values of the iterative segmentation is employed to simplify the original PCNN model. Experiments on the IEEE OTCBVS benchmark and the infrared pedestrian image database built by our laboratory, demonstrate that the superiority of both subjective visual effects and objective quantitative evaluations in information differences and segmentation errors in our model, compared with other classic segmentation methods.

  7. A Study of Residual Image in Charged-Coupled Device

    Directory of Open Access Journals (Sweden)

    Ho Jin

    2005-12-01

    Full Text Available For an image sensor CCD, electrons can be trapped at the front-side Si-SiO_2 surface interface in a case of exceeding the full well by bright source. Residual images can be made by the electrons remaining in the interface. These residual images are seen in the front-side-illuminated CCDs especially. It is not easy to find a quantitative analysis for this phenomenon in the domestic reports, although it is able to contaminate observation data. In this study, we find residual images in dark frames which were obtained from the front-side-illuminated CCD at Mt. Lemmon Optical Astronomy Observatory (LOAO, and analyze the effect to contaminated observation data by residual charges.

  8. Nitrogen availability of biogas residues

    Energy Technology Data Exchange (ETDEWEB)

    El-Sayed Fouda, Sara

    2011-09-07

    The objectives of this study were to characterize biogas residues either unseparated or separated into a liquid and a solid phase from the fermentation of different substrates with respect to their N and C content. In addition, short and long term effects of the application of these biogas residues on the N availability and N utilization by ryegrass was investigated. It is concluded that unseparated or liquid separated biogas residues provide N at least corresponding to their ammonium content and that after the first fertilizer application the C{sub org}:N{sub org} ratio of the biogas residues was a crucial factor for the N availability. After long term application, the organic N accumulated in the soil leads to an increased release of N.

  9. Leaching From Biomass Gasification Residues

    DEFF Research Database (Denmark)

    Allegrini, Elisa; Boldrin, Alessio; Polletini, A.

    2011-01-01

    The aim of the present work is to attain an overall characterization of solid residues from biomass gasification. Besides the determination of chemical and physical properties, the work was focused on the study of leaching behaviour. Compliance and pH-dependence leaching tests coupled with geoche......The aim of the present work is to attain an overall characterization of solid residues from biomass gasification. Besides the determination of chemical and physical properties, the work was focused on the study of leaching behaviour. Compliance and pH-dependence leaching tests coupled...

  10. 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)

  11. 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

  12. Multiclass methods for the analysis of antibiotic residues in milk by liquid chromatography coupled to mass spectrometry: A review.

    Science.gov (United States)

    Rossi, Rosanna; Saluti, Giorgio; Moretti, Simone; Diamanti, Irene; Giusepponi, Danilo; Galarini, Roberta

    2018-02-01

    Milk is an important and beneficial food from a nutritional point of view, being an indispensable source of high quality proteins. Furthermore, it is a raw material for many dairy products, such as yoghurt, cheese, cream etc. Before reaching consumers, milk goes through production, processing and circulation. Each step involves potentially unsafe factors, such as chemical contamination that can affect milk quality. Antibiotics are widely used in veterinary medicine for dry cow therapy and mastitis treatment in lactating cows, which can cause the presence of antimicrobial residues in milk. In order to ensure consumers' safety, milk is analyzed to make sure that the fixed Maximum Residue Limits (MRLs) for antibiotics are not exceeded. Multiclass methods can monitor more drug classes through a single analysis, so they are faster, less time-consuming and cheaper than traditional methods (single-class); this aspect is particularly important for milk, which is a highly perishable food. Nevertheless, multiclass methods for veterinary drug residues in foodstuffs are real analytical challenges. This article reviews the major multiclass methods published for the determination of antibiotic residues in milk by liquid chromatography coupled to mass spectrometry, with a special focus on sample preparation approaches.

  13. Independent alignment of RNA for dynamic studies using residual dipolar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Bardaro, Michael F.; Varani, Gabriele, E-mail: varani@chem.washington.edu [University of Washington, Department of Chemistry (United States)

    2012-09-15

    Molecular motion and dynamics play an essential role in the biological function of many RNAs. An important source of information on biomolecular motion can be found in residual dipolar couplings which contain dynamics information over the entire ms-ps timescale. However, these methods are not fully applicable to RNA because nucleic acid molecules tend to align in a highly collinear manner in different alignment media. As a consequence, information on dynamics that can be obtained with this method is limited. In order to overcome this limitation, we have generated a chimeric RNA containing both the wild type TAR RNA, the target of our investigation of dynamics, as well as the binding site for U1A protein. When U1A protein was bound to the portion of the chimeric RNA containing its binding site, we obtained independent alignment of TAR by exploiting the physical chemical characteristics of this protein. This technique can allow the extraction of new information on RNA dynamics, which is particularly important for time scales not covered by relaxation methods where important RNA motions occur.

  14. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry of drug residues from latent fingerprints.

    Science.gov (United States)

    Clemons, Kristina; Wiley, Rachel; Waverka, Kristin; Fox, James; Dziekonski, Eric; Verbeck, Guido F

    2013-07-01

    Here, we present a method of extracting drug residues from fingerprints via Direct Analyte-Probed Nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe-NSI-MS). This instrumental technique provides higher selectivity and lower detection limits over current methods, greatly reducing sample preparation, and does not compromise the integrity of latent fingerprints. This coupled to Raman microscopy is an advantageous supplement for location and identification of trace particles. DAPNe uses a nanomanipulator for extraction and differing microscopies for localization of chemicals of interest. A capillary tip with solvent of choice is placed in a nanopositioner. The surface to be analyzed is placed under a microscope, and a particle of interest is located. Using a pressure injector, the solvent is injected onto the surface where it dissolves the analyte, and then extracted back into the capillary tip. The solution is then directly analyzed via NSI-MS. Analyses of caffeine, cocaine, crystal methamphetamine, and ecstasy have been performed successfully. © 2013 American Academy of Forensic Sciences.

  15. Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex.

    Science.gov (United States)

    Ortega-Roldan, Jose Luis; Jensen, Malene Ringkjøbing; Brutscher, Bernhard; Azuaga, Ana I; Blackledge, Martin; van Nuland, Nico A J

    2009-05-01

    The description of the interactome represents one of key challenges remaining for structural biology. Physiologically important weak interactions, with dissociation constants above 100 muM, are remarkably common, but remain beyond the reach of most of structural biology. NMR spectroscopy, and in particular, residual dipolar couplings (RDCs) provide crucial conformational constraints on intermolecular orientation in molecular complexes, but the combination of free and bound contributions to the measured RDC seriously complicates their exploitation for weakly interacting partners. We develop a robust approach for the determination of weak complexes based on: (i) differential isotopic labeling of the partner proteins facilitating RDC measurement in both partners; (ii) measurement of RDC changes upon titration into different equilibrium mixtures of partially aligned free and complex forms of the proteins; (iii) novel analytical approaches to determine the effective alignment in all equilibrium mixtures; and (iv) extraction of precise RDCs for bound forms of both partner proteins. The approach is demonstrated for the determination of the three-dimensional structure of the weakly interacting CD2AP SH3-C:Ubiquitin complex (K(d) = 132 +/- 13 muM) and is shown, using cross-validation, to be highly precise. We expect this methodology to extend the remarkable and unique ability of NMR to study weak protein-protein complexes.

  16. Dynamically Coupled Residues within the SH2 Domain of FYN Are Key to Unlocking Its Activity.

    Science.gov (United States)

    Huculeci, Radu; Cilia, Elisa; Lyczek, Agatha; Buts, Lieven; Houben, Klaartje; Seeliger, Markus A; van Nuland, Nico; Lenaerts, Tom

    2016-11-01

    Src kinase activity is controlled by various mechanisms involving a coordinated movement of kinase and regulatory domains. Notwithstanding the extensive knowledge related to the backbone dynamics, little is known about the more subtle side-chain dynamics within the regulatory domains and their role in the activation process. Here, we show through experimental methyl dynamic results and predicted changes in side-chain conformational couplings that the SH2 structure of Fyn contains a dynamic network capable of propagating binding information. We reveal that binding the phosphorylated tail of Fyn perturbs a residue cluster near the linker connecting the SH2 and SH3 domains of Fyn, which is known to be relevant in the regulation of the activity of Fyn. Biochemical perturbation experiments validate that those residues are essential for inhibition of Fyn, leading to a gain of function upon mutation. These findings reveal how side-chain dynamics may facilitate the allosteric regulation of the different members of the Src kinase family. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Chemometric classification of gunshot residues based on energy dispersive X-ray microanalysis and inductively coupled plasma analysis with mass-spectrometric detection

    International Nuclear Information System (INIS)

    Steffen, S.; Otto, M.; Niewoehner, L.; Barth, M.; Brozek-Mucha, Z.; Biegstraaten, J.; Horvath, R.

    2007-01-01

    A gunshot residue sample that was collected from an object or a suspected person is automatically searched for gunshot residue relevant particles. Particle data (such as size, morphology, position on the sample for manual relocation, etc.) as well as the corresponding X-ray spectra and images are stored. According to these data, particles are classified by the analysis-software into different groups: 'gunshot residue characteristic', 'consistent with gunshot residue' and environmental particles, respectively. Potential gunshot residue particles are manually checked and - if necessary - confirmed by the operating forensic scientist. As there are continuing developments on the ammunition market worldwide, it becomes more and more difficult to assign a detected particle to a particular ammunition brand. As well, the differentiation towards environmental particles similar to gunshot residue is getting more complex. To keep external conditions unchanged, gunshot residue particles were collected using a specially designed shooting device for the test shots revealing defined shooting distances between the weapon's muzzle and the target. The data obtained as X-ray spectra of a number of particles (3000 per ammunition brand) were reduced by Fast Fourier Transformation and subjected to a chemometric evaluation by means of regularized discriminant analysis. In addition to the scanning electron microscopy in combination with energy dispersive X-ray microanalysis results, isotope ratio measurements based on inductively coupled plasma analysis with mass-spectrometric detection were carried out to provide a supplementary feature for an even lower risk of misclassification

  18. Chemometric classification of gunshot residues based on energy dispersive X-ray microanalysis and inductively coupled plasma analysis with mass-spectrometric detection

    Energy Technology Data Exchange (ETDEWEB)

    Steffen, S. [Bundeskriminalamt (BKA), Forensic Science Institute KT23, Thaerstr. 11, D - 65193 Wiesbaden (Germany); Otto, M. [TU Bergakademie Freiberg (TU BAF), Institute for Analytical Chemistry, Leipziger Str. 29, D - 09599 Freiberg (Germany)], E-mail: matthias.otto@chemie.tu-freiberg.de; Niewoehner, L.; Barth, M. [Bundeskriminalamt (BKA), Forensic Science Institute KT23, Thaerstr. 11, D - 65193 Wiesbaden (Germany); Brozek-Mucha, Z. [Instytut Ekspertyz Sadowych (IES), Westerplatte St. 9, PL - 31-033 Krakow (Poland); Biegstraaten, J. [Nederlands Forensisch Instituut (NFI), Fysische Technologie, Laan van Ypenburg 6, NL-2497 GB Den Haag (Netherlands); Horvath, R. [Kriminalisticky a Expertizny Ustav (KEU PZ), Institute of Forensic Science, Sklabinska 1, SK - 812 72 Bratislava (Slovakia)

    2007-09-15

    A gunshot residue sample that was collected from an object or a suspected person is automatically searched for gunshot residue relevant particles. Particle data (such as size, morphology, position on the sample for manual relocation, etc.) as well as the corresponding X-ray spectra and images are stored. According to these data, particles are classified by the analysis-software into different groups: 'gunshot residue characteristic', 'consistent with gunshot residue' and environmental particles, respectively. Potential gunshot residue particles are manually checked and - if necessary - confirmed by the operating forensic scientist. As there are continuing developments on the ammunition market worldwide, it becomes more and more difficult to assign a detected particle to a particular ammunition brand. As well, the differentiation towards environmental particles similar to gunshot residue is getting more complex. To keep external conditions unchanged, gunshot residue particles were collected using a specially designed shooting device for the test shots revealing defined shooting distances between the weapon's muzzle and the target. The data obtained as X-ray spectra of a number of particles (3000 per ammunition brand) were reduced by Fast Fourier Transformation and subjected to a chemometric evaluation by means of regularized discriminant analysis. In addition to the scanning electron microscopy in combination with energy dispersive X-ray microanalysis results, isotope ratio measurements based on inductively coupled plasma analysis with mass-spectrometric detection were carried out to provide a supplementary feature for an even lower risk of misclassification.

  19. Structure-independent cross-validation between residual dipolar couplings originating from internal and external orienting media

    International Nuclear Information System (INIS)

    Barbieri, Renato; Bertini, Ivano; Lee, Yong-Min; Luchinat, Claudio; Velders, Aldrik H.

    2002-01-01

    Lanthanide-substituted calcium binding proteins are known to partially orient in high magnetic fields. Orientation provides residual dipolar couplings (rdc's). Two of these systems, Tm 3+ - and Dy 3+ -substituted calbindin D 9k , dissolved in an external orienting medium (nonionic liquid crystalline phase) provide rdc values which are the sum of those induced by the lanthanides and by the liquid crystalline phase on the native calcium binding protein. This structure-independent check shows the innocence of the orienting medium with respect to the structure of the protein in solution. Furthermore, the simultaneous use of lanthanide substitution and external orienting media provides a further effective tool to control and tune the orientation tensor

  20. Prediction of interface residue based on the features of residue interaction network.

    Science.gov (United States)

    Jiao, Xiong; Ranganathan, Shoba

    2017-11-07

    Protein-protein interaction plays a crucial role in the cellular biological processes. Interface prediction can improve our understanding of the molecular mechanisms of the related processes and functions. In this work, we propose a classification method to recognize the interface residue based on the features of a weighted residue interaction network. The random forest algorithm is used for the prediction and 16 network parameters and the B-factor are acting as the element of the input feature vector. Compared with other similar work, the method is feasible and effective. The relative importance of these features also be analyzed to identify the key feature for the prediction. Some biological meaning of the important feature is explained. The results of this work can be used for the related work about the structure-function relationship analysis via a residue interaction network model. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. A wafer mapping technique for residual stress in surface micromachined films

    International Nuclear Information System (INIS)

    Schiavone, G; Murray, J; Smith, S; Walton, A J; Desmulliez, M P Y; Mount, A R

    2016-01-01

    The design of MEMS devices employing movable structures is crucially dependant on the mechanical behaviour of the deposited materials. It is therefore important to be able to fully characterize the micromachined films and predict with confidence the mechanical properties of patterned structures. This paper presents a characterization technique that enables the residual stress in MEMS films to be mapped at the wafer level by using microstructures released by surface micromachining. These dedicated MEMS test structures and the associated measurement techniques are used to extract localized information on the strain and Young’s modulus of the film under investigation. The residual stress is then determined by numerically coupling this data with a finite element analysis of the structure. This paper illustrates the measurement routine and demonstrates it with a case study using electrochemically deposited alloys of nickel and iron, particularly prone to develop high levels of residual stress. The results show that the technique enables wafer mapping of film non-uniformities and identifies wafer-to-wafer differences. A comparison between the results obtained from the mapping technique and conventional wafer bow measurements highlights the benefits of using a procedure tailored to films that are non-uniform, patterned and surface-micromachined, as opposed to simple standard stress extraction methods. The presented technique reveals detailed information that is generally unexplored when using conventional stress extraction methods such as wafer bow measurements. (paper)

  2. Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect β-N-acetyl-D-hexosaminidase.

    Directory of Open Access Journals (Sweden)

    Tian Liu

    Full Text Available The chemical similarity of cellulose and chitin supports the idea that their corresponding hydrolytic enzymes would bind β-1,4-linked glucose residues in a similar manner. A structural and mutational analysis was performed for the plant cellulolytic enzyme BGlu1 from Oryza sativa and the insect chitinolytic enzyme OfHex1 from Ostrinia furnacalis. Although BGlu1 shows little amino-acid sequence or topological similarity with OfHex1, three residues (Trp(490, Glu(328, Val(327 in OfHex1, and Trp(358, Tyr(131 and Ile(179 in BGlu1 were identified as being conserved in the +1 sugar binding site. OfHex1 Glu(328 together with Trp(490 was confirmed to be necessary for substrate binding. The mutant E328A exhibited a 8-fold increment in K(m for (GlcNAc(2 and a 42-fold increment in K(i for TMG-chitotriomycin. A crystal structure of E328A in complex with TMG-chitotriomycin was resolved at 2.5 Å, revealing the obvious conformational changes of the catalytic residues (Glu(368 and Asp(367 and the absence of the hydrogen bond between E328A and the C3-OH of the +1 sugar. V327G exhibited the same activity as the wild-type, but acquired the ability to efficiently hydrolyse β-1,2-linked GlcNAc in contrast to the wild-type. Thus, Glu(328 and Val(327 were identified as important for substrate-binding and as glycosidic-bond determinants. A structure-based sequence alignment confirmed the spatial conservation of these three residues in most plant cellulolytic, insect and bacterial chitinolytic enzymes.

  3. Controlling residual dipolar couplings in high-resolution NMR of proteins by strain induced alignment in a gel

    International Nuclear Information System (INIS)

    Ishii, Yoshitaka; Markus, Michelle A.; Tycko, Robert

    2001-01-01

    Water-soluble biological macromolecules can be weakly aligned by dissolution in a strained, hydrated gel such as cross-linked polyacrylamide, an effect termed 'strain-induced alignment in a gel' (SAG). SAG induces nonzero nuclear magnetic dipole-dipole couplings that can be measured in high-resolution NMR spectra and used as structural constraints. The dependence of experimental 15 N- 1 H dipolar couplings extracted from two-dimensional heteronuclear single quantum coherence (HSQC) spectra on several properties of compressed polyacrylamide, including the extent of compression, the polyacrylamide concentration, and the cross-link density, is reported for the B1 immunoglobulin binding domain of streptococcal protein G (protein G/B1, 57 residues). It is shown that the magnitude of macromolecular alignment can be widely varied by adjusting these properties, although the orientation and asymmetry of the alignment tensor are not affected significantly. The dependence of the 15 N relaxation times T 1 and T 2 of protein G/B1 on polyacrylamide concentration are also reported. In addition, the results of 15 N relaxation and HSQC experiments on the RNA binding domain of prokaryotic protein S4 from Bacillus stearothermophilus (S4 Δ41, residues 43-200) in a compressed polyacrylamide gel are presented. These results demonstrate the applicability of SAG to proteins of higher molecular weight and greater complexity. A modified in-phase/anti-phase (IPAP) HSQC technique is described that suppresses natural-abundance 15 N background signals from amide groups in polyacrylamide, resulting in cleaner HSQC spectra in SAG experiments. The mechanism of protein alignment in strained polyacrylamide gels is contrasted with that in liquid crystalline media

  4. Improving residue-residue contact prediction via low-rank and sparse decomposition of residue correlation matrix.

    Science.gov (United States)

    Zhang, Haicang; Gao, Yujuan; Deng, Minghua; Wang, Chao; Zhu, Jianwei; Li, Shuai Cheng; Zheng, Wei-Mou; Bu, Dongbo

    2016-03-25

    Strategies for correlation analysis in protein contact prediction often encounter two challenges, namely, the indirect coupling among residues, and the background correlations mainly caused by phylogenetic biases. While various studies have been conducted on how to disentangle indirect coupling, the removal of background correlations still remains unresolved. Here, we present an approach for removing background correlations via low-rank and sparse decomposition (LRS) of a residue correlation matrix. The correlation matrix can be constructed using either local inference strategies (e.g., mutual information, or MI) or global inference strategies (e.g., direct coupling analysis, or DCA). In our approach, a correlation matrix was decomposed into two components, i.e., a low-rank component representing background correlations, and a sparse component representing true correlations. Finally the residue contacts were inferred from the sparse component of correlation matrix. We trained our LRS-based method on the PSICOV dataset, and tested it on both GREMLIN and CASP11 datasets. Our experimental results suggested that LRS significantly improves the contact prediction precision. For example, when equipped with the LRS technique, the prediction precision of MI and mfDCA increased from 0.25 to 0.67 and from 0.58 to 0.70, respectively (Top L/10 predicted contacts, sequence separation: 5 AA, dataset: GREMLIN). In addition, our LRS technique also consistently outperforms the popular denoising technique APC (average product correction), on both local (MI_LRS: 0.67 vs MI_APC: 0.34) and global measures (mfDCA_LRS: 0.70 vs mfDCA_APC: 0.67). Interestingly, we found out that when equipped with our LRS technique, local inference strategies performed in a comparable manner to that of global inference strategies, implying that the application of LRS technique narrowed down the performance gap between local and global inference strategies. Overall, our LRS technique greatly facilitates

  5. On the Structural Context and Identification of Enzyme Catalytic Residues

    Directory of Open Access Journals (Sweden)

    Yu-Tung Chien

    2013-01-01

    Full Text Available Enzymes play important roles in most of the biological processes. Although only a small fraction of residues are directly involved in catalytic reactions, these catalytic residues are the most crucial parts in enzymes. The study of the fundamental and unique features of catalytic residues benefits the understanding of enzyme functions and catalytic mechanisms. In this work, we analyze the structural context of catalytic residues based on theoretical and experimental structure flexibility. The results show that catalytic residues have distinct structural features and context. Their neighboring residues, whether sequence or structure neighbors within specific range, are usually structurally more rigid than those of noncatalytic residues. The structural context feature is combined with support vector machine to identify catalytic residues from enzyme structure. The prediction results are better or comparable to those of recent structure-based prediction methods.

  6. Quantum oscillation signatures of spin-orbit interactions controlling the residual nodal bilayer-splitting in underdoped high-Tc cuprates

    Science.gov (United States)

    Harrison, Neil; Shekhter, Arkady

    2015-03-01

    We investigate the origin of the small residual nodal bilayer-splitting in the underdoped high-Tc superconductor YBa2Cu3O6+x using the results of recently published angle-resolved quantum oscillation data [Sebastian et al., Nature 511, 61 (2014)]. A crucial clue to the origin of the residual bilayer-splitting is found to be provided by the anomalously small Zeeman-splitting of some of the observed cyclotron orbits. We show that such an anomalously Zeeman-splitting (or small effective g-factor) for a subset of orbits can be explained by spin-orbit interactions, which become significant in the nodal regions as a result of the vanishing bilayer coupling. The primary effect of spin-orbit interactions is to cause quasiparticles traversing the nodal region of the Brillouin zone to undergo a spin flip. We suggest that the Rashba-like spin-orbit interactions, naturally present in bilayer systems, have the right symmetry and magnitude to give rise to a network of coupled orbits consistent with experimental observations in underdoped YBa2Cu3O6+x. This work is supported by the DOEm BES proposal LANLF100, while the magnet lab is supported by the NSF and Florida State.

  7. Physical interaction of junctophilin and the CaV1.1 C terminus is crucial for skeletal muscle contraction.

    Science.gov (United States)

    Nakada, Tsutomu; Kashihara, Toshihide; Komatsu, Masatoshi; Kojima, Katsuhiko; Takeshita, Toshikazu; Yamada, Mitsuhiko

    2018-04-24

    Close physical association of Ca V 1.1 L-type calcium channels (LTCCs) at the sarcolemmal junctional membrane (JM) with ryanodine receptors (RyRs) of the sarcoplasmic reticulum (SR) is crucial for excitation-contraction coupling (ECC) in skeletal muscle. However, the molecular mechanism underlying the JM targeting of LTCCs is unexplored. Junctophilin 1 (JP1) and JP2 stabilize the JM by bridging the sarcolemmal and SR membranes. Here, we examined the roles of JPs in localization and function of LTCCs. Knockdown of JP1 or JP2 in cultured myotubes inhibited LTCC clustering at the JM and suppressed evoked Ca 2+ transients without disrupting JM structure. Coimmunoprecipitation and GST pull-down assays demonstrated that JPs physically interacted with 12-aa residues in the proximal C terminus of the Ca V 1.1. A JP1 mutant lacking the C terminus including the transmembrane domain (JP1ΔCT) interacted with the sarcolemmal/T-tubule membrane but not the SR membrane. Expression of this mutant in adult mouse muscles in vivo exerted a dominant-negative effect on endogenous JPs, impairing LTCC-RyR coupling at triads without disrupting JM morphology, and substantially reducing Ca 2+ transients without affecting SR Ca 2+ content. Moreover, the contractile force of the JP1ΔCT-expressed muscle was dramatically reduced compared with the control. Taken together, JPs recruit LTCCs to the JM through physical interaction and ensure robust ECC at triads in skeletal muscle.

  8. De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media

    International Nuclear Information System (INIS)

    Ruan Ke; Briggman, Kathryn B.; Tolman, Joel R.

    2008-01-01

    The straightforward interpretation of solution state residual dipolar couplings (RDCs) in terms of internuclear vector orientations generally requires prior knowledge of the alignment tensor, which in turn is normally estimated using a structural model. We have developed a protocol which allows the requirement for prior structural knowledge to be dispensed with as long as RDC measurements can be made in three independent alignment media. This approach, called Rigid Structure from Dipolar Couplings (RSDC), allows vector orientations and alignment tensors to be determined de novo from just three independent sets of RDCs. It is shown that complications arising from the existence of multiple solutions can be overcome by careful consideration of alignment tensor magnitudes in addition to the agreement between measured and calculated RDCs. Extensive simulations as well applications to the proteins ubiquitin and Staphylococcal protein GB1 demonstrate that this method can provide robust determinations of alignment tensors and amide N-H bond orientations often with better than 10 o accuracy, even in the presence of modest levels of internal dynamics

  9. Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings

    International Nuclear Information System (INIS)

    Montalvao, Rinaldo W.; De Simone, Alfonso; Vendruscolo, Michele

    2012-01-01

    Residual dipolar couplings (RDCs) have the potential of providing detailed information about the conformational fluctuations of proteins. It is very challenging, however, to extract such information because of the complex relationship between RDCs and protein structures. A promising approach to decode this relationship involves structure-based calculations of the alignment tensors of protein conformations. By implementing this strategy to generate structural restraints in molecular dynamics simulations we show that it is possible to extract effectively the information provided by RDCs about the conformational fluctuations in the native states of proteins. The approach that we present can be used in a wide range of alignment media, including Pf1, charged bicelles and gels. The accuracy of the method is demonstrated by the analysis of the Q factors for RDCs not used as restraints in the calculations, which are significantly lower than those corresponding to existing high-resolution structures and structural ensembles, hence showing that we capture effectively the contributions to RDCs from conformational fluctuations.

  10. PRINCIPLE OF SKEW QUADRUPOLE MODULATION TO MEASURE BETATRON COUPLING

    International Nuclear Information System (INIS)

    LUO, Y.; PILAT, F.; ROSER, T.

    2004-01-01

    The measurement of the residual betatron coupling via skew quadrupole modulation is a new diagnostics technique that has been developed and tested at the Relativistic Heavy Ion Collider (RHIC) as a very promising method for the linear decoupling on the ramp. By modulating the strengths of different skew quadrupole families the two eigentunes are precisely measured with the phase lock loop system. The projections of the residual coupling coefficient onto the skew quadrupole coupling modulation directions are determined. The residual linear coupling could be corrected according to the measurement. An analytical solution for skew quadrupole modulation based on Hamiltonian perturbation approximation is given, and simulation code using smooth accelerator model is also developed. Some issues concerning the practical applications of this technique are discussed

  11. 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.

  12. Residual stress by repair welds

    International Nuclear Information System (INIS)

    Mochizuki, Masahito; Toyoda, Masao

    2003-01-01

    Residual stress by repair welds is computed using the thermal elastic-plastic analysis with phase-transformation effect. Coupling phenomena of temperature, microstructure, and stress-strain fields are simulated in the finite-element analysis. Weld bond of a plate butt-welded joint is gouged and then deposited by weld metal in repair process. Heat source is synchronously moved with the deposition of the finite-element as the weld deposition. Microstructure is considered by using CCT diagram and the transformation behavior in the repair weld is also simulated. The effects of initial stress, heat input, and weld length on residual stress distribution are studied from the organic results of numerical analysis. Initial residual stress before repair weld has no influence on the residual stress after repair treatment near weld metal, because the initial stress near weld metal releases due to high temperature of repair weld and then stress by repair weld regenerates. Heat input has an effect for residual stress distribution, for not its magnitude but distribution zone. Weld length should be considered reducing the magnitude of residual stress in the edge of weld bead; short bead induces high tensile residual stress. (author)

  13. In-coupled syringe assisted octanol-water partition microextraction coupled with high-performance liquid chromatography for simultaneous determination of neonicotinoid insecticide residues in honey.

    Science.gov (United States)

    Vichapong, Jitlada; Burakham, Rodjana; Srijaranai, Supalax

    2015-07-01

    A simple and fast method namely in-coupled syringe assisted octanol-water partition microextraction combined with high performance liquid chromatography (HPLC) has been developed for the extraction, preconcentration and determination of neonicotinoid insecticide residues (e.g. imidacloprid, acetamiprid, clothianidin, thiacloprid, thiamethoxam, dinotefuran, and nitenpyram) in honey. The experimental parameters affected the extraction efficiency, including kind and concentration of salt, kind of disperser solvent and its volume, kind of extraction solvent and its volume, shooting times and extraction time were investigated. The extraction process was carried out by rapid shooting of two syringes. Therefore, rapid dispersion and mass transfer processes was created between phases, and thus affects the extraction efficiency of the proposed method. The optimum extraction conditions were 10.00 mL of aqueous sample, 10% (w/v) Na2SO4, 1-octanol (100µL) as an extraction solvent, shooting 4 times and extraction time 2min. No disperser solvent and centrifugation step was necessary. Linearity was obtained within the range of 0.1-3000 ngmL(-1), with the correlation coefficients greater than 0.99. The high enrichment factor of the target analytes was 100 fold and low limit of detection (0.25-0.50 ngmL(-1)) could be obtained. This proposed method has been successfully applied in the analysis of neonicotinoid residues in honey, and good recoveries in the range of 96.93-107.70% were obtained. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Evaluation of residue-residue contact prediction in CASP10

    KAUST Repository

    Monastyrskyy, Bohdan

    2013-08-31

    We present the results of the assessment of the intramolecular residue-residue contact predictions from 26 prediction groups participating in the 10th round of the CASP experiment. The most recently developed direct coupling analysis methods did not take part in the experiment likely because they require a very deep sequence alignment not available for any of the 114 CASP10 targets. The performance of contact prediction methods was evaluated with the measures used in previous CASPs (i.e., prediction accuracy and the difference between the distribution of the predicted contacts and that of all pairs of residues in the target protein), as well as new measures, such as the Matthews correlation coefficient, the area under the precision-recall curve and the ranks of the first correctly and incorrectly predicted contact. We also evaluated the ability to detect interdomain contacts and tested whether the difficulty of predicting contacts depends upon the protein length and the depth of the family sequence alignment. The analyses were carried out on the target domains for which structural homologs did not exist or were difficult to identify. The evaluation was performed for all types of contacts (short, medium, and long-range), with emphasis placed on long-range contacts, i.e. those involving residues separated by at least 24 residues along the sequence. The assessment suggests that the best CASP10 contact prediction methods perform at approximately the same level, and comparably to those participating in CASP9.

  15. Coupled intertwiner dynamics: A toy model for coupling matter to spin foam models

    OpenAIRE

    Steinhaus, Sebastian

    2015-01-01

    The universal coupling of matter and gravity is one of the most important features of general relativity. In quantum gravity, in particular spin foams, matter couplings have been defined in the past, yet the mutual dynamics, in particular if matter and gravity are strongly coupled, are hardly explored, which is related to the definition of both matter and gravitational degrees of freedom on the discretisation. However extracting this mutual dynamics is crucial in testing the viability of the ...

  16. The crucial role of ocean-atmosphere coupling on the Indian monsoon anomalous response during dipole events

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan, R.; Swapna, P.; Ayantika, D.C.; Mujumdar, M. [Indian Institute of Tropical Meteorology, Climate and Global Modelling Division, Pune (India); Sundaram, Suchithra [Indian Institute of Tropical Meteorology, Climate and Global Modelling Division, Pune (India); Universite Catholique de Louvain, Institut d' Astronomie de Geophysique G. Lemaitre, Louvain-La-Neuve (Belgium); Kumar, Vinay [Indian Institute of Tropical Meteorology, Climate and Global Modelling Division, Pune (India); Florida State University, Department of Meteorology, Tallahassee, FL (United States)

    2011-07-15

    This paper examines an issue concerning the simulation of anomalously wet Indian summer monsoons like 1994 which co-occurred with strong positive Indian Ocean Dipole (IOD) conditions in the tropical Indian Ocean. Contrary to observations it has been noticed that standalone atmospheric general circulation models (AGCM) forced with observed SST boundary condition, consistently depicted a decrease of the summer monsoon rainfall during 1994 over the Indian region. Given the ocean-atmosphere coupling during IOD events, we have examined whether the failure of standalone AGCM simulations in capturing wet Indian monsoons like 1994 can be remedied by including a simple form of coupling that allows the monsoon circulation to dynamically interact with the IOD anomalies. With this view, we have performed a suite of simulations by coupling an AGCM to a slab-ocean model with spatially varying mixed-layer-depth (MLD) specified from observations for the 1994 IOD; as well as four other cases (1983, 1997, 2006, 2007). The specification of spatially varying MLD from observations allows us to constrain the model to observed IOD conditions. It is seen that the inclusion of coupling significantly improves the large-scale circulation response by strengthening the monsoon cross-equatorial flow; leading to precipitation enhancement over the subcontinent and rainfall decrease over south-eastern tropical Indian Ocean - in a manner broadly consistent with observations. A plausible physical mechanism is suggested to explain the monsoonal response in the coupled frame-work. These results warrant the need for improved monsoon simulations with fully coupled models to be able to better capture the observed monsoon interannual variability. (orig.)

  17. Substantial conformational change mediated by charge-triad residues of the death effector domain in protein-protein interactions.

    Directory of Open Access Journals (Sweden)

    Edward C Twomey

    Full Text Available Protein conformational changes are commonly associated with the formation of protein complexes. The non-catalytic death effector domains (DEDs mediate protein-protein interactions in a variety of cellular processes, including apoptosis, proliferation and migration, and glucose metabolism. Here, using NMR residual dipolar coupling (RDC data, we report a conformational change in the DED of the phosphoprotein enriched in astrocytes, 15 kDa (PEA-15 protein in the complex with a mitogen-activated protein (MAP kinase, extracellular regulated kinase 2 (ERK2, which is essential in regulating ERK2 cellular distribution and function in cell proliferation and migration. The most significant conformational change in PEA-15 happens at helices α2, α3, and α4, which also possess the highest flexibility among the six-helix bundle of the DED. This crucial conformational change is modulated by the D/E-RxDL charge-triad motif, one of the prominent structural features of DEDs, together with a number of other electrostatic and hydrogen bonding interactions on the protein surface. Charge-triad motif promotes the optimal orientation of key residues and expands the binding interface to accommodate protein-protein interactions. However, the charge-triad residues are not directly involved in the binding interface between PEA-15 and ERK2.

  18. Annotating Protein Functional Residues by Coupling High-Throughput Fitness Profile and Homologous-Structure Analysis

    Directory of Open Access Journals (Sweden)

    Yushen Du

    2016-11-01

    Full Text Available Identification and annotation of functional residues are fundamental questions in protein sequence analysis. Sequence and structure conservation provides valuable information to tackle these questions. It is, however, limited by the incomplete sampling of sequence space in natural evolution. Moreover, proteins often have multiple functions, with overlapping sequences that present challenges to accurate annotation of the exact functions of individual residues by conservation-based methods. Using the influenza A virus PB1 protein as an example, we developed a method to systematically identify and annotate functional residues. We used saturation mutagenesis and high-throughput sequencing to measure the replication capacity of single nucleotide mutations across the entire PB1 protein. After predicting protein stability upon mutations, we identified functional PB1 residues that are essential for viral replication. To further annotate the functional residues important to the canonical or noncanonical functions of viral RNA-dependent RNA polymerase (vRdRp, we performed a homologous-structure analysis with 16 different vRdRp structures. We achieved high sensitivity in annotating the known canonical polymerase functional residues. Moreover, we identified a cluster of noncanonical functional residues located in the loop region of the PB1 β-ribbon. We further demonstrated that these residues were important for PB1 protein nuclear import through the interaction with Ran-binding protein 5. In summary, we developed a systematic and sensitive method to identify and annotate functional residues that are not restrained by sequence conservation. Importantly, this method is generally applicable to other proteins about which homologous-structure information is available.

  19. Measurement of residual stresses using fracture mechanics weight functions

    International Nuclear Information System (INIS)

    Fan, Y.

    2000-01-01

    A residual stress measurement method has been developed to quantify through-the-thickness residual stresses. Accurate measurement of residual stresses is crucial for many engineering structures. Fabrication processes such as welding and machining generate residual stresses that are difficult to predict. Residual stresses affect the integrity of structures through promoting failures due to brittle fracture, fatigue, stress corrosion cracking, and wear. In this work, the weight function theory of fracture mechanics is used to measure residual stresses. The weight function theory is an important development in computational fracture mechanics. Stress intensity factors for arbitrary stress distribution on the crack faces can be accurately and efficiently computed for predicting crack growth. This paper demonstrates that the weight functions are equally useful in measuring residual stresses. In this method, an artificial crack is created by a thin cut in a structure containing residual stresses. The cut relieves the residual stresses normal to the crack-face and allows the relieved residual stresses to deform the structure. Strain gages placed adjacent to the cut measure the relieved strains corresponding to incrementally increasing depths of the cut. The weight functions of the cracked body relate the measured strains to the residual stresses normal to the cut within the structure. The procedure details, such as numerical integration of the singular functions in applying the weight function method, will be discussed

  20. Measurement of residual stresses using fracture mechanics weight functions

    International Nuclear Information System (INIS)

    Fan, Y.

    2001-01-01

    A residual stress measurement method has been developed to quantify through-the-thickness residual stresses. Accurate measurement of residual stresses is crucial for many engineering structures. Fabrication processes such as welding and machining generate residual stresses that are difficult to predict. Residual stresses affect the integrity of structures through promoting failures due to brittle fracture, fatigue, stress corrosion cracking, and wear. In this work, the weight function theory of fracture mechanics is used to measure residual stresses. The weight function theory is an important development in computational fracture mechanics. Stress intensity factors for arbitrary stress distribution on the crack faces can be accurately and efficiently computed for predicting crack growth. This paper demonstrates that the weight functions are equally useful in measuring residual stresses. In this method, an artificial crack is created by a thin cut in a structure containing residual stresses. The cut relieves the residual stresses normal to the crack-face and allows the relieved residual stresses to deform the structure. Strain gages placed adjacent to the cut measure the relieved strains corresponding to incrementally increasing depths of the cut. The weight functions of the cracked body relate the measured strains to the residual stresses normal to the cut within the structure. The procedure details, such as numerical integration of the singular functions in applying the weight function method, will be discussed. (author)

  1. Determination of antibiotic residues in southern Baltic Sea sediments using tandem solid-phase extraction and liquid chromatography coupled with tandem mass spectrometry

    Directory of Open Access Journals (Sweden)

    Grzegorz Siedlewicz

    2016-07-01

    Full Text Available The main objective of this study was to adapt analytical procedures for determining antibiotic residues in solid and aquatic samples to marine sediments and to investigate the occurrence of 9 sulfonamides, trimethoprim and 2 quinolones in southern Baltic Sea sediments. The analytical procedure was applied to sediment samples characterized as sand and silty sand. The validation results showed that a sensitive and efficient method applying tandem solid-phase extraction (SPE and liquid chromatography coupled with tandem mass spectrometry (LC–MS/MS was obtained. Analytes were determined in the lower ng g−1 range with good accuracy and precision. The proposed analytical procedure was applied to the analysis of 13 sediment samples collected from the Baltic Sea along the Polish coast. Concentrations of antibiotic residues in environmental samples were calculated based on external matrix-matched calibration. Residues of nine out of twelve of the above antibiotics were detected in sediment samples in a concentrations of up to 419.2 ng g−1 d.w. (dry weight. Sulfamethoxazole and sulfachloropyridazine were the most frequently detected compounds (58% of the analyzed samples. The occurrence frequency of trimethoprim was 42% and it was always detected simultaneously with sulfamethoxazole. Preliminary studies on the spatial distribution of the analyzed antibiotics indicate a high level of antibiotics occurring in the Pomeranian Bay and close to the mouths of Polish rivers. The study is the first one to demonstrate the occurrence of antibiotic residues in sediments of the Polish coastal area. The obtained results suggest that sediment can be an important secondary source of antibiotic residues in the marine environment.

  2. Prediction of beta-turns from amino acid sequences using the residue-coupled model.

    Science.gov (United States)

    Guruprasad, K; Shukla, S

    2003-04-01

    We evaluated the prediction of beta-turns from amino acid sequences using the residue-coupled model with an enlarged representative protein data set selected from the Protein Data Bank. Our results show that the probability values derived from a data set comprising 425 protein chains yielded an overall beta-turn prediction accuracy 68.74%, compared with 94.7% reported earlier on a data set of 30 proteins using the same method. However, we noted that the overall beta-turn prediction accuracy using probability values derived from the 30-protein data set reduces to 40.74% when tested on the data set comprising 425 protein chains. In contrast, using probability values derived from the 425 data set used in this analysis, the overall beta-turn prediction accuracy yielded consistent results when tested on either the 30-protein data set (64.62%) used earlier or a more recent representative data set comprising 619 protein chains (64.66%) or on a jackknife data set comprising 476 representative protein chains (63.38%). We therefore recommend the use of probability values derived from the 425 representative protein chains data set reported here, which gives more realistic and consistent predictions of beta-turns from amino acid sequences.

  3. Generic GPCR residue numbers - aligning topology maps while minding the gaps

    DEFF Research Database (Denmark)

    Isberg, Vignir; de Graaf, Chris; Bortolato, Andrea

    2015-01-01

    Generic residue numbers facilitate comparisons of, for example, mutational effects, ligand interactions, and structural motifs. The numbering scheme by Ballesteros and Weinstein for residues within the class A GPCRs (G protein-coupled receptors) has more than 1100 citations, and the recent crysta...

  4. An encodable lanthanide binding tag with reduced size and flexibility for measuring residual dipolar couplings and pseudocontact shifts in large proteins

    Energy Technology Data Exchange (ETDEWEB)

    Barb, Adam W., E-mail: abarb@iastate.edu; Subedi, Ganesh P. [Iowa State University, Roy J. Carver Department of Biochemistry, Biophysics and Molecular Biology (United States)

    2016-01-15

    Metal ions serve important roles in structural biology applications from long-range perturbations seen in magnetic resonance experiments to electron-dense signatures in X-ray crystallography data; however, the metal ion must be secured in a molecular framework to achieve the maximum benefit. Polypeptide-based lanthanide-binding tags (LBTs) represent one option that can be directly encoded within a recombinant protein expression construct. However, LBTs often exhibit significant mobility relative to the target molecule. Here we report the characterization of improved LBTs sequences for insertion into a protein loop. These LBTs were inserted to connect two parallel alpha helices of an immunoglobulin G (IgG)-binding Z domain platform. Variants A and B bound Tb{sup 3+} with high affinity (0.70 and 0.13 μM, respectively) and displayed restricted LBT motion. Compared to the parent construct, the metal-bound A experienced a 2.5-fold reduction in tag motion as measured by magnetic field-induced residual dipolar couplings and was further studied in a 72.2 kDa complex with the human IgG1 fragment crystallizable (IgG1 Fc) glycoprotein. The appearance of both pseudo-contact shifts (−0.221 to 0.081 ppm) and residual dipolar couplings (−7.6 to 14.3 Hz) of IgG1 Fc resonances in the IgG1 Fc:(variant A:Tb{sup 3+}){sub 2} complex indicated structural restriction of the LBT with respect to the Fc. These studies highlight the applicability of improved LBT sequences with reduced mobility to probe the structure of macromolecular systems.

  5. An encodable lanthanide binding tag with reduced size and flexibility for measuring residual dipolar couplings and pseudocontact shifts in large proteins

    International Nuclear Information System (INIS)

    Barb, Adam W.; Subedi, Ganesh P.

    2016-01-01

    Metal ions serve important roles in structural biology applications from long-range perturbations seen in magnetic resonance experiments to electron-dense signatures in X-ray crystallography data; however, the metal ion must be secured in a molecular framework to achieve the maximum benefit. Polypeptide-based lanthanide-binding tags (LBTs) represent one option that can be directly encoded within a recombinant protein expression construct. However, LBTs often exhibit significant mobility relative to the target molecule. Here we report the characterization of improved LBTs sequences for insertion into a protein loop. These LBTs were inserted to connect two parallel alpha helices of an immunoglobulin G (IgG)-binding Z domain platform. Variants A and B bound Tb 3+ with high affinity (0.70 and 0.13 μM, respectively) and displayed restricted LBT motion. Compared to the parent construct, the metal-bound A experienced a 2.5-fold reduction in tag motion as measured by magnetic field-induced residual dipolar couplings and was further studied in a 72.2 kDa complex with the human IgG1 fragment crystallizable (IgG1 Fc) glycoprotein. The appearance of both pseudo-contact shifts (−0.221 to 0.081 ppm) and residual dipolar couplings (−7.6 to 14.3 Hz) of IgG1 Fc resonances in the IgG1 Fc:(variant A:Tb 3+ ) 2 complex indicated structural restriction of the LBT with respect to the Fc. These studies highlight the applicability of improved LBT sequences with reduced mobility to probe the structure of macromolecular systems

  6. Measurement of imino {sup 1}H-{sup 1}H residual dipolar couplings in RNA

    Energy Technology Data Exchange (ETDEWEB)

    Latham, Michael P. [University of Toronto, Department of Molecular Genetics (Canada); Pardi, Arthur [University of Colorado, Department of Chemistry and Biochemistry, 215 UCB (United States)], E-mail: arthur.pardi@colorado.edu

    2009-02-15

    Imino {sup 1}H-{sup 15}N residual dipolar couplings (RDCs) provide additional structural information that complements standard {sup 1}H-{sup 1}H NOEs leading to improvements in both the local and global structure of RNAs. Here, we report measurement of imino {sup 1}H-{sup 1}H RDCs for the Iron Responsive Element (IRE) RNA and native E. coli tRNA{sup Val} using a BEST-Jcomp-HMQC2 experiment. {sup 1}H-{sup 1}H RDCs are observed between the imino protons in G-U wobble base pairs and between imino protons on neighboring base pairs in both RNAs. These imino {sup 1}H-{sup 1}H RDCs complement standard {sup 1}H-{sup 15}N RDCs because the {sup 1}H-{sup 1}H vectors generally point along the helical axis, roughly perpendicular to {sup 1}H-{sup 15}N RDCs. The use of longitudinal relaxation enhancement increased the signal-to-noise of the spectra by {approx}3.5-fold over the standard experiment. The ability to measure imino {sup 1}H-{sup 1}H RDCs offers a new restraint, which can be used in NMR domain orientation and structural studies of RNAs.

  7. Residual stresses in Inconel 718 engine disks

    Directory of Open Access Journals (Sweden)

    Dahan Yoann

    2014-01-01

    Full Text Available Aubert&Duval has developed a methodology to establish a residual stress model for Inconel 718 engine discs. To validate the thermal, mechanical and metallurgical parts of the model, trials on lab specimens with specific geometry were carried out. These trials allow a better understanding of the residual stress distribution and evolution during different processes (quenching, ageing, machining. A comparison between experimental and numerical results reveals the residual stresses model accuracy. Aubert&Duval has also developed a mechanical properties prediction model. Coupled with the residual stress prediction model, Aubert&Duval can now propose improvements to the process of manufacturing in Inconel 718 engine disks. This model enables Aubert&Duval customers and subcontractors to anticipate distortions issues during machining. It could also be usedt to optimise the engine disk life.

  8. Bio-electrospraying and droplet-based microfluidics: control of cell numbers within living residues

    Energy Technology Data Exchange (ETDEWEB)

    Hong Jongin; DeMello, Andrew J [Nanostructured Materials and Devices Group, Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Jayasinghe, Suwan N, E-mail: a.demello@imperial.ac.u, E-mail: s.jayasinghe@ucl.ac.u [BioPhysics Group, Department of Mechanical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom)

    2010-04-15

    Bio-electrospraying (BES) has demonstrated great promise as a rapidly evolving strategy for tissue engineering and regenerative biology/medicine. Since its discovery in 2005, many studies have confirmed that cells (immortalized, primary and stem cells) and whole organisms (Danio rerio, Xenopus tropicalis, Caenorhabditis elegans to Drosophila) remain viable post-bio-electrospraying. Although this bio-protocol has achieved much, it suffers from one crucial problem, namely the ability to precisely control the number of cells within droplets and or encapsulations. If overcome, BES has the potential to become a high-efficiency biotechnique for controlled cell encapsulation, a technique most useful for a wide range of applications in biology and medicine ranging from the forming of three-dimensional cultures to an approach for treating diseases such as type I diabetes. In this communication, we address this issue by demonstrating the coupling of BES with droplet-based microfluidics for controlling live cell numbers within droplets and residues. (communication)

  9. Bio-electrospraying and droplet-based microfluidics: control of cell numbers within living residues

    International Nuclear Information System (INIS)

    Hong Jongin; DeMello, Andrew J; Jayasinghe, Suwan N

    2010-01-01

    Bio-electrospraying (BES) has demonstrated great promise as a rapidly evolving strategy for tissue engineering and regenerative biology/medicine. Since its discovery in 2005, many studies have confirmed that cells (immortalized, primary and stem cells) and whole organisms (Danio rerio, Xenopus tropicalis, Caenorhabditis elegans to Drosophila) remain viable post-bio-electrospraying. Although this bio-protocol has achieved much, it suffers from one crucial problem, namely the ability to precisely control the number of cells within droplets and or encapsulations. If overcome, BES has the potential to become a high-efficiency biotechnique for controlled cell encapsulation, a technique most useful for a wide range of applications in biology and medicine ranging from the forming of three-dimensional cultures to an approach for treating diseases such as type I diabetes. In this communication, we address this issue by demonstrating the coupling of BES with droplet-based microfluidics for controlling live cell numbers within droplets and residues. (communication)

  10. Determination of cadmium, lead and mercury residual levels in meat ...

    African Journals Online (AJOL)

    Determination of cadmium, lead and mercury residual levels in meat of canned light tuna ( Katsuwonus pelamis and Thunnus albacares ) and fresh little tunny ( Euthynnus alletteratus ) in Libya. ... Surveillance for mercury (Hg), lead (Pb) and cadmium (Cd) contamination in tuna products is crucial for consumer food safety.

  11. Energy and Regge residues in quantum-mechanical ''QCD'' sum rules

    International Nuclear Information System (INIS)

    Durand, B.; Durand, L.

    1986-01-01

    It was shown recently by Fishbane, Kaus, and Gasiorowicz that the residues at the poles of quantum-mechanical two-point functions for arbitrary angular momenta l have an incorrect l dependence when calculated by the sum-rule method used for the analogous problem in QCD. Knowledge of the residues is of interest since they are directly related to particle couplings and decay widths. We develop reliable expressions for the energy and Regge residues using semiclassical methods

  12. Calculations on seismic coupling of underground explosions in salt

    International Nuclear Information System (INIS)

    Heusinkveld, M.E.

    1981-01-01

    This report details the results of a theoretical study of seismic coupling and decoupling of underground explosions in a salt medium. A series of chemical and nuclear explosions was carried out years ago in salt domes for the Cowboy and the Dribble programs to provide experimental data on seismic coupling for both tamped explosions and explosions in cavities. The Cowboy program consisted of a series of chemical explosions, and the Dribble program consisted of the tamped nuclear Salmon event, the Sterling nuclear event in the Salmon cavity, and an associated site calibration effort. This report presents the results of extensive computer calculations, which are in satisfactory agreement with the experimental data. The calculations were extended to give general results on seismic coupling in salt. The measure of seismic coupling for most of this work was the residual reduced displacement potential (residual RDP). The decoupling associated with a shot in a cavity was expressed as the ratio of the resulting residual RDP to that of an equal-sized tamped shot

  13. Analysis and modeling of simulated residual stress of mold injected plastic parts by using robust correlations

    OpenAIRE

    Vargas, Carlos; Sierra, Juan; Posada, Juan; Botero-Cadavid, Juan F.

    2017-01-01

    ABSTRACT The injection molding process is the most widely used processing technique for polymers. The analysis of residual stresses generated during this process is crucial for the part quality assessment. The present study evaluates the residual stresses in a tensile strength specimen using the simulation software Moldex3D for two polymers, polypropylene and polycarbonate. The residual stresses obtained under a simulated design of experiment were modeled using a robust multivariable regressi...

  14. Determination of Carbaryl residues in soybean and peanut plants

    International Nuclear Information System (INIS)

    Sumatra, M.; Soejono; Sisworo, W.H.

    1976-01-01

    Carbaryl is one of the insecticides used in large quantities in Indonesia. It is effective against soybean and peanut plant insects. The residues in the plants are determined by Colorimetry at the residues level up to 5 ppm and by thin layer chromatography at level up to 0,1 ppm. Both methods use coupling reaction between hydrolysis product of Carbaryl and diazo reagent to produce colour. (author)

  15. Quantitative Multiclass Pesticide Residue Analysis in Apple, Pear, and Grape by Modified QuEChERS and Liquid Chromatography Coupled to High-Resolution Mass Spectrometry.

    Science.gov (United States)

    Munaretto, Juliana S; Viera, Mariela de S; Martins, Manoel L; Adaime, Martha B; Zanella, Renato

    2016-11-01

    Most of the analytical methods currently applied in food control laboratories are focused on the determination of target compounds using LC coupled to tandem MS, which is an effective technique, but low-resolution MS is limited. Thus, a method for determination of pesticide multiresidues in fruits (pear, apple, and grape) using a modified quick, easy, cheap, effective, rugged, and safe method and LC coupled to quadrupole time-of-flight (Q-TOF) MS was developed and validated. The proposed method showed good linearity (r2 > 0.99) from 1 to 100 μg/L. Recoveries for blank samples spiked at 0.01, 0.04, and 0.10 mg/kg were between 66 and 122%, with RSDs apple, pear, and grape matrixes were 0.01 mg/kg for 112, 120, and 118 compounds, and 0.04 mg/kg for 22, 12, and 17 compounds, and average mass accuracy error was 3.2 ppm. LC with Q-TOF MS detection using protonated molecular ion and/or adducts and mass accuracy provided reliability for the method. The proposed method is effective for pesticide residue determination in apple, pear, and grape samples, proving that high-resolution MS using full scan mode can be a powerful and reliable technique for quantification purposes, being adequate for application in the surveillance of maximum residue limits set by different legislations.

  16. Automatic residue removal for high-NA extreme illumination

    Science.gov (United States)

    Moon, James; Nam, Byong-Sub; Jeong, Joo-Hong; Kong, Dong-Ho; Nam, Byung-Ho; Yim, Dong Gyu

    2007-10-01

    An epidemic for smaller node has been that, as the device architecture shrinks, lithography process requires high Numerical Aperture (NA), and extreme illumination system. This, in turn, creates many lithography problems such as low lithography process margin (Depth of Focus, Exposure Latitude), unstable Critical Dimension (CD) uniformity and restricted guideline for device design rule and so on. Especially for high NA, extreme illumination such as immersion illumination systems, above all the related problems, restricted design rule due to forbidden pitch is critical and crucial issue. This forbidden pitch is composed of numerous optical effects but majority of these forbidden pitch compose of photo resist residue and these residue must be removed to relieve some room for already tight design rule. In this study, we propose automated algorithm to remove photo resist residue due to high NA and extreme illumination condition. This algorithm automatically self assembles assist patterns based on the original design layout, therefore insuring the safety and simplicity of the generated assist pattern to the original design and removes any resist residue created by extreme illumination condition. Also we tested our automated algorithm on full chip FLASH memory device and showed the residue removal effect by using commercial verification tools as well as on actual test wafer.

  17. Comparison of destructive and nondestructive assay of heterogeneous salt residues

    International Nuclear Information System (INIS)

    Fleissner, J.G.; Hume, M.W.

    1986-01-01

    To study problems associated with nondestructive assay (NDA) measurements of molten salt residues, a joint study was conducted by the Rocky Flats Plant, Golden, CO and Mound Laboratories, Miamisburg, OH. Extensive NDA measurements were made on nine containers of molten salt residues by both Rocky Flats and Mound followed by dissolution and solution quantification at Rocky Flats. Results of this study verify that plutonium and americium can be measured in such salt residues by a new gamma-ray spectral analysis technique coupled with calorimetry. Biases with respect to the segmented gamma-scan technique were noted

  18. Manual of Standard Operating Procedures for Veterinary Drug Residue Analysis

    International Nuclear Information System (INIS)

    2016-01-01

    Laboratories are crucial to national veterinary drug residue monitoring programmes. However, one of the main challenges laboratories encounter is obtaining access to relevant methods of analysis. Thus, in addition to training, providing technical advice and transferring technology, the Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture has resolved to develop clear and practical manuals to support Member State laboratories. The Coordinated Research Project (CRP) on Development of Radiometric and Allied Analytical Methods to Strengthen Residue Control Programs for Antibiotic and Anthelmintic Veterinary Drug Residues has developed a number of analytical methods as standard operating procedures (SOPs), which are now compiled here. This publication contains SOPs on chromatographic and spectrometric techniques, as well as radioimmunoassay and associated screening techniques, for various anthelmintic and antimicrobial veterinary drug residue analysis. Some analytical method validation protocols are also included. The publication is primarily aimed at food and environmental safety laboratories involved in testing veterinary drug residues, including under organized national residue monitoring programmes. It is expected to enhance laboratory capacity building and competence through the use of radiometric and complementary tools and techniques. The publication is also relevant for applied research on residues of veterinary drugs in food and environmental samples

  19. Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics

    International Nuclear Information System (INIS)

    Lakomek, Nils-Alexander; Walter, Korvin F. A.; Fares, Christophe; Lange, Oliver F.; Groot, Bert L. de; Grubmueller, Helmut; Brueschweiler, Rafael; Munk, Axel; Becker, Stefan; Meiler, Jens; Griesinger, Christian

    2008-01-01

    Residual dipolar couplings (RDCs) provide information about the dynamic average orientation of inter-nuclear vectors and amplitudes of motion up to milliseconds. They complement relaxation methods, especially on a time-scale window that we have called supra-τ c (τ c c rdc > = 0.72 ± 0.02 compared to LS 2 > = 0.778 ± 0.003 for the Lipari-Szabo order parameters, indicating that the inclusion of the supra-τ c window increases the averaged amplitude of mobility observed in the sub-τ c window by about 34%. For the β-strand spanned by residues Lys48 to Leu50, an alternating pattern of backbone NH RDC order parameter S rdc 2 (NH) = (0.59, 0.72, 0.59) was extracted. The backbone of Lys48, whose side chain is known to be involved in the poly-ubiquitylation process that leads to protein degradation, is very mobile on the supra-τ c time scale (S rdc 2 (NH) = 0.59 ± 0.03), while it is inconspicuous (S LS 2 (NH) = 0.82) on the sub-τ c as well as on μs-ms relaxation dispersion time scales. The results of this work differ from previous RDC dynamics studies of ubiquitin in the sense that the results are essentially independent of structural noise providing a much more robust assessment of dynamic effects that underlie the RDC data

  20. Exact Solutions for Internuclear Vectors and Backbone Dihedral Angles from NH Residual Dipolar Couplings in Two Media, and their Application in a Systematic Search Algorithm for Determining Protein Backbone Structure

    International Nuclear Information System (INIS)

    Wang Lincong; Donald, Bruce Randall

    2004-01-01

    We have derived a quartic equation for computing the direction of an internuclear vector from residual dipolar couplings (RDCs) measured in two aligning media, and two simple trigonometric equations for computing the backbone (φ,ψ) angles from two backbone vectors in consecutive peptide planes. These equations make it possible to compute, exactly and in constant time, the backbone (φ,ψ) angles for a residue from RDCs in two media on any single backbone vector type. Building upon these exact solutions we have designed a novel algorithm for determining a protein backbone substructure consisting of α-helices and β-sheets. Our algorithm employs a systematic search technique to refine the conformation of both α-helices and β-sheets and to determine their orientations using exclusively the angular restraints from RDCs. The algorithm computes the backbone substructure employing very sparse distance restraints between pairs of α-helices and β-sheets refined by the systematic search. The algorithm has been demonstrated on the protein human ubiquitin using only backbone NH RDCs, plus twelve hydrogen bonds and four NOE distance restraints. Further, our results show that both the global orientations and the conformations of α-helices and β-strands can be determined with high accuracy using only two RDCs per residue. The algorithm requires, as its input, backbone resonance assignments, the identification of α-helices and β-sheets as well as sparse NOE distance and hydrogen bond restraints.Abbreviations: NMR - nuclear magnetic resonance; RDC - residual dipolar coupling; NOE - nuclear Overhauser effect; SVD - singular value decomposition; DFS - depth-first search; RMSD - root mean square deviation; POF - principal order frame; PDB - protein data bank; SA - simulated annealing; MD - molecular dynamics

  1. Contrasting Cloud Composition Between Coupled and Decoupled Marine Boundary Layer Clouds

    Science.gov (United States)

    WANG, Z.; Mora, M.; Dadashazar, H.; MacDonald, A.; Crosbie, E.; Bates, K. H.; Coggon, M. M.; Craven, J. S.; Xian, P.; Campbell, J. R.; AzadiAghdam, M.; Woods, R. K.; Jonsson, H.; Flagan, R. C.; Seinfeld, J.; Sorooshian, A.

    2016-12-01

    Marine stratocumulus clouds often become decoupled from the vertical layer immediately above the ocean surface. This study contrasts cloud chemical composition between coupled and decoupled marine stratocumulus clouds. Cloud water and droplet residual particle composition were measured in clouds off the California coast during three airborne experiments in July-August of separate years (E-PEACE 2011, NiCE 2013, BOAS 2015). Decoupled clouds exhibited significantly lower overall mass concentrations in both cloud water and droplet residual particles, consistent with reduced cloud droplet number concentration and sub-cloud aerosol (Dp > 100 nm) number concentration, owing to detachment from surface sources. Non-refractory sub-micrometer aerosol measurements show that coupled clouds exhibit higher sulfate mass fractions in droplet residual particles, owing to more abundant precursor emissions from the ocean and ships. Consequently, decoupled clouds exhibited higher mass fractions of organics, nitrate, and ammonium in droplet residual particles, owing to effects of long-range transport from more distant sources. Total cloud water mass concentration in coupled clouds was dominated by sodium and chloride, and their mass fractions and concentrations exceeded those in decoupled clouds. Conversely, with the exception of sea salt constituents (e.g., Cl, Na, Mg, K), cloud water mass fractions of all species examined were higher in decoupled clouds relative to coupled clouds. These results suggest that an important variable is the extent to which clouds are coupled to the surface layer when interpreting microphysical data relevant to clouds and aerosol particles.

  2. Young's modulus and residual stress of GeSbTe phase-change thin films

    NARCIS (Netherlands)

    Nazeer, H.; Bhaskaran, Harish; Woldering, L.A.; Abelmann, Leon

    2015-01-01

    The mechanical properties of phase change materials alter when the phase is transformed. In this paper, we report on experiments that determine the change in crucial parameters such as Young's modulus and residual stress for two of the most widely employed compositions of phase change films,

  3. A Multi-Factor Analysis of Sustainable Agricultural Residue Removal Potential

    Energy Technology Data Exchange (ETDEWEB)

    Jared Abodeely; David Muth; Paul Adler; Eleanor Campbell; Kenneth Mark Bryden

    2012-10-01

    Agricultural residues have significant potential as a near term source of cellulosic biomass for bioenergy production, but sustainable removal of agricultural residues requires consideration of the critical roles that residues play in the agronomic system. Previous work has developed an integrated model to evaluate sustainable agricultural residue removal potential considering soil erosion, soil organic carbon, greenhouse gas emission, and long-term yield impacts of residue removal practices. The integrated model couples the environmental process models WEPS, RUSLE2, SCI, and DAYCENT. This study uses the integrated model to investigate the impact of interval removal practices in Boone County, Iowa, US. Residue removal of 4.5 Mg/ha was performed annually, bi-annually, and tri-annually and were compared to no residue removal. The study is performed at the soil type scale using a national soil survey database assuming a continuous corn rotation with reduced tillage. Results are aggregated across soil types to provide county level estimates of soil organic carbon changes and individual soil type soil organic matter content if interval residue removal were implemented. Results show interval residue removal is possible while improving soil organic matter. Implementation of interval removal practices provide greater increases in soil organic matter while still providing substantial residue for bioenergy production.

  4. Renewable energy from agro-residues in China. Solid biofuels and biomass briquetting technology

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Longjian; Han, Lujia [Center for Biomass Resource Utilization, College of Engineering, China Agricultural University (East Campus), 17 Qing-Hua-Dong-Lu, Hai-Dian District, Beijing 100083 (China); Xing, Li [Service Center for Trading Technology Service, Chinese Academy of Agricultural Mechanization Sciences, Beijing 100083 (China)

    2009-12-15

    China has the abundant agro-residue resources, producing more than 630 million tons of agro-residues in 2006, and amounting to about 20% of total energy consumption in rural areas. Efficient utilization of enormous agro-residues resource is crucial for providing bioenergy, releasing risk of environmental pollution, and increasing farmers' income. The paper presented the feasibility of densified solid biofuels technology for utilizing agro-residues in China. The output and distribution of agro-residues in recent 10 years, the R and D of briquetting technology, and the market of densified solid biofuels from agro-residues in China have been analyzed. The result indicated that the abundant agro-residue resources can provide the economical and sustainable raw material for densified solid biofuels development in China. The R and D of briquetting technology at present can strongly support the large scale production of densified solid biofuels. With continued improvement and cost reduction of briquetting technology, along with the support of nation energy policy on biomass energy, the market of densified solid biofuels from agro-residues in China will be more fully deployed. Based on the above mentioned key factors, development of densified solid biofuels from agro-residues in China will be promising and feasible. (author)

  5. Renewable energy from agro-residues in China. Solid biofuels and biomass briquetting technology

    International Nuclear Information System (INIS)

    Chen, Longjian; Han, Lujia; Xing, Li

    2009-01-01

    China has the abundant agro-residue resources, producing more than 630 million tons of agro-residues in 2006, and amounting to about 20% of total energy consumption in rural areas. Efficient utilization of enormous agro-residues resource is crucial for providing bioenergy, releasing risk of environmental pollution, and increasing farmers' income. The paper presented the feasibility of densified solid biofuels technology for utilizing agro-residues in China. The output and distribution of agro-residues in recent 10 years, the R and D of briquetting technology, and the market of densified solid biofuels from agro-residues in China have been analyzed. The result indicated that the abundant agro-residue resources can provide the economical and sustainable raw material for densified solid biofuels development in China. The R and D of briquetting technology at present can strongly support the large scale production of densified solid biofuels. With continued improvement and cost reduction of briquetting technology, along with the support of nation energy policy on biomass energy, the market of densified solid biofuels from agro-residues in China will be more fully deployed. Based on the above mentioned key factors, development of densified solid biofuels from agro-residues in China will be promising and feasible. (author)

  6. Coupled intertwiner dynamics: A toy model for coupling matter to spin foam models

    Science.gov (United States)

    Steinhaus, Sebastian

    2015-09-01

    The universal coupling of matter and gravity is one of the most important features of general relativity. In quantum gravity, in particular spin foams, matter couplings have been defined in the past, yet the mutual dynamics, in particular if matter and gravity are strongly coupled, are hardly explored, which is related to the definition of both matter and gravitational degrees of freedom on the discretization. However, extracting these mutual dynamics is crucial in testing the viability of the spin foam approach and also establishing connections to other discrete approaches such as lattice gauge theories. Therefore, we introduce a simple two-dimensional toy model for Yang-Mills coupled to spin foams, namely an Ising model coupled to so-called intertwiner models defined for SU (2 )k. The two systems are coupled by choosing the Ising coupling constant to depend on spin labels of the background, as these are interpreted as the edge lengths of the discretization. We coarse grain this toy model via tensor network renormalization and uncover an interesting dynamics: the Ising phase transition temperature turns out to be sensitive to the background configurations and conversely, the Ising model can induce phase transitions in the background. Moreover, we observe a strong coupling of both systems if close to both phase transitions.

  7. Prediction of residual stress distributions due to surface machining and welding and crack growth simulation under residual stress distribution

    International Nuclear Information System (INIS)

    Ihara, Ryohei; Katsuyama, JInya; Onizawa, Kunio; Hashimoto, Tadafumi; Mikami, Yoshiki; Mochizuki, Masahito

    2011-01-01

    Research highlights: → Residual stress distributions due to welding and machining are evaluated by XRD and FEM. → Residual stress due to machining shows higher tensile stress than welding near the surface. → Crack growth analysis is performed using calculated residual stress. → Crack growth result is affected machining rather than welding. → Machining is an important factor for crack growth. - Abstract: In nuclear power plants, stress corrosion cracking (SCC) has been observed near the weld zone of the core shroud and primary loop recirculation (PLR) pipes made of low-carbon austenitic stainless steel Type 316L. The joining process of pipes usually includes surface machining and welding. Both processes induce residual stresses, and residual stresses are thus important factors in the occurrence and propagation of SCC. In this study, the finite element method (FEM) was used to estimate residual stress distributions generated by butt welding and surface machining. The thermoelastic-plastic analysis was performed for the welding simulation, and the thermo-mechanical coupled analysis based on the Johnson-Cook material model was performed for the surface machining simulation. In addition, a crack growth analysis based on the stress intensity factor (SIF) calculation was performed using the calculated residual stress distributions that are generated by welding and surface machining. The surface machining analysis showed that tensile residual stress due to surface machining only exists approximately 0.2 mm from the machined surface, and the surface residual stress increases with cutting speed. The crack growth analysis showed that the crack depth is affected by both surface machining and welding, and the crack length is more affected by surface machining than by welding.

  8. Skeletal muscle excitation-contraction coupling: who are the dancing partners?

    Science.gov (United States)

    Rebbeck, Robyn T; Karunasekara, Yamuna; Board, Philip G; Beard, Nicole A; Casarotto, Marco G; Dulhunty, Angela F

    2014-03-01

    There is an overwhelming body of work supporting the idea that excitation-contraction coupling in skeletal muscle depends on a physical interaction between the skeletal muscle isoform of the dihydropyridine receptor L-type Ca(2+) channel and the skeletal isoform of the ryanodine receptor Ca(2+) release channel. A general assumption is that this physical interaction is between "critical" residues that have been identified in the II-III loop of the dihydropyridine receptor alpha subunit and the ryanodine receptor. However, despite extensive searches, the complementary "critical" residues in the ryanodine receptor have not been identified. This raises the possibility that the coupling proceeds either through other subunits of the dihydropyridine receptor and/or other co-proteins within the large RyR1 protein complex. There have been some remarkable advances in recent years in identifying proteins in the RyR complex that impact on the coupling process, and these are considered in this review. A major candidate for a role in the coupling mechanism is the beta subunit of the dihydropyridine receptor, because specific residues in both the beta subunit and ryanodine receptor have been identified that facilitate an interaction between the two proteins and these also impact on excitation-contraction coupling. This role of beta subunit remains to be fully investigated as well as the degree to which it may complement any other direct or indirect voltage-dependent coupling interactions between the DHPR alpha II-III loop and the ryanodine receptor. Copyright © 2014. Published by Elsevier Ltd.

  9. COUPLING MEASUREMENT AND CORRECTION AT RHIC

    International Nuclear Information System (INIS)

    PILAT, F.; BEEBE-WANG, J.; FISCHER, W.; PTITSYN, V.; SATOGATA, T.

    2002-01-01

    Coupling correction at RHIC has been operationally achieved through a two-step process: using local triplet skew quadrupoles to compensate coupling corn rolled low-beta triplet quadrupoles, and minimizing the tune separation and residual coupling with orthogonal global skew quadrupole families. An application has been developed for global correction that allows skew quadrupole tuning and tune display with a choice of different tune measurement techniques, including tune-meter, Schottky and phase lock loop (PLL). Coupling effects have been analyzed by using 1024-turn (TBT) information from the beam position monitor (BPM) system. These data allow the reconstruction of the off-diagonal terms of the transfer matrix, a measure of global coupling. At both injection and storage energies, coordination of tune meter kicks with TBT acquisition at 322 BPW's in each ring allows the measurement of local coupling at all BPM locations

  10. Use of liquid chromatography coupled to quadrupole time-of-flight mass spectrometry to investigate pesticide residues in fruits.

    Science.gov (United States)

    Grimalt, Susana; Pozo, Oscar J; Sancho, Juan V; Hernández, Félix

    2007-04-01

    In this paper, the potential of coupling liquid chromatography with hybrid quadrupole time-of-flight mass spectrometry (LC-QTOF) for the determination of pesticides in a variety of fruit samples (orange peel and flesh, banana skin and flesh, strawberry and pear) has been explored. The quantitative application at residue levels has been proven for two insecticides (buprofezin and hexythiazox), which were satisfactorily determined at three concentration levels, 0.1, 1, and 5 mg/kg, obtaining a suitable linearity range (correlation coefficient>0.99) of more than 2 orders of magnitude. Satisfactory recoveries have been obtained for both compounds at the three levels tested in all sample matrices, with lowest calibration levels (LCL) of 0.075 and 0.01 mg/kg. The excellent potential of QTOF for identification purposes is illustrated by the high number of identification points (IPs) earned, up to 21, at the highest concentration of 5 mg/kg, or between 11 and 21 at the 0.1 and 1 mg/kg levels. The application of LC-QTOF MS to real samples revealed the presence of several positives at concentrations close to the LCL, all of which were confirmed with more than 11 IPs. The potential of QTOF for elucidation of nontarget analytes has also been demonstrated by the finding of one transformation product (TP) of buprofezin in a banana skin sample. This TP was identified by obtaining the full scan product ion spectra at different collision energies with acceptable accurate mass deviation. The work performed in this paper illustrates the suitability and excellent confirmatory potential of LC-QTOF MS for pesticides residues analysis in food samples.

  11. Nuclear reactor with makeup water assist from residual heat removal system

    Science.gov (United States)

    Corletti, Michael M.; Schulz, Terry L.

    1993-01-01

    A pressurized water nuclear reactor uses its residual heat removal system to make up water in the reactor coolant circuit from an in-containment refueling water supply during staged depressurization leading up to passive emergency cooling by gravity feed from the refueling water storage tank, and flooding of the containment building. When depressurization commences due to inadvertence or a manageable leak, the residual heat removal system is activated manually and prevents flooding of the containment when such action is not necessary. Operation of the passive cooling system is not impaired. A high pressure makeup water storage tank is coupled to the reactor coolant circuit, holding makeup coolant at the operational pressure of the reactor. The staged depressurization system vents the coolant circuit to the containment, thus reducing the supply of makeup coolant. The level of makeup coolant can be sensed to trigger opening of successive depressurization conduits. The residual heat removal pumps move water from the refueling water storage tank into the coolant circuit as the coolant circuit is depressurized, preventing reaching the final depressurization stage unless the makeup coolant level continues to drop. The residual heat removal system can also be coupled in a loop with the refueling water supply tank, for an auxiliary heat removal path.

  12. Nuclear reactor with makeup water assist from residual heat removal system

    International Nuclear Information System (INIS)

    Corletti, M.M.; Schulz, T.L.

    1993-01-01

    A pressurized water nuclear reactor uses its residual heat removal system to make up water in the reactor coolant circuit from an in-containment refueling water supply during staged depressurization leading up to passive emergency cooling by gravity feed from the refueling water storage tank, and flooding of the containment building. When depressurization commences due to inadvertence or a manageable leak, the residual heat removal system is activated manually and prevents flooding of the containment when such action is not necessary. Operation of the passive cooling system is not impaired. A high pressure makeup water storage tank is coupled to the reactor coolant circuit, holding makeup coolant at the operational pressure of the reactor. The staged depressurization system vents the coolant circuit to the containment, thus reducing the supply of makeup coolant. The level of makeup coolant can be sensed to trigger opening of successive depressurization conduits. The residual heat removal pumps move water from the refueling water storage tank into the coolant circuit as the coolant circuit is depressurized, preventing reaching the final depressurization stage unless the makeup coolant level continues to drop. The residual heat removal system can also be coupled in a loop with the refueling water supply tank, for an auxiliary heat removal path. 2 figures

  13. Nuclear reactor with makeup water assist from residual heat removal system

    Science.gov (United States)

    Corletti, M.M.; Schulz, T.L.

    1993-12-07

    A pressurized water nuclear reactor uses its residual heat removal system to make up water in the reactor coolant circuit from an in-containment refueling water supply during staged depressurization leading up to passive emergency cooling by gravity feed from the refueling water storage tank, and flooding of the containment building. When depressurization commences due to inadvertence or a manageable leak, the residual heat removal system is activated manually and prevents flooding of the containment when such action is not necessary. Operation of the passive cooling system is not impaired. A high pressure makeup water storage tank is coupled to the reactor coolant circuit, holding makeup coolant at the operational pressure of the reactor. The staged depressurization system vents the coolant circuit to the containment, thus reducing the supply of makeup coolant. The level of makeup coolant can be sensed to trigger opening of successive depressurization conduits. The residual heat removal pumps move water from the refueling water storage tank into the coolant circuit as the coolant circuit is depressurized, preventing reaching the final depressurization stage unless the makeup coolant level continues to drop. The residual heat removal system can also be coupled in a loop with the refueling water supply tank, for an auxiliary heat removal path. 2 figures.

  14. Sampling and sample processing in pesticide residue analysis.

    Science.gov (United States)

    Lehotay, Steven J; Cook, Jo Marie

    2015-05-13

    Proper sampling and sample processing in pesticide residue analysis of food and soil have always been essential to obtain accurate results, but the subject is becoming a greater concern as approximately 100 mg test portions are being analyzed with automated high-throughput analytical methods by agrochemical industry and contract laboratories. As global food trade and the importance of monitoring increase, the food industry and regulatory laboratories are also considering miniaturized high-throughput methods. In conjunction with a summary of the symposium "Residues in Food and Feed - Going from Macro to Micro: The Future of Sample Processing in Residue Analytical Methods" held at the 13th IUPAC International Congress of Pesticide Chemistry, this is an opportune time to review sampling theory and sample processing for pesticide residue analysis. If collected samples and test portions do not adequately represent the actual lot from which they came and provide meaningful results, then all costs, time, and efforts involved in implementing programs using sophisticated analytical instruments and techniques are wasted and can actually yield misleading results. This paper is designed to briefly review the often-neglected but crucial topic of sample collection and processing and put the issue into perspective for the future of pesticide residue analysis. It also emphasizes that analysts should demonstrate the validity of their sample processing approaches for the analytes/matrices of interest and encourages further studies on sampling and sample mass reduction to produce a test portion.

  15. Manual of Standard Operating Procedures for Veterinary Drug Residue Analysis (Spanish Edition)

    International Nuclear Information System (INIS)

    2017-01-01

    Laboratories are crucial to national veterinary drug residue monitoring programmes. However, one of the main challenges laboratories encounter is obtaining access to relevant methods of analysis. Thus, in addition to training, providing technical advice and transferring technology, the Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture has resolved to develop clear and practical manuals to support Member State laboratories. The Coordinated Research Project (CRP) on Development of Radiometric and Allied Analytical Methods to Strengthen Residue Control Programs for Antibiotic and Anthelmintic Veterinary Drug Residues has developed a number of analytical methods as standard operating procedures (SOPs), which are now compiled here. This publication contains SOPs on chromatographic and spectrometric techniques, as well as radioimmunoassay and associated screening techniques, for various anthelmintic and antimicrobial veterinary drug residue analysis. Some analytical method validation protocols are also included. The publication is primarily aimed at food and environmental safety laboratories involved in testing veterinary drug residues, including under organized national residue monitoring programmes. It is expected to enhance laboratory capacity building and competence through the use of radiometric and complementary tools and techniques. The publication is also relevant for applied research on residues of veterinary drugs in food and environmental samples

  16. Manual of Standard Operating Procedures for Veterinary Drug Residue Analysis (French Edition)

    International Nuclear Information System (INIS)

    2017-01-01

    Laboratories are crucial to national veterinary drug residue monitoring programmes. However, one of the main challenges laboratories encounter is obtaining access to relevant methods of analysis. Thus, in addition to training, providing technical advice and transferring technology, the Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture has resolved to develop clear and practical manuals to support Member State laboratories. The Coordinated Research Project (CRP) on Development of Radiometric and Allied Analytical Methods to Strengthen Residue Control Programs for Antibiotic and Anthelmintic Veterinary Drug Residues has developed a number of analytical methods as standard operating procedures (SOPs), which are now compiled here. This publication contains SOPs on chromatographic and spectrometric techniques, as well as radioimmunoassay and associated screening techniques, for various anthelmintic and antimicrobial veterinary drug residue analysis. Some analytical method validation protocols are also included. The publication is primarily aimed at food and environmental safety laboratories involved in testing veterinary drug residues, including under organized national residue monitoring programmes. It is expected to enhance laboratory capacity building and competence through the use of radiometric and complementary tools and techniques. The publication is also relevant for applied research on residues of veterinary drugs in food and environmental samples

  17. [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.

  18. The Method of Validity Evaluation of Hard Coal Excavation in Residual Seam Parts

    Science.gov (United States)

    Wodarski, Krzysztof; Bijańska, Jolanta; Gumiński, Adam

    2017-12-01

    The excavation of residual seam parts should be justified by positive assessment of the purposefulness, technical feasibility and economic effectiveness. The results of the profitability evaluation are crucial in a decision making process. The excavation of residual seam parts, even if it is possible from a technical point of view, should not be implemented if it is economically inefficient or when accompanied by a very high risk of non-recovery of invested capital resources. The article presents the evaluation method of possibilities of excavating hard coal from residual seam parts, and the example of its use in one of collieries in the Upper Silesian Coal Basin. Working in line with the developed method, allows to indicate the variant of residual seam part exploitation, which is feasible to implement from a technical point of view, and which is characterized by the highest economic effectiveness and lowest risk.

  19. Experimental Investigation of Principal Residual Stress and Fatigue Performance for Turned Nickel-Based Superalloy Inconel 718.

    Science.gov (United States)

    Hua, Yang; Liu, Zhanqiang

    2018-05-24

    Residual stresses of turned Inconel 718 surface along its axial and circumferential directions affect the fatigue performance of machined components. However, it has not been clear that the axial and circumferential directions are the principle residual stress direction. The direction of the maximum principal residual stress is crucial for the machined component service life. The present work aims to focuses on determining the direction and magnitude of principal residual stress and investigating its influence on fatigue performance of turned Inconel 718. The turning experimental results show that the principal residual stress magnitude is much higher than surface residual stress. In addition, both the principal residual stress and surface residual stress increase significantly as the feed rate increases. The fatigue test results show that the direction of the maximum principal residual stress increased by 7.4%, while the fatigue life decreased by 39.4%. The maximum principal residual stress magnitude diminished by 17.9%, whereas the fatigue life increased by 83.6%. The maximum principal residual stress has a preponderant influence on fatigue performance as compared to the surface residual stress. The maximum principal residual stress can be considered as a prime indicator for evaluation of the residual stress influence on fatigue performance of turned Inconel 718.

  20. Experimental Investigation of Principal Residual Stress and Fatigue Performance for Turned Nickel-Based Superalloy Inconel 718

    Directory of Open Access Journals (Sweden)

    Yang Hua

    2018-05-01

    Full Text Available Residual stresses of turned Inconel 718 surface along its axial and circumferential directions affect the fatigue performance of machined components. However, it has not been clear that the axial and circumferential directions are the principle residual stress direction. The direction of the maximum principal residual stress is crucial for the machined component service life. The present work aims to focuses on determining the direction and magnitude of principal residual stress and investigating its influence on fatigue performance of turned Inconel 718. The turning experimental results show that the principal residual stress magnitude is much higher than surface residual stress. In addition, both the principal residual stress and surface residual stress increase significantly as the feed rate increases. The fatigue test results show that the direction of the maximum principal residual stress increased by 7.4%, while the fatigue life decreased by 39.4%. The maximum principal residual stress magnitude diminished by 17.9%, whereas the fatigue life increased by 83.6%. The maximum principal residual stress has a preponderant influence on fatigue performance as compared to the surface residual stress. The maximum principal residual stress can be considered as a prime indicator for evaluation of the residual stress influence on fatigue performance of turned Inconel 718.

  1. Nicotinic receptor transduction zone: invariant arginine couples to multiple electron-rich residues.

    Science.gov (United States)

    Mukhtasimova, Nuriya; Sine, Steven M

    2013-01-22

    Gating of the muscle-type acetylcholine receptor (AChR) channel depends on communication between the ACh-binding site and the remote ion channel. A key region for this communication is located within the structural transition zone between the ligand-binding and pore domains. Here, stemming from β-strand 10 of the binding domain, the invariant αArg209 lodges within the hydrophobic interior of the subunit and is essential for rapid and efficient channel gating. Previous charge-reversal experiments showed that the contribution of αArg209 to channel gating depends strongly on αGlu45, also within this region. Here we determine whether the contribution of αArg209 to channel gating depends on additional anionic or electron-rich residues in this region. Also, to reconcile diverging findings in the literature, we compare the dependence of αArg209 on αGlu45 in AChRs from different species, and compare the full agonist ACh with the weak agonist choline. Our findings reveal that the contribution of αArg209 to channel gating depends on additional nearby electron-rich residues, consistent with both electrostatic and steric contributions. Furthermore, αArg209 and αGlu45 show a strong interdependence in both human and mouse AChRs, whereas the functional consequences of the mutation αE45R depend on the agonist. The emerging picture shows a multifaceted network of interdependent residues that are required for communication between the ligand-binding and pore domains. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  2. 1ST-ORDER NONADIABATIC COUPLING MATRIX-ELEMENTS FROM MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD RESPONSE THEORY

    DEFF Research Database (Denmark)

    Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.

    1992-01-01

    A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... to the full configuration interaction limit. Comparisons are made with state-averaged MCSCF results for MgH2 and finite-difference configuration interaction by perturbation with multiconfigurational zeroth-order wave function reflected by interactive process (CIPSI) results for BH....

  3. Wood residue production and utilization research at Virgina Tech

    Energy Technology Data Exchange (ETDEWEB)

    Grace, L.A.; Stuart, W.B.; Sharp, J.C. (Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (US)); Yu Jian-guo (Northeastern Forestry Univ., Harbin (CN))

    1988-01-01

    This paper describes the activities in crushing, drying and segregating wood residues currently underway at Virginia Tech. Experiments with high speed roll crushing as a means of reducing logging residues and small diameter stems to a form suitable for transportation and further processing appear promising. Deflecting whole tree chip streams across a double set of screens coupled with stripping transport air has been shown to reduce bark content and remove fines, bark and grit. Testing and refinement of two prototype sawdust driers is currently under way. Both driers offer increased opportunity for suspension burning and transport. (4 refs., 3 tabs., 3 figs.) (au).

  4. Importance of the content and localization of tyrosine residues for thyroxine formation within the N-terminal part of human thyroglobulin

    NARCIS (Netherlands)

    den Hartog, M. T.; Sijmons, C. C.; Bakker, O.; Ris-Stalpers, C.; de Vijlder, J. J.

    1995-01-01

    Thyroxine (T4) is formed by coupling of iodinated tyrosine residues within thyroglobulin (TG). In mature TG, some iodinated tyrosine residues are involved preferentially in T4 formation. In order to investigate the specific role of various tyrosine residues in T4 formation, N-terminal TG fragments

  5. Suppression and revival of oscillation in indirectly coupled limit cycle oscillators

    International Nuclear Information System (INIS)

    Sharma, P.R.; Kamal, N.K.; Verma, U.K.; Suresh, K.; Thamilmaran, K.; Shrimali, M.D.

    2016-01-01

    Highlights: • The phenomena of suppression and revival of oscillations are studied in indirectly coupled nonlinear oscillators. • The decay parameter and a feedback factor play a crucial role in emergent dynamical behavior of oscillators. • The critical curves for different dynamical regions are obtained analytically using linear stability analysis. • Electronic circuit experiments demonstrate these emergent dynamical states. - Abstract: We study the phenomena of suppression and revival of oscillations in a system of limit cycle oscillators coupled indirectly via a dynamic local environment. The dynamics of the environment is assumed to decay exponentially with time. We show that for appropriate coupling strength, the decay parameter of the environment plays a crucial role in the emergent dynamics such as amplitude death (AD) and oscillation death (OD). We also show that introducing a feedback factor in the diffusion term revives the oscillations in this system. The critical curves for the regions of different emergent states as a function of coupling strength, decay parameter of the environment and feedback factor in the coupling are obtained analytically using linear stability analysis. These results are found to be consistent with the numerics and are also observed experimentally.

  6. Characterization of active-site residues of the NIa protease from tobacco vein mottling virus.

    Science.gov (United States)

    Hwang, D C; Kim, D H; Lee, J S; Kang, B H; Han, J; Kim, W; Song, B D; Choi, K Y

    2000-10-31

    Nuclear inclusion a (NIa) protease of tobacco vein mottling virus is responsible for the processing of the viral polyprotein into functional proteins. In order to identify the active-site residues of the TVMV NIa protease, the putative active-site residues, His-46, Asp-81 and Cys-151, were mutated individually to generate H46R, H46A, D81E, D81N, C151S, and C151A, and their mutational effects on the proteolytic activities were examined. Proteolytic activity was completely abolished by the mutations of H46R, H46A, D81N, and C151A, suggesting that the three residues are crucial for catalysis. The mutation of D81E decreased kcat marginally by about 4.7-fold and increased Km by about 8-fold, suggesting that the aspartic acid at position 81 is important for substrate binding but can be substituted by glutamate without any significant decrease in catalysis. The replacement of Cys-151 by Ser to mimic the catalytic triad of chymotrypsin-like serine protease resulted in the drastic decrease in kcat by about 1,260-fold. This result might be due to the difference of the active-site geometry between the NIa protease and chymotrypsin. The protease exhibited a bell-shaped pH-dependent profile with a maximum activity approximately at pH 8.3 and with the abrupt changes at the respective pKa values of approximately 6.6 and 9.2, implying the involvement of a histidine residue in catalysis. Taken together, these results demonstrate that the three residues, His-46, Asp-81, and Cys-151, play a crucial role in catalysis of the TVMV NIa protease.

  7. Nuclear reactor with makeup water assist from residual heat removal system

    International Nuclear Information System (INIS)

    Schulz, T.L.; Corletti, M.M.

    1994-01-01

    A pressurized water nuclear reactor uses its residual heat removal system to make up water in the reactor coolant circuit by pumping water from an in-containment refueling water storage tank during staged depressurization of the coolant circuit, the final stage including passive emergency cooling by gravity feed from the refueling water storage tank to the coolant circuit and to flood the containment building. When depressurization commences due to inadvertence or a manageable leak, the residual heat removal system is activated manually and avoids the final stage of depressurization with its flooding of the containment when such action is not necessary, but does not prevent the final stage when it is necessary. A high pressure makeup water storage tank coupled to the reactor coolant circuit holds makeup coolant at the operational pressure of the reactor. The staged depressurization system vents the coolant circuit to the containment, thus reducing the supply of makeup coolant. The level of makeup coolant can be sensed to trigger opening of successive depressurization conduits. The residual heat removal system can also be coupled in a loop with the refueling water supply tanks for cooling the tank. (Author)

  8. Identification of Residues in the Lipopolysaccharide ABC Transporter That Coordinate ATPase Activity with Extractor Function.

    Science.gov (United States)

    Simpson, Brent W; Owens, Tristan W; Orabella, Matthew J; Davis, Rebecca M; May, Janine M; Trauger, Sunia A; Kahne, Daniel; Ruiz, Natividad

    2016-10-18

    The surface of most Gram-negative bacteria is covered with lipopolysaccharide (LPS), creating a permeability barrier against toxic molecules, including many antimicrobials. To assemble LPS on their surface, Gram-negative bacteria must extract newly synthesized LPS from the inner membrane, transport it across the aqueous periplasm, and translocate it across the outer membrane. The LptA to -G proteins assemble into a transenvelope complex that transports LPS from the inner membrane to the cell surface. The Lpt system powers LPS transport from the inner membrane by using a poorly characterized ATP-binding cassette system composed of the ATPase LptB and the transmembrane domains LptFG. Here, we characterize a cluster of residues in the groove region of LptB that is important for controlling LPS transport. We also provide the first functional characterization of LptFG and identify their coupling helices that interact with the LptB groove. Substitutions at conserved residues in these coupling helices compromise both the assembly and function of the LptB 2 FG complex. Defects in LPS transport conferred by alterations in the LptFG coupling helices can be rescued by changing a residue in LptB that is adjacent to functionally important residues in the groove region. This suppression is achieved by increasing the ATPase activity of the LptB 2 FG complex. Taken together, these data identify a specific binding site in LptB for the coupling helices of LptFG that is responsible for coupling of ATP hydrolysis by LptB with LptFG function to achieve LPS extraction. Lipopolysaccharide (LPS) is synthesized at the cytoplasmic membrane of Gram-negative bacteria and transported across several compartments to the cell surface, where it forms a barrier that protects these organisms from antibiotics. The LptB 2 FG proteins form an ATP-binding cassette (ABC) transporter that uses energy from ATP hydrolysis in the cytoplasm to facilitate extraction of LPS from the outer face of the

  9. Link prediction via generalized coupled tensor factorisation

    DEFF Research Database (Denmark)

    Ermiş, Beyza; Evrim, Acar Ataman; Taylan Cemgil, A.

    2012-01-01

    and higher-order tensors. We propose to use an approach based on probabilistic interpretation of tensor factorisation models, i.e., Generalised Coupled Tensor Factorisation, which can simultaneously fit a large class of tensor models to higher-order tensors/matrices with com- mon latent factors using...... different loss functions. Numerical experiments demonstrate that joint analysis of data from multiple sources via coupled factorisation improves the link prediction performance and the selection of right loss function and tensor model is crucial for accurately predicting missing links....

  10. Nicotinic Receptor Transduction Zone: Invariant Arginine Couples to Multiple Electron-Rich Residues

    Science.gov (United States)

    Mukhtasimova, Nuriya; Sine, Steven M.

    2013-01-01

    Summary Gating of the muscle-type acetylcholine receptor (AChR) channel depends on communication between the ACh-binding site and the remote ion channel. A key region for this communication is located within the structural transition zone between the ligand-binding and pore domains. Here, stemming from β-strand 10 of the binding domain, the invariant αArg209 lodges within the hydrophobic interior of the subunit and is essential for rapid and efficient channel gating. Previous charge-reversal experiments showed that the contribution of αArg209 to channel gating depends strongly on αGlu45, also within this region. Here we determine whether the contribution of αArg209 to channel gating depends on additional anionic or electron-rich residues in this region. Also, to reconcile diverging findings in the literature, we compare the dependence of αArg209 on αGlu45 in AChRs from different species, and compare the full agonist ACh with the weak agonist choline. Our findings reveal that the contribution of αArg209 to channel gating depends on additional nearby electron-rich residues, consistent with both electrostatic and steric contributions. Furthermore, αArg209 and αGlu45 show a strong interdependence in both human and mouse AChRs, whereas the functional consequences of the mutation αE45R depend on the agonist. The emerging picture shows a multifaceted network of interdependent residues that are required for communication between the ligand-binding and pore domains. PMID:23442857

  11. 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.

  12. Calculation of coupling factor for the heterogeneous accelerating structure

    International Nuclear Information System (INIS)

    Bian Xiaohao; Chen Huaibi; Zheng Shuxin

    2006-01-01

    The converging part of electron accelerator is designed to converge the phase of injecting electrons, improving the beam quality of the accelerator. It is very crucial to calculate the coupling factor between cavities and to design the geometry structure of the coupling irises. By the E module of code MAFIA, the authors calculate the frequency of every single resonant cavity and the two eigenfrequencies of two-cavitiy line. Then we get the coupling factor between the two cavities. This method can be used to design the geometry structure of the coupling isises between every two cavities. Compared to experiment, the results of the method is very accurate. (authors)

  13. Principle of Global Decoupling with Coupling Angle Modulation

    CERN Document Server

    Luo, Yun; Pilat, Fulvia Caterina; Roser, Thomas; Trbojevic, Dejan

    2005-01-01

    The global betatron decoupling on the ramp is an important issue for the operation of the Relativistic Heavy Ion Collider (RHIC). A new scheme coupling phase modulation is found. It introduces a rotating extra coupling into the coupled machine to detect the residual coupling. The eigentune responses are measured with a high resolution phase lock loop (PLL) system. From the minimum and maximum tune splits, the correction strengths are given. The time period occupied by one coupling phase modulation is less than 10 seconds. So it is a very promising solution for the global decoupling on the ramp. In this article the principle of the coupling phase modulation is given. The simulation with the smooth accelerator model is also done. The practical issues concerning its applications are discussed.

  14. Newly identified essential amino acid residues affecting ^8-sphingolipid desaturase activity revealed by site-directed mutagenesis

    Science.gov (United States)

    In order to identify amino acid residues crucial for the enzymatic activity of ^8-sphingolipid desaturases, a sequence comparison was performed among ^8-sphingolipid desaturases and ^6-fatty acid desaturase from various plants. In addition to the known conserved cytb5 (cytochrome b5) HPGG motif and...

  15. Theory of magnetoelectric coupling in 2-2-type magnetostrictive/piezoelectric composite film with texture

    International Nuclear Information System (INIS)

    Liu Chaoqian; Fei Weidong; Li Weili

    2008-01-01

    It is well accepted that textures in polycrystalline films have significant effects on film properties. The magnetoelectric (ME) coupling in a 2-2-type multiferroic composite film was theoretically discussed using Landau-Ginsburg-Devonshire theory, where the influences of dispersive texture and residual stress were considered. As an example, the 2-2-type CoFe 2 O 4 /BaTiO 3 composite film was theoretically analysed, wherein the case of both the magnetostrictive phase and the piezoelectric phase with (0 0 1)-oriented texture was considered. Our results show that the ME coupling is enhanced with the texture degree of the piezoelectric phase and/or the magnitude of the residual tensile stress, but weakened with the magnitude of residual compressive stress. With increasing texture degree of the magnetostrictive phase, the ME coupling is enhanced when the texture degree is smaller than a critical value, but weakened when the texture degree is larger than the critical value

  16. Hydrodynamics of Normal Atomic Gases with Spin-orbit Coupling.

    Science.gov (United States)

    Hou, Yan-Hua; Yu, Zhenhua

    2015-10-20

    Successful realization of spin-orbit coupling in atomic gases by the NIST scheme opens the prospect of studying the effects of spin-orbit coupling on many-body physics in an unprecedentedly controllable way. Here we derive the linearized hydrodynamic equations for the normal atomic gases of the spin-orbit coupling by the NIST scheme with zero detuning. We show that the hydrodynamics of the system crucially depends on the momentum susceptibilities which can be modified by the spin-orbit coupling. We reveal the effects of the spin-orbit coupling on the sound velocities and the dipole mode frequency of the gases by applying our formalism to the ideal Fermi gas. We also discuss the generalization of our results to other situations.

  17. Submillimeter residual losses in high-Tc superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Miller, David [Univ. of California, Berkeley, CA (United States)

    1993-09-01

    Bolometry was used obtain accurate submillimeter residual loss data for epitaxial films of YBa2Cu3O7 (YBCO), Tl2Ca2Ba2Cu3O10, Tl2CaBa2Cu2O8 (TCBCO), and Ba0.6K0.4BiO3 (BKBO). We were able to fit the absorptivity measured for Nb films to an Eliashberg strong coupling calculation; excellent agreement resulted between parameters from best fits and measured Residual Resistivity Ratio. Microwave surface resistance measurements made on the same YBCO and TCBCO films are in excellent agreement with submillimeter measurements. Absorptivities for all YBCO films studied are qualitatively similar, increasing smoothly with frequency, with no gap-like features below the well known absorption edge at 450 cm-1. Losses in YBCO films were fit to a weakly coupled grain model for the a-b plane conductivity. Strong phonon structure was observed in TCBCO films between 60 and 700 cm-1 (2 THz and 23 THz); these losses could not be fitted to the simple weakly coupled grain model, in contrast to the case for other high-Tc superconductors where phonon structure observed in ceramics are is absent in epitaxial oriented films and crystals because of electronic screening due to high conductivity of a-b planes. Absorptivity data for the BKBO films all show a strong absorption onset near the BCS tunneling gap of 3.5 kBTc. Comparison with strong coupling Eliashberg predictions and of a Kramers-Kronig analysis indicate that the absorption onset is consistent with a superconducting energy gap. Effects of magnetic field on residual losses in YBCO films show a resonant absorption feature in vicinity of predicted

  18. Einstein and the "Crucial" Experiment

    Science.gov (United States)

    Holton, Gerald

    1969-01-01

    Examines the widespread view that it was the crucial Michelson-Morley experiment that led Einstein to formulate the special relativity theory. From Einstein's writings, evidence is presented that no such direct genetic connection exists. The author suggests that the historian of science must resist the experimenticist's fallacy of imposing a…

  19. Oxygen-coupled Redox Regulation of the Skeletal Muscle Ryanodine Receptor/Ca2+ Release Channel (RyR1)

    Science.gov (United States)

    Sun, Qi-An; Wang, Benlian; Miyagi, Masaru; Hess, Douglas T.; Stamler, Jonathan S.

    2013-01-01

    In mammalian skeletal muscle, Ca2+ release from the sarcoplasmic reticulum (SR) through the ryanodine receptor/Ca2+-release channel RyR1 can be enhanced by S-oxidation or S-nitrosylation of separate Cys residues, which are allosterically linked. S-Oxidation of RyR1 is coupled to muscle oxygen tension (pO2) through O2-dependent production of hydrogen peroxide by SR-resident NADPH oxidase 4. In isolated SR (SR vesicles), an average of six to eight Cys thiols/RyR1 monomer are reversibly oxidized at high (21% O2) versus low pO2 (1% O2), but their identity among the 100 Cys residues/RyR1 monomer is unknown. Here we use isotope-coded affinity tag labeling and mass spectrometry (yielding 93% coverage of RyR1 Cys residues) to identify 13 Cys residues subject to pO2-coupled S-oxidation in SR vesicles. Eight additional Cys residues are oxidized at high versus low pO2 only when NADPH levels are supplemented to enhance NADPH oxidase 4 activity. pO2-sensitive Cys residues were largely non-overlapping with those identified previously as hyperreactive by administration of exogenous reagents (three of 21) or as S-nitrosylated. Cys residues subject to pO2-coupled oxidation are distributed widely within the cytoplasmic domain of RyR1 in multiple functional domains implicated in RyR1 activity-regulating interactions with the L-type Ca2+ channel (dihydropyridine receptor) and FK506-binding protein 12 as well as in “hot spot” regions containing sites of mutation implicated in malignant hyperthermia and central core disease. pO2-coupled disulfide formation was identified, whereas neither S-glutathionylated nor sulfenamide-modified Cys residues were observed. Thus, physiological redox regulation of RyR1 by endogenously generated hydrogen peroxide is exerted through dynamic disulfide formation involving multiple Cys residues. PMID:23798702

  20. A bidirectional coupling procedure applied to multiscale respiratory modeling

    Science.gov (United States)

    Kuprat, A. P.; Kabilan, S.; Carson, J. P.; Corley, R. A.; Einstein, D. R.

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton's method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a "pressure-drop" residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  1. A bidirectional coupling procedure applied to multiscale respiratory modeling

    Energy Technology Data Exchange (ETDEWEB)

    Kuprat, A.P., E-mail: andrew.kuprat@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Kabilan, S., E-mail: senthil.kabilan@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Carson, J.P., E-mail: james.carson@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Corley, R.A., E-mail: rick.corley@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Einstein, D.R., E-mail: daniel.einstein@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States)

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton’s method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a “pressure-drop” residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD–ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  2. A bidirectional coupling procedure applied to multiscale respiratory modeling

    International Nuclear Information System (INIS)

    Kuprat, A.P.; Kabilan, S.; Carson, J.P.; Corley, R.A.; Einstein, D.R.

    2013-01-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton’s method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a “pressure-drop” residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD–ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  3. Identification of chemical signatures of gunshot residues in different fabrics

    International Nuclear Information System (INIS)

    Freitas, Joao Carlos Dias de

    2010-01-01

    The modern forensic science goes hand in hand with scientific research. The forensic scientists are faced every day with many cases requiring the analysis of residues from firing gun (gunshot residues). This works describes the development of a methodology to determine chemical signatures of shots from a firearm, by measuring the concentrations of Pb, Ba e Sb in the residues from these shots deposited near the entrance hole of bullets, based on the technique with high resolution inductively coupled plasma mass spectrometry (HRICP-MS). Shots were performed on five types of target-fabrics and collected testimonies from regions close to the entrance hole of projectiles. The results showed that the method enabled us to identify and distinguish the residues of the .38 caliber revolver and pistols .40 and 9mm caliber. The use of ternary graphs as a tool for data analysis helped to identify specific patterns of distribution of blank samples and gunshot residues deposited after firing revolvers and pistols. The methodology enabled the assignment of the origin of the shot through the confirmation of the residues collected also from the hands of shooters. As a result the methodology in police procedures and aims to add a valuable contribution to forensic investigations. (author)

  4. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    International Nuclear Information System (INIS)

    Xia, Yi; Zhang, Hua; Phoungthong, Khamphe; Shi, Dong-Xiao; Shen, Wen-Hui; Shao, Li-Ming; He, Pin-Jing

    2015-01-01

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO 3 was the most sensitive to leaching temperature and Ca 3 (PO 4 ) 2 was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO 3 and Ca 3 (PO 4 ) 2 respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO 3 and CaSiO 3 began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca 3 (PO 4 ) 2 leached at pH < 12. CaSO 4 could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO 3 > Ca 3 (PO 4 ) 2 > CaCO 3 . The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO 3 and Ca 3 (PO 4 ) 2 leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the theoretical basis for the risk assessment pertaining to LCS clogging in landfills

  5. Calculation of coupling factor for double-period accelerating structure

    International Nuclear Information System (INIS)

    Bian Xiaohao; Chen Huaibi; Zheng Shuxin

    2005-01-01

    In the design of the linear accelerating structure, the coupling factor between cavities is a crucial parameter. The error of coupling factor accounts for the electric or magnetic field error mainly. To accurately design the coupling iris, the accurate calculation of coupling factor is essential. The numerical simulation is widely used to calculate the coupling factor now. By using MAFIA code, two methods have been applied to calculate the dispersion characteristics of the single-period structure, one method is to simulate the traveling wave mode by the period boundary condition; another method is to simulate the standing wave mode by the electrical boundary condition. In this work, the authors develop the two methods to calculate the coupling factor of double-period accelerating structure. Compared to experiment, the results for both methods are very similar, and in agreement with measurement within 15% deviation. (authors)

  6. Persistent Organochlorine Pesticide Residues in Some Selected Cocoa Beverages in Nigeria

    Directory of Open Access Journals (Sweden)

    Olayinka A. Ibigbami

    2017-12-01

    Full Text Available This study evaluates the quality of the cocoa beverages produced in Nigeria with respect to the occurrence and levels of organochlorine pesticides OCPs residues in order to ascertain the potential health risks to the general public. Seven cocoa-based beverages were analysed for 17 OCP residues using gas chromatography coupled with an Electron Captured Detector (GC-ECD after extraction and silica-gel clean-up. The study reveals the presence of ten OCP residues in the cocoa beverages, with a concentration range from not detected ND—0.256 mg/kg, while α-BHC, β-BHC, methoxychlor, p,p′-DDE, dieldrin, endrin aldehyde, and endosulfan sulphate were not detected in any of the analysed samples. The contamination pattern of OCPs in the beverages was in the following order: Ovaltine > Milo > Cadbury-choco > Bournvita > Cowbell-coffee > Richoco > Oluji, with p,p′-DDT being the most frequently found pesticide. Heptachlor and endosulfan II showeda residual level above the European Union (EU Maximum Residual Limits (MRLs in only one sample.

  7. Electronic coupling through natural amino acids

    Energy Technology Data Exchange (ETDEWEB)

    Berstis, Laura; Beckham, Gregg T., E-mail: michael.crowley@nrel.gov, E-mail: gregg.beckham@nrel.gov; Crowley, Michael F., E-mail: michael.crowley@nrel.gov, E-mail: gregg.beckham@nrel.gov [National Renewable Energy Laboratory, National Bioenergy Center, 15013 Denver West Pkwy, Golden, Colorado 80401 (United States)

    2015-12-14

    Myriad scientific domains concern themselves with biological electron transfer (ET) events that span across vast scales of rate and efficiency through a remarkably fine-tuned integration of amino acid (AA) sequences, electronic structure, dynamics, and environment interactions. Within this intricate scheme, many questions persist as to how proteins modulate electron-tunneling properties. To help elucidate these principles, we develop a model set of peptides representing the common α-helix and β-strand motifs including all natural AAs within implicit protein-environment solvation. Using an effective Hamiltonian strategy with density functional theory, we characterize the electronic coupling through these peptides, furthermore considering side-chain dynamics. For both motifs, predictions consistently show that backbone-mediated electronic coupling is distinctly sensitive to AA type (aliphatic, polar, aromatic, negatively charged and positively charged), and to side-chain orientation. The unique properties of these residues may be employed to design activated, deactivated, or switch-like superexchange pathways. Electronic structure calculations and Green’s function analyses indicate that localized shifts in the electron density along the peptide play a role in modulating these pathways, and further substantiate the experimentally observed behavior of proline residues as superbridges. The distinct sensitivities of tunneling pathways to sequence and conformation revealed in this electronic coupling database help improve our fundamental understanding of the broad diversity of ET reactivity and provide guiding principles for peptide design.

  8. Quenching oscillating behaviors in fractional coupled Stuart-Landau oscillators

    Science.gov (United States)

    Sun, Zhongkui; Xiao, Rui; Yang, Xiaoli; Xu, Wei

    2018-03-01

    Oscillation quenching has been widely studied during the past several decades in fields ranging from natural sciences to engineering, but investigations have so far been restricted to oscillators with an integer-order derivative. Here, we report the first study of amplitude death (AD) in fractional coupled Stuart-Landau oscillators with partial and/or complete conjugate couplings to explore oscillation quenching patterns and dynamics. It has been found that the fractional-order derivative impacts the AD state crucially. The area of the AD state increases along with the decrease of the fractional-order derivative. Furthermore, by introducing and adjusting a limiting feedback factor in coupling links, the AD state can be well tamed in fractional coupled oscillators. Hence, it provides one an effective approach to analyze and control the oscillating behaviors in fractional coupled oscillators.

  9. Collection of trace evidence of explosive residues from the skin in a death due to a disguised letter bomb. The synergy between confocal laser scanning microscope and inductively coupled plasma atomic emission spectrometer analyses.

    Science.gov (United States)

    Turillazzi, Emanuela; Monaci, Fabrizio; Neri, Margherita; Pomara, Cristoforo; Riezzo, Irene; Baroni, Davide; Fineschi, Vittorio

    2010-04-15

    In most deaths caused by explosive, the victim's body becomes a depot for fragments of explosive materials, so contributing to the collection of trace evidence which may provide clues about the specific type of device used with explosion. Improvised explosive devices are used which contain "homemade" explosives rather than high explosives because of the relative ease with which such components can be procured. Many methods such as chromatography-mass spectrometry, scanning electron microscopy, stereomicroscopy, capillary electrophoresis are available for use in the identification of explosive residues on objects and bomb fragments. Identification and reconstruction of the distribution of explosive residues on the decedent's body may give additional hints in assessing the position of the victim in relation to the device. Traditionally these residues are retrieved by swabbing the body and clothing during the early phase, at autopsy. Gas chromatography-mass spectrometry and other analytical methods may be used to analyze the material swabbed from the victim body. The histological examination of explosive residues on skin samples collected during the autopsy may reveal significant details. The information about type, quantity and particularly about anatomical distribution of explosive residues obtained utilizing confocal laser scanning microscope (CLSM) together with inductively coupled plasma atomic emission spectrometer (ICP-AES), may provide very significant evidence in the clarification and reconstruction of the explosive-related events. Copyright 2009 Elsevier Ireland Ltd. All rights reserved.

  10. Removal of six pesticide residues in cowpea with alkaline electrolysed water.

    Science.gov (United States)

    Han, Yongtao; Song, Le; An, Quanshun; Pan, Canping

    2017-06-01

    Reduction of six pesticide residues (isoprocarb, chlorpyrifos, bifenthrin, beta-cypermethrin, difenoconazole and azoxystrobin) in cowpea by alkaline electrolysed water (AlEW) solutions with different pH was investigated. The commonly used washing treatments in household processing were used for comparison. The residue magnitudes were determined by gas chromatography coupled with tandem mass spectrometry (GC-MS/MS). Results showed that the removal effect of AlEW solution on the six pesticides was superior to tap water, 5% sodium chloride, 5% sodium carbonate and 5% acetic acid solution. AlEW with pH 12.2 had more potential to eliminate the six pesticides in cowpeas. Moreover, the reduction of pesticide residues gradually increased with the increase of washing time. This study demonstrated that AlEW solution with pH of 12.2 could be used to reduce pesticide residues on fresh cowpea samples. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  11. Quadratic residues and non-residues selected topics

    CERN Document Server

    Wright, Steve

    2016-01-01

    This book offers an account of the classical theory of quadratic residues and non-residues with the goal of using that theory as a lens through which to view the development of some of the fundamental methods employed in modern elementary, algebraic, and analytic number theory. The first three chapters present some basic facts and the history of quadratic residues and non-residues and discuss various proofs of the Law of Quadratic Reciprosity in depth, with an emphasis on the six proofs that Gauss published. The remaining seven chapters explore some interesting applications of the Law of Quadratic Reciprocity, prove some results concerning the distribution and arithmetic structure of quadratic residues and non-residues, provide a detailed proof of Dirichlet’s Class-Number Formula, and discuss the question of whether quadratic residues are randomly distributed. The text is a valuable resource for graduate and advanced undergraduate students as well as for mathematicians interested in number theory.

  12. Engineering a horseradish peroxidase C stable to radical attacks by mutating multiple radical coupling sites.

    Science.gov (United States)

    Kim, Su Jin; Joo, Jeong Chan; Song, Bong Keun; Yoo, Young Je; Kim, Yong Hwan

    2015-04-01

    Peroxidases have great potential as industrial biocatalysts. In particular, the oxidative polymerization of phenolic compounds catalyzed by peroxidases has been extensively examined because of the advantage of this method over other conventional chemical methods. However, the industrial application of peroxidases is often limited because of their rapid inactivation by phenoxyl radicals during oxidative polymerization. In this work, we report a novel protein engineering approach to improve the radical stability of horseradish peroxidase isozyme C (HRPC). Phenylalanine residues that are vulnerable to modification by the phenoxyl radicals were identified using mass spectrometry analysis. UV-Vis and CD spectra showed that radical coupling did not change the secondary structure or the active site of HRPC. Four phenylalanine (Phe) residues (F68, F142, F143, and F179) were each mutated to alanine residues to generate single mutants to examine the role of these sites in radical coupling. Despite marginal improvement of radical stability, each single mutant still exhibited rapid radical inactivation. To further reduce inactivation by radical coupling, the four substitution mutations were combined in F68A/F142A/F143A/F179A. This mutant demonstrated dramatic enhancement of radical stability by retaining 41% of its initial activity compared to the wild-type, which was completely inactivated. Structure and sequence alignment revealed that radical-vulnerable Phe residues of HPRC are conserved in homologous peroxidases, which showed the same rapid inactivation tendency as HRPC. Based on our site-directed mutagenesis and biochemical characterization, we have shown that engineering radical-vulnerable residues to eliminate multiple radical coupling can be a good strategy to improve the stability of peroxidases against radical attack. © 2014 Wiley Periodicals, Inc.

  13. On the relationship between residue structural environment and sequence conservation in proteins.

    Science.gov (United States)

    Liu, Jen-Wei; Lin, Jau-Ji; Cheng, Chih-Wen; Lin, Yu-Feng; Hwang, Jenn-Kang; Huang, Tsun-Tsao

    2017-09-01

    Residues that are crucial to protein function or structure are usually evolutionarily conserved. To identify the important residues in protein, sequence conservation is estimated, and current methods rely upon the unbiased collection of homologous sequences. Surprisingly, our previous studies have shown that the sequence conservation is closely correlated with the weighted contact number (WCN), a measure of packing density for residue's structural environment, calculated only based on the C α positions of a protein structure. Moreover, studies have shown that sequence conservation is correlated with environment-related structural properties calculated based on different protein substructures, such as a protein's all atoms, backbone atoms, side-chain atoms, or side-chain centroid. To know whether the C α atomic positions are adequate to show the relationship between residue environment and sequence conservation or not, here we compared C α atoms with other substructures in their contributions to the sequence conservation. Our results show that C α positions are substantially equivalent to the other substructures in calculations of various measures of residue environment. As a result, the overlapping contributions between C α atoms and the other substructures are high, yielding similar structure-conservation relationship. Take the WCN as an example, the average overlapping contribution to sequence conservation is 87% between C α and all-atom substructures. These results indicate that only C α atoms of a protein structure could reflect sequence conservation at the residue level. © 2017 Wiley Periodicals, Inc.

  14. Crucial test of the Dirac cosmologies

    International Nuclear Information System (INIS)

    Steigman, G.

    1978-01-01

    In a cosmology consistent with the Cosmological Principle (large scale, statistical isotropy and homogeneity of the universe), a Planck spectrum is not preserved as the universe evolves unless the number of photons in a comoving volume is conserved. It is shown that a large class of cosmological models based on Dirac's Large Numbers Hypothesis (LNH) violate this constraint. The observed isotropy and spectral distribution of the microwave background radiation thus provide a crucial test of such cosmologies. After reviewing the LNH, the general evolution of radiation spectra in cosmologies consistent with the cosmological principle is outlined. It is shown that the predicted deviations from a Planck spectrum for Dirac cosmologies (as well as for ''tired-light'' cosmologies) are enormous. The Planckian (or near-Planckian) spectral form for the microwave radiation provides a crucial test, failed by such cosmologies

  15. Early Universe Higgs dynamics in the presence of the Higgs-inflaton and non-minimal Higgs-gravity couplings

    Energy Technology Data Exchange (ETDEWEB)

    Ema, Yohei [Department of Physics, Faculty of Science, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Karčiauskas, Mindaugas [University of Jyväskylä, Department of Physics, P.O. Box 35 (YFL), FI-40014, Jyväskylä (Finland); Lebedev, Oleg; Zatta, Marco, E-mail: ema@hep-th.phys.s.u-tokyo.ac.jp, E-mail: mindaugas.m.karciauskas@jyu.fi, E-mail: oleg.lebedev@helsinki.fi, E-mail: marco.zatta@helsinki.fi [University of Helsinki and Helsinki Institute of Physics, P.O. Box 64, FI-00014, Helsinki (Finland)

    2017-06-01

    Apparent metastability of the electroweak vacuum poses a number of cosmological questions. These concern evolution of the Higgs field to the current vacuum, and its stability during and after inflation. Higgs-inflaton and non-minimal Higgs-gravity interactions can make a crucial impact on these considerations potentially solving the problems. In this work, we allow for these couplings to be present simultaneously and study their interplay. We find that different combinations of the Higgs-inflaton and non-minimal Higgs-gravity couplings induce effective Higgs mass during and after inflation. This crucially affects the Higgs stability considerations during preheating. In particular, a wide range of the couplings leading to stable solutions becomes allowed.

  16. Effects of oil and oil burn residues on seabird feathers

    DEFF Research Database (Denmark)

    Fritt-Rasmussen, Janne; Linnebjerg, Jannie Fries; Sørensen, Martin X.

    2016-01-01

    It is well known, that in case of oil spill, seabirds are among the groups of animals most vulnerable. Even small amounts of oil can have lethal effects by destroying the waterproofing of their plumage, leading to loss of insulation and buoyancy. In the Arctic these impacts are intensified....... To protect seabirds, a rapid removal of oil is crucial and in situ burning could be an efficient method. In the present work exposure effects of oil and burn residue in different doses was studied on seabird feathers from legally hunted Common eider (Somateria mollissima) by examining changes in total weight...... of the feather and damages on the microstructure (Amalgamation Index) of the feathers before and after exposure. The results of the experiments indicate that burn residues from in situ burning of an oil spill have similar or larger fouling and damaging effects on seabird feathers, as compared to fresh oil....

  17. Structure of calmodulin complexed with an olfactory CNG channel fragment and role of the central linker: Residual dipolar couplings to evaluate calmodulin binding modes outside the kinase family

    International Nuclear Information System (INIS)

    Contessa, Gian Marco; Orsale, Maria; Melino, Sonia; Torre, Vincent; Paci, Maurizio; Desideri, Alessandro; Cicero, Daniel O.

    2005-01-01

    The NMR high-resolution structure of calmodulin complexed with a fragment of the olfactory cyclic-nucleotide gated channel is described. This structure shows features that are unique for this complex, including an active role of the linker connecting the N- and C-lobes of calmodulin upon binding of the peptide. Such linker is not only involved in the formation of an hydrophobic pocket to accommodate a bulky peptide residue, but it also provides a positively charged region complementary to a negative charge of the target. This complex of calmodulin with a target not belonging to the kinase family was used to test the residual dipolar coupling (RDC) approach for the determination of calmodulin binding modes to peptides. Although the complex here characterized belongs to the (1--14) family, high Q values were obtained with all the 1:1 complexes for which crystalline structures are available. Reduction of the RDC data set used for the correlation analysis to structured regions of the complex allowed a clear identification of the binding mode. Excluded regions comprise calcium binding loops and loops connecting the EF-hand motifs

  18. Influence of residual stress on diffusion-induced bending in bilayered microcantilever sensors

    International Nuclear Information System (INIS)

    Xuan Fuzhen; Shao Shanshan; Wang Zhengdong; Tu Shantung

    2010-01-01

    The influence of residual stress on diffusion-induced bending in bilayered microcantilever sensors has been analyzed under the framework of thermodynamic theory and Fick's second law. A self-consistent diffusion equation involving the coupling effects of residual stress and diffusion-induced stress is developed. Effects of thickness ratio, modulus ratio, diffusivity ratio and residual stress gradient of film and substrate on the curvature of bilayered cantilever are then discussed with the help of finite difference method. Results reveal that the curvature of bilayered cantilever increases with decreasing the diffusivity ratio and modulus ratio of substrate to film at a given time. Case study of the polysilicon/palladium hydrogen sensor has been finally carried out using the above developed bending theory.

  19. Potential ligand-binding residues in rat olfactory receptors identified by correlated mutation analysis

    Science.gov (United States)

    Singer, M. S.; Oliveira, L.; Vriend, G.; Shepherd, G. M.

    1995-01-01

    A family of G-protein-coupled receptors is believed to mediate the recognition of odor molecules. In order to identify potential ligand-binding residues, we have applied correlated mutation analysis to receptor sequences from the rat. This method identifies pairs of sequence positions where residues remain conserved or mutate in tandem, thereby suggesting structural or functional importance. The analysis supported molecular modeling studies in suggesting several residues in positions that were consistent with ligand-binding function. Two of these positions, dominated by histidine residues, may play important roles in ligand binding and could confer broad specificity to mammalian odor receptors. The presence of positive (overdominant) selection at some of the identified positions provides additional evidence for roles in ligand binding. Higher-order groups of correlated residues were also observed. Each group may interact with an individual ligand determinant, and combinations of these groups may provide a multi-dimensional mechanism for receptor diversity.

  20. Numerical simulation of residual stress in laser based additive manufacturing process

    Science.gov (United States)

    Kalyan Panda, Bibhu; Sahoo, Seshadev

    2018-03-01

    Minimizing the residual stress build-up in metal-based additive manufacturing plays a pivotal role in selecting a particular material and technique for making an industrial part. In beam-based additive manufacturing, although a great deal of effort has been made to minimize the residual stresses, it is still elusive how to do so by simply optimizing the processing parameters, such as beam size, beam power, and scan speed. Amid different types of additive manufacturing processes, Direct Metal Laser Sintering (DMLS) process uses a high-power laser to melt and sinter layers of metal powder. The rapid solidification and heat transfer on powder bed endows a high cooling rate which leads to the build-up of residual stresses, that will affect the mechanical properties of the build parts. In the present work, the authors develop a numerical thermo-mechanical model for the measurement of residual stress in the AlSi10Mg build samples by using finite element method. Transient temperature distribution in the powder bed was assessed using the coupled thermal to structural model. Subsequently, the residual stresses were estimated with varying laser power. From the simulation result, it found that the melt pool dimensions increase with increasing the laser power and the magnitude of residual stresses in the built part increases.

  1. Coevolving residues of (beta/alpha)(8)-barrel proteins play roles in stabilizing active site architecture and coordinating protein dynamics.

    Science.gov (United States)

    Shen, Hongbo; Xu, Feng; Hu, Hairong; Wang, Feifei; Wu, Qi; Huang, Qiang; Wang, Honghai

    2008-12-01

    Indole-3-glycerol phosphate synthase (IGPS) is a representative of (beta/alpha)(8)-barrel proteins-the most common enzyme fold in nature. To better understand how the constituent amino-acids work together to define the structure and to facilitate the function, we investigated the evolutionary and dynamical coupling of IGPS residues by combining statistical coupling analysis (SCA) and molecular dynamics (MD) simulations. The coevolving residues identified by the SCA were found to form a network which encloses the active site completely. The MD simulations showed that these coevolving residues are involved in the correlated and anti-correlated motions. The correlated residues are within van der Waals contact and appear to maintain the active site architecture; the anti-correlated residues are mainly distributed on opposite sides of the catalytic cavity and coordinate the motions likely required for the substrate entry and product release. Our findings might have broad implications for proteins with the highly conserved (betaalpha)(8)-barrel in assessing the roles of amino-acids that are moderately conserved and not directly involved in the active site of the (beta/alpha)(8)-barrel. The results of this study could also provide useful information for further exploring the specific residue motions for the catalysis and protein design based on the (beta/alpha)(8)-barrel scaffold.

  2. iDC: A comprehensive toolkit for the analysis of residual dipolar couplings for macromolecular structure determination

    International Nuclear Information System (INIS)

    Wei Yufeng; Werner, Milton H.

    2006-01-01

    Measurement of residual dipolar couplings (RDCs) has become an important method for the determination and validation of protein or nucleic acid structures by NMRf spectroscopy. A number of toolkits have been devised for the handling of RDC data which run in the Linux/Unix operating environment and require specifically formatted input files. The outputs from these programs, while informative, require format modification prior to the incorporation of this data into commonly used personal computer programs for manuscript preparation. To bridge the gap between analysis and publication, an easy-to-use, comprehensive toolkit for RDC analysis has been created, iDC. iDC is written for the WaveMetrics Igor Pro mathematics program, a widely used graphing and data analysis software program that runs on both Windows PC and Mac OS X computers. Experimental RDC values can be loaded into iDC using simple data formats accessible to Igor's tabular data function. The program can perform most useful RDC analyses, including alignment tensor estimation from a histogram of RDC occurrence versus values and order tensor analysis by singular value decomposition (SVD). SVD analysis can be performed on an entire structure family at once, a feature missing in other applications of this kind. iDC can also import from and export to several different commonly used programs for the analysis of RDC data (DC, PALES, REDCAT) and can prepare formatted files for RDC-based refinement of macromolecular structures using XPLOR-NIH, CNS and ARIA. The graphical user interface provides an easy-to-use I/O for data, structures and formatted outputs

  3. Spatially coupled LDPC coding in cooperative wireless networks

    NARCIS (Netherlands)

    Jayakody, D.N.K.; Skachek, V.; Chen, B.

    2016-01-01

    This paper proposes a novel technique of spatially coupled low-density parity-check (SC-LDPC) code-based soft forwarding relaying scheme for a two-way relay system. We introduce an array-based optimized SC-LDPC codes in relay channels. A more precise model is proposed to characterize the residual

  4. Reliability assessment of underground pipelines under the combined effect of active corrosion and residual stress

    International Nuclear Information System (INIS)

    Amirat, A.; Mohamed-Chateauneuf, A.; Chaoui, K.

    2006-01-01

    Lifetime management of underground pipelines is mandatory for safe hydrocarbon transmission and distribution systems. Reliability analysis is recognized as a powerful decision-making tool for risk-based design and maintenance. Both the residual stresses generated during the manufacturing process and in-service corrosion reduce the ability to resist internal and external loading. In this study, the residual stress distribution in large diameter pipes has been characterized experimentally in order to be coupled with the corrosion model. During the pipe lifetime, residual stress relaxation occurs due to the loss of pipe thickness as material layers are consumed by corrosion. The reliability-based assessment of residual stress effects is applied to underground pipelines under a roadway, with and without active corrosion. It has been found that the residual stress greatly increases the failure probability, especially in the early stage of the pipe lifetime

  5. Qualitative screening method for pesticide residues detection in fruits and vegetables

    Directory of Open Access Journals (Sweden)

    Iván Mauricio Huérfano Barco

    2018-01-01

    Full Text Available Because of the importance of developing methodologies that allow agricultural residues analysis, a rapid screening qualitative method for the determination of pesticides residues in fruits and vegetables was validated. The methodology was based on the European QuEChERS extraction method with an additional cleaning step by gel permeation chromatography (GPC, which helped to reduce the number of matrix components in the final extract. The analysis was carried out by gas chromatography coupled to mass spectrometry with a single quadrupole analyzer. The methodology was appropriate for the qualitative analysis of 31 pesticides at their respective maximum residue limits. Consistent results were obtained with respect to a quantitative routine methodology in the analysis of real samples, hence the methodology was proven to be a good alternative for the fast analysis of these contaminants in fruits and vegetables.

  6. Catalytic mechanisms of direct pyrrole synthesis via dehydrogenative coupling mediated by PNP-Ir or PNN-Ru pincer complexes: Crucial role of proton-transfer shuttles in the PNP-Ir system

    KAUST Repository

    Qu, Shuanglin

    2014-04-02

    Kempe et al. and Milstein et al. have recently advanced the dehydrogenative coupling methodology to synthesize pyrroles from secondary alcohols (e.g., 3) and β-amino alcohols (e.g., 4), using PNP-Ir (1) and PNN-Ru (2) pincer complexes, respectively. We herein present a DFT study to characterize the catalytic mechanism of these reactions. After precatalyst activation to give active 1A/2A, the transformation proceeds via four stages: 1A/2A-catalyzed alcohol (3) dehydrogenation to give ketone (11), base-facilitated C-N coupling of 11 and 4 to form an imine-alcohol intermediate (18), base-promoted cyclization of 18, and catalyst regeneration via H2 release from 1R/2R. For alcohol dehydrogenations, the bifunctional double hydrogen-transfer pathway is more favorable than that via β-hydride elimination. Generally, proton-transfer (H-transfer) shuttles facilitate various H-transfer processes in both systems. Notwithstanding, H-transfer shuttles play a much more crucial role in the PNP-Ir system than in the PNN-Ru system. Without H-transfer shuttles, the key barriers up to 45.9 kcal/mol in PNP-Ir system are too high to be accessible, while the corresponding barriers (<32.0 kcal/mol) in PNN-Ru system are not unreachable. Another significant difference between the two systems is that the addition of alcohol to 1A giving an alkoxo complex is endergonic by 8.1 kcal/mol, whereas the addition to 2A is exergonic by 8.9 kcal/mol. The thermodynamic difference could be the main reason for PNP-Ir system requiring lower catalyst loading than the PNN-Ru system. We discuss how the differences are resulted in terms of electronic and geometric structures of the catalysts and how to use the features in catalyst development. © 2014 American Chemical Society.

  7. On coupling fluid plasma and kinetic neutral physics models

    Directory of Open Access Journals (Sweden)

    I. Joseph

    2017-08-01

    Full Text Available The coupled fluid plasma and kinetic neutral physics equations are analyzed through theory and simulation of benchmark cases. It is shown that coupling methods that do not treat the coupling rates implicitly are restricted to short time steps for stability. Fast charge exchange, ionization and recombination coupling rates exist, even after constraining the solution by requiring that the neutrals are at equilibrium. For explicit coupling, the present implementation of Monte Carlo correlated sampling techniques does not allow for complete convergence in slab geometry. For the benchmark case, residuals decay with particle number and increase with grid size, indicating that they scale in a manner that is similar to the theoretical prediction for nonlinear bias error. Progress is reported on implementation of a fully implicit Jacobian-free Newton–Krylov coupling scheme. The present block Jacobi preconditioning method is still sensitive to time step and methods that better precondition the coupled system are under investigation.

  8. Presynaptic signal transduction pathways that modulate synaptic transmission

    NARCIS (Netherlands)

    de Jong, A.P.H.; Verhage, M.

    2009-01-01

    Presynaptic modulation is a crucial factor in the adaptive capacity of the nervous system. The coupling between incoming action potentials and neurotransmitter secretion is modulated by firstly, recent activity of the presynaptic axon that leads to the accumulation of residual calcium in the

  9. Microstructure and temperature dependence of intergranular strains on diffractometric macroscopic residual stress analysis

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, J.N., E-mail: Julia.Wagner@kit.edu [KNMF, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Hofmann, M. [Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRM II), TU München, Lichtenbergstr. 1, 85747 Garching (Germany); Wimpory, R. [Helmholtz-Zentrum Berlin für Materialien und Energie, D-14109 Berlin Wannsee (Germany); Krempaszky, C. [Christian-Doppler-Labor für Werkstoffmechanik von Hochleistungslegierungen, TU München, Boltzmannstr. 15, 85747 Garching (Germany); Lehrstuhl für Werkstoffkunde und Werkstoffmechanik, TU München, Boltzmannstr. 15, 85747 Garching (Germany); Stockinger, M. [Böhler Schmiedetechnik GmbH and Co KG, Mariazeller Straße 25, 8605 Kapfenberg (Austria)

    2014-11-17

    Knowledge of the macroscopic residual stresses in components of complex high performance alloys is crucial when it comes to considering the safety and manufacturing aspects of components. Diffraction experiments are one of the key methods for studying residual stresses. However a component of the residual strain determined by diffraction experiments, known as microstrain or intergranular residual strain, occurs over the length scale of the grains and thus plays only a minor role for the life time of such components. For the reliable determination of macroscopic strains (with the minimum influence of these intergranular residual strains), the ISO standard recommends the use of particular Bragg reflections. Here we compare the build-up of intergranular strain of two different precipitation hardened IN 718 (INCONEL 718) samples, with identical chemical composition. Since intergranular strains are also affected by temperature, results from room temperature measurement are compared to results at T=550 °C. It turned out that microstructural parameters, such as grain size or type of precipitates, have a larger effect on the intergranular strain evolution than the influence of temperature at the measurement temperature of T=550 °C. The results also show that the choice of Bragg reflections for the diffractometric residual stress analysis is dependent not only on its chemical composition, but also on the microstructure of the sample. In addition diffraction elastic constants (DECs) for all measured Bragg reflections are given.

  10. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Yi [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Zhang, Hua, E-mail: zhanghua_tj@tongji.edu.cn [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Phoungthong, Khamphe [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Shi, Dong-Xiao; Shen, Wen-Hui [Changzhou Domestic Waste Treatment Center, Changzhou 213000 (China); Shao, Li-Ming [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China); He, Pin-Jing, E-mail: solidwaste@tongji.edu.cn [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China)

    2015-08-15

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO{sub 3} was the most sensitive to leaching temperature and Ca{sub 3}(PO{sub 4}){sub 2} was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO{sub 3} and CaSiO{sub 3} began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca{sub 3}(PO{sub 4}){sub 2} leached at pH < 12. CaSO{sub 4} could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO{sub 3} > Ca{sub 3}(PO{sub 4}){sub 2} > CaCO{sub 3}. The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the

  11. Dominant and marginalized discourses in interracial couples' narratives: implications for family therapists.

    Science.gov (United States)

    Killian, Kyle D

    2002-01-01

    This study explores inter-racial couples' family histories, their experiences of their life together, and the dominant and subordinate discourses employed in negotiating racial and ethnic differences. Ten black-white couples were interviewed individually and conjointly. Dominant discourses that emerged from the couples' narratives included those of homogamy, hypersensitivity of persons of color, and the insignificance of familial and societal history. Interracial partners also simultaneously subverted these prevailing ideologies by voicing experience associated with life at the margins of the society. Dominant and subordinate dicourses used by therapists and interracial couples in the therapy room are examined to integrate marginalized "truths" crucial to effective work with interracial couples and persons of color.

  12. Concerted motions in HIV-1 TAR RNA may allow access to bound state conformations: RNA dynamics from NMR residual dipolar couplings.

    Science.gov (United States)

    Al-Hashimi, Hashim M; Gosser, Yuying; Gorin, Andrey; Hu, Weidong; Majumdar, Ananya; Patel, Dinshaw J

    2002-01-11

    Ground-state dynamics in RNA is a critical precursor for structural adaptation observed ubiquitously in protein-RNA recognition. A tertiary conformational analysis of the stem-loop structural element in the transactivation response element (TAR) from human immunodeficiency virus type 1 (HIV-I) RNA is presented using recently introduced NMR methods that rely on the measurement of residual dipolar couplings (RDC) in partially oriented systems. Order matrix analysis of RDC data provides evidence for inter-helical motions that are of amplitude 46(+/-4) degrees, of random directional character, and that are executed about an average conformation with an inter-helical angle between 44 degrees and 54 degrees. The generated ensemble of TAR conformations have different organizations of functional groups responsible for interaction with the trans-activator protein Tat, including conformations similar to the previously characterized bound-state conformation. These results demonstrate the utility of RDC-NMR for simultaneously characterizing RNA tertiary dynamics and average conformation, and indicate an avenue for TAR complex formation involving tertiary structure capture. Copyright 2001 Academic Press.

  13. Comparison of sample digestion techniques for the determination of trace and residual catalyst metal content in single-wall carbon nanotubes by inductively coupled plasma mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Grinberg, Patricia, E-mail: patricia.grinberg@nrc.ca [Measurement Science and Standards, National Research Council Canada, Ottawa (Canada); Sturgeon, Ralph E. [Measurement Science and Standards, National Research Council Canada, Ottawa (Canada); Diehl, Liange de O.; Bizzi, Cezar A. [Measurement Science and Standards, National Research Council Canada, Ottawa (Canada); Chemistry Department, Universidade Federal de Santa Maria, Santa Maria (Brazil); Flores, Erico M.M. [Chemistry Department, Universidade Federal de Santa Maria, Santa Maria (Brazil)

    2015-03-01

    A single-wall carbon nanotube material produced by laser ablation of renewable biochar in the presence of Ni and Co catalyst was characterized for residual catalyst (Co and Ni) as well as trace metal impurity content (Fe, Mo, Cr, Pb and Hg) by isotope dilution ICP-MS following sample digestion. Several matrix destruction procedures were evaluated, including a multi-step microwave-assisted acid digestion, dry ashing at 450 °C and microwave-induced combustion with oxygen. Results were benchmarked against those derived from neutron activation analysis and also supported by solid sampling continuum source GF-AAS for several of the elements. Although laborious to execute, the multi-step microwave-assisted acid digestion proved to be most reliable for recovery of the majority of the analytes, although content of Cr remained biased low for each approach, likely due to its presence as refractory carbide. - Highlights: • Determination of trace and residual catalyst metal content in Single-Wall Carbon Nanotubes by Inductively Coupled Plasma Mass Spectrometry. • Comparative study of digestion methodology combined with high precision isotope dilution ICP-MS for quantitation of elements of toxicologic relevance. • Results were benchmarked against those derived from neutron activation analysis and also supported by solid sampling continuum source GF-AAS for several of the elements.

  14. Benchmark calculations on residue production within the EURISOL DS project; Part I: thin targets

    CERN Document Server

    David, J.C; Boudard, A; Doré, D; Leray, S; Rapp, B; Ridikas, D; Thiollière, N

    Report on benchmark calculations on residue production in thin targets. Calculations were performed using MCNPX 2.5.0 coupled to a selection of reaction models. The results were compared to nuclide production cross-sections measured in GSI in inverse kinematics

  15. Temperature-dependent dynamical transitions of different classes of amino acid residue in a globular protein.

    Science.gov (United States)

    Miao, Yinglong; Yi, Zheng; Glass, Dennis C; Hong, Liang; Tyagi, Madhusudan; Baudry, Jerome; Jain, Nitin; Smith, Jeremy C

    2012-12-05

    The temperature dependences of the nanosecond dynamics of different chemical classes of amino acid residue have been analyzed by combining elastic incoherent neutron scattering experiments with molecular dynamics simulations on cytochrome P450cam. At T = 100-160 K, anharmonic motion in hydrophobic and aromatic residues is activated, whereas hydrophilic residue motions are suppressed because of hydrogen-bonding interactions. In contrast, at T = 180-220 K, water-activated jumps of hydrophilic side chains, which are strongly coupled to the relaxation rates of the hydrogen bonds they form with hydration water, become apparent. Thus, with increasing temperature, first the hydrophobic core awakens, followed by the hydrophilic surface.

  16. Ensemble Architecture for Prediction of Enzyme-ligand Binding Residues Using Evolutionary Information.

    Science.gov (United States)

    Pai, Priyadarshini P; Dattatreya, Rohit Kadam; Mondal, Sukanta

    2017-11-01

    Enzyme interactions with ligands are crucial for various biochemical reactions governing life. Over many years attempts to identify these residues for biotechnological manipulations have been made using experimental and computational techniques. The computational approaches have gathered impetus with the accruing availability of sequence and structure information, broadly classified into template-based and de novo methods. One of the predominant de novo methods using sequence information involves application of biological properties for supervised machine learning. Here, we propose a support vector machines-based ensemble for prediction of protein-ligand interacting residues using one of the most important discriminative contributing properties in the interacting residue neighbourhood, i. e., evolutionary information in the form of position-specific- scoring matrix (PSSM). The study has been performed on a non-redundant dataset comprising of 9269 interacting and 91773 non-interacting residues for prediction model generation and further evaluation. Of the various PSSM-based models explored, the proposed method named ROBBY (pRediction Of Biologically relevant small molecule Binding residues on enzYmes) shows an accuracy of 84.0 %, Matthews Correlation Coefficient of 0.343 and F-measure of 39.0 % on 78 test enzymes. Further, scope of adding domain knowledge such as pocket information has also been investigated; results showed significant enhancement in method precision. Findings are hoped to boost the reliability of small-molecule ligand interaction prediction for enzyme applications and drug design. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Adverse trends in male reproductive health: we may have reached a crucial 'tipping point'

    DEFF Research Database (Denmark)

    Andersson, A.-M.; Jørgensen, N.; Main, K. M.

    2008-01-01

    that the first decline in average sperm number of 20-40 mill/mL might not have had much effect on pregnancy rates, as the majority of men would still have had counts far above the threshold value. However, due to the assumed decline in semen quality, the sperm counts of the majority of 20 year old European men...... are now so low that we may be close to the crucial tipping point of 40 mill/mL spermatozoa. Consequently, we must face the possibility of more infertile couples and lower fertility rates in the future.......Healthy men produce an enormous number of sperms, far more than necessary for conception. However, several studies suggest that semen samples where the concentration of sperms is below 40 mill/mL may be associated with longer time to pregnancy or even subfertility, and specimens where...

  18. Roles of s3 site residues of nattokinase on its activity and substrate specificity.

    Science.gov (United States)

    Wu, Shuming; Feng, Chi; Zhong, Jin; Huan, Liandong

    2007-09-01

    Nattokinase (Subtilisin NAT, NK) is a bacterial serine protease with high fibrinolytic activity. To probe their roles on protease activity and substrate specificity, three residues of S3 site (Gly(100), Ser(101) and Leu(126)) were mutated by site-directed mutagenesis. Kinetics parameters of 20 mutants were measured using tetrapeptides as substrates, and their fibrinolytic activities were determined by fibrin plate method. Results of mutation analysis showed that Gly(100) and Ser(101) had reverse steric and electrostatic effects. Residues with bulky or positively charged side chains at position 100 decreased the substrate binding and catalytic activity drastically, while residues with the same characters at position 101 could obviously enhance protease and fibrinolytic activity of NK. Mutation of Leu(126) might impair the structure of the active cleft and drastically decreased the activity of NK. Kinetics studies of the mutants showed that S3 residues were crucial to keep protease activity while they moderately affected substrate specificity of NK. The present study provided some original insight into the P3-S3 interaction in NK and other subtilisins, as well as showed successful protein engineering cases to improve NK as a potential therapeutic agent.

  19. Effect of substrate preheating temperature and coating thickness on residual stress in plasma sprayed hydroxyapatite coating

    International Nuclear Information System (INIS)

    Tang, Dapei

    2015-01-01

    A thermal-mechanical coupling model was developed based on thermal-elastic- plastic theory according the special process of plasma spraying Hydroxyapatite (HA) coating upon Ti-6Al-4V substrate. On the one hand, the classical Fourier transient heat conduction equation was modified by introducing the effect item of deformation on temperature, on the other hand, the Johnson-Cook model, suitable for high temperature and high strain rate conditions, was used as constitutive equation after considering temperature softening effect, strain hardening effect and strain rate reinforcement effect. Based on the above coupling model, the residual stress field within the HA coating was simulated by using finite element method (FEM). Meanwhile, the substrate preheating temperature and coating thickness on the influence of residual stress components were calculated, respectively. The failure modes of coating were also preliminary analyzed. In addition, in order to verify the reliability of calculation, the material removal measurement technique was applied to determine the residual stress of HA coating near the interface. Some important conclusions are obtained. (paper)

  20. Residual heat removal pump retrofit program

    International Nuclear Information System (INIS)

    Dudiak, J.G.; McKenna, J.M.

    1990-01-01

    Residual Heat Removal (RHR) pumps installed in pressurized water reactor power plants are used to provide the removal of decay heat from the reactor and to provide low head safety injection in the event of loss of coolant in the reactor coolant system. These pumps are subjected to rather severe temperature and pressure transients, therefore, the majority of pumps installed in the RHR service are vertical pumps with a single stage impeller. RHR pumps have traditionally been a significant maintenance item for many utilities. The close-coupled pump design requires disassembly of the casing cover from the lower pump casing while performing these routine maintenance tasks. The casing separation requires the loosening of numerous highly torqued studs. Once the casing is separated, the impeller is dropped from the motor shaft to allow removal of the mechanical seal and casing cover from the motor shaft. Galling of the impeller to the motor shaft is not uncommon. The RHR pump internals are radioactive and the separation of the pump casing to perform routine maintenance exposes the maintenance personnel to high radiation levels. The handling of the impeller also exposes the maintenance personnel to high radiation levels. This paper introduces a design modification developed to convert the close-coupled RHR pumps to a coupled configuration

  1. Total and occluded residual gas content inside the nuclear fuel pellets

    International Nuclear Information System (INIS)

    Moura, Sergio C.; Fernandes, Carlos E.; Oliveira, Justine R.; Machado, Joyce F.; Guglielmo, Luisa M.; Bustillos, Oscar V.

    2009-01-01

    This work describes three techniques available to measure total and occluded residual gases inside the UO 2 nuclear fuel pellets. Hydrogen is the major gas compound inside these pellets, due to sintering fabrication process but Nitrogen is present as well, due to storage atmosphere fuel. The total and occluded residual gas content inside these pellets is a mandatory requirement in a quality control to assure the well function of the pellets inside the nuclear reactor. This work describes the Gas Extractor System coupled with mass spectrometry GES/MS, the Gas Extractor System coupled with gas chromatography GES/GC and the total Hydrogen / Nitrogen H/N analyzer as well. In the GES, occlude gases in the UO 2 pellets is determinate using a high temperature vacuum extraction system, in which the minimum limit of detection is in the range 0.002 cc/g. The qualitative and quantitative determination of the amount of gaseous components employs a mass spectrometry or a gas chromatography technique. The total Hydrogen / Nitrogen analyzer employ a thermal conductivity gas detector linked to a gaseous extractor furnace which has a detection limit is in the range 0.005 cc/g. The specification for the residual gas analyses in the nuclear fuel pellets is 0.03 cc/g, all techniques satisfy the requirement but not the nature of the gases due to reaction with the reactor cladding. The present work details the chemical reaction among Hydrogen / Nitrogen and nuclear reactor cladding. (author)

  2. Improving yield and composition of protein concentrates from green tea residue in an agri-food supply chain: Effect of pre-treatment

    NARCIS (Netherlands)

    Zhang, Chen; Krimpen, Van Marinus M.; Sanders, Johan P.M.; Bruins, Marieke E.

    2016-01-01

    Rather than improving crop-production yield, developing biorefinery technology for unused biomass from the agri-food supply chain may be the crucial factor to reach sustainable global food security. A successful example of food-driven biorefinery is the extraction of protein from green tea residues,

  3. Process induced residual stresses and distortions in pultrusion

    DEFF Research Database (Denmark)

    Baran, Ismet; Tutum, Cem Celal; Nielsen, Michael Wenani

    2013-01-01

    In the present study, a coupled 3D transient Eulerian thermo-chemical analysis together with a 2D plane strain Lagrangian mechanical analysis of the pultrusion process, which has not been considered until now, is carried out. The development of the process induced residual stresses and strains...... together with the distortions are predicted during the pultrusion in which the cure hardening instantaneous linear elastic (CHILE) approach is implemented. At the end of the process, tension stresses prevail for the inner region of the composite since the curing rate is higher here as compared to the outer...... regions where compression stresses are obtained. The separation between the heating die and the part due to shrinkage is also investigated using a mechanical contact formulation at the die-part interface. The proposed approach is found to be efficient and fast for the calculation of the residual stresses...

  4. NUMERICAL AND EXPERIMENTAL ANALYSIS OF RESIDUAL STRESSES GENERATED DURING HARDENING OFAISI 4140 BAR

    Directory of Open Access Journals (Sweden)

    Edwan Anderson Ariza Echeverri

    2012-09-01

    Full Text Available The aim of this work is to analyze the distribution of residual stresses resulting from the combination of volumetric changes due to heat gradients and phase changes occurring during the quenching process of an AISI/SAE 4140 steel cylinder. The mathematical model used for this objective is the AC3 modeling software of thermal treatments (transformation curves, cooling curves and microstructure, whose results were input in an finite element model, considering thermalmechanical coupling and non-linear elastic-plastic behavior, aiming the assessment of residual stresses in quenched 4140 steel cylinders. The observed microstructure confirms quantitatively and qualitatively the previsions of the AC3 Software. The results of the modeling are compared with the residual stresses measurements made using X-Ray diffraction techniques. The finite element numerical simulation shows the existence of 350 MPa compressive residual stresses in the surface region and indicates that the most significant stresses are tangential.

  5. Key Role of Cysteine Residues in Catalysis and Subcellular Localization of Sulfur Oxygenase-Reductase of Acidianus tengchongensis

    DEFF Research Database (Denmark)

    Chen, Z. W.; Jiang, C. Y.; She, Qunxin

    2005-01-01

    ). The thio-modifying reagent N-ethylmaleimide and Zn2+ strongly inhibited the activities of the SORs of A. tengchongensis, suggesting that cysteine residues are important. Site-directed mutagenesis was used to construct four mutant SORs with cysteines replaced by serine or alanine. The purified mutant......Analysis of known sulfur oxygenase-reductases (SORs) and the SOR-like sequences identified from public databases indicated that they all possess three cysteine residues within two conserved motifs (V-G-P-K-V-C31 and C101-X-X-C104; numbering according to the Acidianus tengchongensis numbering system...... proteins were investigated in parallel with the wild-type SOR. Replacement of any cysteine reduced SOR activity by 98.4 to 100%, indicating that all the cysteine residues are crucial to SOR activities. Circular-dichroism and fluorescence spectrum analyses revealed that the wild-type and mutant SORs have...

  6. Coupled modes, frequencies and fields of a dielectric resonator and a cavity using coupled mode theory

    Science.gov (United States)

    Elnaggar, Sameh Y.; Tervo, Richard; Mattar, Saba M.

    2014-01-01

    Probes consisting of a dielectric resonator (DR) inserted in a cavity are important integral components of electron paramagnetic resonance (EPR) spectrometers because of their high signal-to-noise ratio. This article studies the behavior of this system, based on the coupling between its dielectric and cavity modes. Coupled-mode theory (CMT) is used to determine the frequencies and electromagnetic fields of this coupled system. General expressions for the frequencies and field distributions are derived for both the resulting symmetric and anti-symmetric modes. These expressions are applicable to a wide range of frequencies (from MHz to THz). The coupling of cavities and DRs of various sizes and their resonant frequencies are studied in detail. Since the DR is situated within the cavity then the coupling between them is strong. In some cases the coupling coefficient, κ, is found to be as high as 0.4 even though the frequency difference between the uncoupled modes is large. This is directly attributed to the strong overlap between the fields of the uncoupled DR and cavity modes. In most cases, this improves the signal to noise ratio of the spectrometer. When the DR and the cavity have the same frequency, the coupled electromagnetic fields are found to contain equal contributions from the fields of the two uncoupled modes. This situation is ideal for the excitation of the probe through an iris on the cavity wall. To verify and validate the results, finite element simulations are carried out. This is achieved by simulating the coupling between a cylindrical cavity's TE011 and the dielectric insert's TE01δ modes. Coupling between the modes of higher order is also investigated and discussed. Based on CMT, closed form expressions for the fields of the coupled system are proposed. These expressions are crucial in the analysis of the probe's performance.

  7. Gap junction coupling confers isopotentiality on astrocyte syncytium

    Science.gov (United States)

    Ma, Baofeng; Buckalew, Richard; Du, Yixing; Kiyoshi, Conrad M.; Alford, Catherine C.; Wang, Wei; McTigue, Dana D.; Enyeart, John J.; Terman, David; Zhou, Min

    2015-01-01

    Astrocytes are extensively coupled through gap junctions into a syncytium. However, the basic role of this major brain network remains largely unknown. Using electrophysiological and computational modeling methods, we demonstrate that the membrane potential (VM) of an individual astrocyte in a hippocampal syncytium, but not in a single, freshly isolated cell preparation, can be well-maintained at quasi-physiological levels when recorded with reduced or K+ free pipette solutions that alter the K+ equilibrium potential to non-physiological voltages. We show that an astrocyte’s associated syncytium provides powerful electrical coupling, together with ionic coupling at a lesser extent, that equalizes the astrocyte’s VM to levels comparable to its neighbors. Functionally, this minimizes VM depolarization attributable to elevated levels of local extracellular K+ and thereby maintains a sustained driving force for highly efficient K+ uptake. Thus, gap junction coupling functions to achieve isopotentiality in astrocytic networks, whereby a constant extracellular environment can be powerfully maintained for crucial functions of neural circuits. PMID:26435164

  8. Measurement of {sup 1}H-{sup 15}N and {sup 1}H-{sup 13}C residual dipolar couplings in nucleic acids from TROSY intensities

    Energy Technology Data Exchange (ETDEWEB)

    Ying Jinfa [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Wang Jinbu [National Cancer Institute, National Institutes of Health, Structural Biophysics Laboratory (United States); Grishaev, Alex [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Yu Ping; Wang Yunxing [National Cancer Institute, National Institutes of Health, Structural Biophysics Laboratory (United States); Bax, Ad, E-mail: bax@nih.gov [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

    2011-09-15

    Analogous to the recently introduced ARTSY method for measurement of one-bond {sup 1}H-{sup 15}N residual dipolar couplings (RDCs) in large perdeuterated proteins, we introduce methods for measurement of base {sup 13}C-{sup 1}H and {sup 15}N-{sup 1}H RDCs in protonated nucleic acids. Measurements are based on quantitative analysis of intensities in {sup 1}H-{sup 15}N and {sup 13}C-{sup 1}H TROSY-HSQC spectra, and are illustrated for a 71-nucleotide adenine riboswitch. Results compare favorably with those of conventional frequency-based measurements in terms of completeness and convenience of use. The ARTSY method derives the size of the coupling from the ratio of intensities observed in two TROSY-HSQC spectra recorded with different dephasing delays, thereby minimizing potential resonance overlap problems. Precision of the RDC measurements is limited by the signal-to-noise ratio, S/N, achievable in the 2D TROSY-HSQC reference spectrum, and is approximately given by 30/(S/N) Hz for {sup 15}N-{sup 1}H and 65/(S/N) Hz for {sup 13}C-{sup 1}H. The signal-to-noise ratio of both {sup 1}H-{sup 15}N and {sup 1}H-{sup 13}C spectra greatly benefits when water magnetization during the experiments is not perturbed, such that rapid magnetization transfer from bulk water to the nucleic acid, mediated by rapid amino and hydroxyl hydrogen exchange coupled with {sup 1}H-{sup 1}H NOE transfer, allows for fast repetition of the experiment. RDCs in the mutated helix 1 of the riboswitch are compatible with nucleotide-specifically modeled, idealized A-form geometry and a static orientation relative to the helix 2/3 pair, which differs by ca 6 Degree-Sign relative to the X-ray structure of the native riboswitch.

  9. Astrocytes take the stage in a tale of signaling-metabolism coupling

    DEFF Research Database (Denmark)

    Bak, Lasse K

    2017-01-01

    Astrocytes are crucial cells in the brain that are intimately coupled with neuronal metabolism. A new paper from San Martín et al. provides evidence that physiological levels of the gaseous signal molecule NO can rapidly and reversibly increase astrocyte metabolism of glucose and production...... of lactate. A proposed neurological coupling-from the potential source of NO, endothelial cells, to the potential beneficiary from the lactate, neurons-prompts new questions regarding the controversial role of lactate in the brain....

  10. Residue Leu(940) Has a Crucial Role in the Linkage and Reaction Specificity of the Glucansucrase GTF180 of the Probiotic Bacterium Lactobacillus reuteri 180

    NARCIS (Netherlands)

    Meng, Xiangfeng; Dobruchowska, Justyna M.; Pijning, Tjaard; Lopez-Bautista, Cesar; Kamerling, Johannis P.; Dijkhuizen, Lubbert

    2014-01-01

    Highly conserved GH70 family glucansucrases are able to catalyze the synthesis of α-glucans with different structure from sucrose. The structural determinants of glucansucrase specificity have remained unclear. Residue L940 in domain B of GTF180, the glucansucrase of the probiotic bacterium

  11. Minimizing residues and strain in 2D materials transferred from PDMS

    Science.gov (United States)

    Jain, Achint; Bharadwaj, Palash; Heeg, Sebastian; Parzefall, Markus; Taniguchi, Takashi; Watanabe, Kenji; Novotny, Lukas

    2018-06-01

    Integrating layered two-dimensional (2D) materials into 3D heterostructures offers opportunities for novel material functionalities and applications in electronics and photonics. In order to build the highest quality heterostructures, it is crucial to preserve the cleanliness and morphology of 2D material surfaces that come in contact with polymers such as PDMS during transfer. Here we report that substantial residues and up to ∼0.22% compressive strain can be present in monolayer MoS2 transferred using PDMS. We show that a UV-ozone pre-cleaning of the PDMS surface before exfoliation significantly reduces organic residues on transferred MoS2 flakes. An additional 200 ◦C vacuum anneal after transfer efficiently removes interfacial bubbles and wrinkles as well as accumulated strain, thereby restoring the surface morphology of transferred flakes to their native state. Our recipe is important for building clean heterostructures of 2D materials and increasing the reproducibility and reliability of devices based on them.

  12. A residue-specific shift in stability and amyloidogenicity of antibody variable domains.

    Science.gov (United States)

    Nokwe, Cardine N; Zacharias, Martin; Yagi, Hisashi; Hora, Manuel; Reif, Bernd; Goto, Yuji; Buchner, Johannes

    2014-09-26

    Variable (V) domains of antibodies are essential for antigen recognition by our adaptive immune system. However, some variants of the light chain V domains (VL) form pathogenic amyloid fibrils in patients. It is so far unclear which residues play a key role in governing these processes. Here, we show that the conserved residue 2 of VL domains is crucial for controlling its thermodynamic stability and fibril formation. Hydrophobic side chains at position 2 stabilize the domain, whereas charged residues destabilize and lead to amyloid fibril formation. NMR experiments identified several segments within the core of the VL domain to be affected by changes in residue 2. Furthermore, molecular dynamic simulations showed that hydrophobic side chains at position 2 remain buried in a hydrophobic pocket, and charged side chains show a high flexibility. This results in a predicted difference in the dissociation free energy of ∼10 kJ mol(-1), which is in excellent agreement with our experimental values. Interestingly, this switch point is found only in VL domains of the κ family and not in VLλ or in VH domains, despite a highly similar domain architecture. Our results reveal novel insight into the architecture of variable domains and the prerequisites for formation of amyloid fibrils. This might also contribute to the rational design of stable variable antibody domains. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  13. Residual stresses

    International Nuclear Information System (INIS)

    Sahotra, I.M.

    2006-01-01

    The principal effect of unloading a material strained into the plastic range is to create a permanent set (plastic deformation), which if restricted somehow, gives rise to a system of self-balancing within the same member or reaction balanced by other members of the structure., known as residual stresses. These stresses stay there as locked-in stresses, in the body or a part of it in the absence of any external loading. Residual stresses are induced during hot-rolling and welding differential cooling, cold-forming and extruding: cold straightening and spot heating, fabrication and forced fitting of components constraining the structure to a particular geometry. The areas which cool more quickly develop residual compressive stresses, while the slower cooling areas develop residual tensile stresses, and a self-balancing or reaction balanced system of residual stresses is formed. The phenomenon of residual stresses is the most challenging in its application in surface modification techniques determining endurance mechanism against fracture and fatigue failures. This paper discusses the mechanism of residual stresses, that how the residual stresses are fanned and what their behavior is under the action of external forces. Such as in the case of a circular bar under limit torque, rectangular beam under limt moment, reclaiming of shafts welds and peening etc. (author)

  14. Flanking signal and mature peptide residues influence signal peptide cleavage

    Directory of Open Access Journals (Sweden)

    Ranganathan Shoba

    2008-12-01

    Full Text Available Abstract Background Signal peptides (SPs mediate the targeting of secretory precursor proteins to the correct subcellular compartments in prokaryotes and eukaryotes. Identifying these transient peptides is crucial to the medical, food and beverage and biotechnology industries yet our understanding of these peptides remains limited. This paper examines the most common type of signal peptides cleavable by the endoprotease signal peptidase I (SPase I, and the residues flanking the cleavage sites of three groups of signal peptide sequences, namely (i eukaryotes (Euk (ii Gram-positive (Gram+ bacteria, and (iii Gram-negative (Gram- bacteria. Results In this study, 2352 secretory peptide sequences from a variety of organisms with amino-terminal SPs are extracted from the manually curated SPdb database for analysis based on physicochemical properties such as pI, aliphatic index, GRAVY score, hydrophobicity, net charge and position-specific residue preferences. Our findings show that the three groups share several similarities in general, but they display distinctive features upon examination in terms of their amino acid compositions and frequencies, and various physico-chemical properties. Thus, analysis or prediction of their sequences should be separated and treated as distinct groups. Conclusion We conclude that the peptide segment recognized by SPase I extends to the start of the mature protein to a limited extent, upon our survey of the amino acid residues surrounding the cleavage processing site. These flanking residues possibly influence the cleavage processing and contribute to non-canonical cleavage sites. Our findings are applicable in defining more accurate prediction tools for recognition and identification of cleavage site of SPs.

  15. The paediatric Bohler's angle and crucial angle of Gissane: a case series

    Directory of Open Access Journals (Sweden)

    Crawford Haemish A

    2011-01-01

    Full Text Available Abstract Background Bohler's angle and the crucial angle of Gissane can be used to assess calcaneal fractures. While the normal adult values of these angles are widely known, the normal paediatric values have not yet been established. Our aim is to investigate Bohler's angle and the crucial angle of Gissane in a paediatric population and establish normal paediatric reference values. Method We measured Bohler's angle and the crucial angle of Gissane using normal plain ankle radiographs of 763 patients from birth to 14 years of age completed over a five year period from July 2003 to June 2008. Results In our paediatric study group, the mean Bohler's angle was 35.2 degrees and the mean crucial angle of Gissane was 111.3 degrees. In an adult comparison group, the mean Bohler's angle was 39.2 degrees and the mean crucial angle of Gissane was 113.8 degrees. The differences in Bohler's angle and the crucial angle of Gissane between these two groups were statistically significant. Conclusion We have presented the normal values of Bohler's angle and the crucial angle of Gissane in a paediatric population. These values may provide a useful comparison to assist with the management of the paediatric calcaneal fracture.

  16. Predicting protein folding rate change upon point mutation using residue-level coevolutionary information.

    Science.gov (United States)

    Mallik, Saurav; Das, Smita; Kundu, Sudip

    2016-01-01

    Change in folding kinetics of globular proteins upon point mutation is crucial to a wide spectrum of biological research, such as protein misfolding, toxicity, and aggregations. Here we seek to address whether residue-level coevolutionary information of globular proteins can be informative to folding rate changes upon point mutations. Generating residue-level coevolutionary networks of globular proteins, we analyze three parameters: relative coevolution order (rCEO), network density (ND), and characteristic path length (CPL). A point mutation is considered to be equivalent to a node deletion of this network and respective percentage changes in rCEO, ND, CPL are found linearly correlated (0.84, 0.73, and -0.61, respectively) with experimental folding rate changes. The three parameters predict the folding rate change upon a point mutation with 0.031, 0.045, and 0.059 standard errors, respectively. © 2015 Wiley Periodicals, Inc.

  17. Opportunities and Barriers to Resource Recovery and Recycling from Shredder Residue in the United States

    Science.gov (United States)

    Nayak, Naren; Apelian, Diran

    2014-11-01

    Shredder residue is the by-product remaining after ferrous and nonferrous metals have been recovered from the processing of vehicles, white goods, and peddler scrap. Shredder residue consists of glass, plastics, rubber, dirt, and small amounts of metal. It is estimated that 5-7 million tons of this shredder residue are landfilled each year in the United States. Technical advancements, coupled with European Union directives and the economic climate, have transformed the recycling of shredder residue in Europe. In the United States, however, regulatory controls and the cheap cost of landfill have worked against the advancement of recycling and recovery of this resource. The Argonne National Laboratory, which is funded by the U.S. Department of Energy, has investigated the effectiveness of recycling shredder residue into polymers. Other research has examined the use of shredder residue in waste-to-energy applications. To improve our ability to process and recycle shredder residue, an investigation of the regulatory, economic, and technological challenges was undertaken. The objective was to conduct a comprehensive review of work done to date, to document the composition of typical shredder output and to identify potential recoverable items (residual metals, plastics, rubber, foam, etc.). Along with uncovering potential new markets, the research would identify the technical, regulatory, and economic barriers to developing those markets.

  18. Is residual memory variance a valid method for quantifying cognitive reserve? A longitudinal application

    Science.gov (United States)

    Zahodne, Laura B.; Manly, Jennifer J.; Brickman, Adam M.; Narkhede, Atul; Griffith, Erica Y.; Guzman, Vanessa A.; Schupf, Nicole; Stern, Yaakov

    2016-01-01

    Cognitive reserve describes the mismatch between brain integrity and cognitive performance. Older adults with high cognitive reserve are more resilient to age-related brain pathology. Traditionally, cognitive reserve is indexed indirectly via static proxy variables (e.g., years of education). More recently, cross-sectional studies have suggested that reserve can be expressed as residual variance in episodic memory performance that remains after accounting for demographic factors and brain pathology (whole brain, hippocampal, and white matter hyperintensity volumes). The present study extends these methods to a longitudinal framework in a community-based cohort of 244 older adults who underwent two comprehensive neuropsychological and structural magnetic resonance imaging sessions over 4.6 years. On average, residual memory variance decreased over time, consistent with the idea that cognitive reserve is depleted over time. Individual differences in change in residual memory variance predicted incident dementia, independent of baseline residual memory variance. Multiple-group latent difference score models revealed tighter coupling between brain and language changes among individuals with decreasing residual memory variance. These results suggest that changes in residual memory variance may capture a dynamic aspect of cognitive reserve and could be a useful way to summarize individual cognitive responses to brain changes. Change in residual memory variance among initially non-demented older adults was a better predictor of incident dementia than residual memory variance measured at one time-point. PMID:26348002

  19. Residual stresses

    International Nuclear Information System (INIS)

    Macherauch, E.

    1978-01-01

    Residual stresses are stresses which exist in a material without the influence of external powers and moments. They come into existence when the volume of a material constantly changes its form as a consequence of mechanical, thermal, and/or chemical processes and is hindered by neighbouring volumes. Bodies with residual stress are in mechanical balance. These residual stresses can be manifested by means of all mechanical interventions disturbing this balance. Acoustical, optical, radiological, and magnetical methods involving material changes caused by residual stress can also serve for determining residual stress. Residual stresses have an ambivalent character. In technical practice, they are feared and liked at the same time. They cause trouble because they can be the cause for unexpected behaviour of construction elements. They are feared since they can cause failure, in the worst case with catastrophical consequences. They are appreciated, on the other hand, because, in many cases, they can contribute to improvements of the material behaviour under certain circumstances. But they are especially liked for their giving convenient and (this is most important) mostly uncontrollable explanations. For only in very few cases we have enough knowledge and possibilities for the objective evaluation of residual stresses. (orig.) [de

  20. Asymptotic safety of higher derivative quantum gravity non-minimally coupled with a matter system

    Science.gov (United States)

    Hamada, Yuta; Yamada, Masatoshi

    2017-08-01

    We study asymptotic safety of models of the higher derivative quantum gravity with and without matter. The beta functions are derived by utilizing the functional renormalization group, and non-trivial fixed points are found. It turns out that all couplings in gravity sector, namely the cosmological constant, the Newton constant, and the R 2 and R μν 2 coupling constants, are relevant in case of higher derivative pure gravity. For the Higgs-Yukawa model non-minimal coupled with higher derivative gravity, we find a stable fixed point at which the scalar-quartic and the Yukawa coupling constants become relevant. The relevant Yukawa coupling is crucial to realize the finite value of the Yukawa coupling constants in the standard model.

  1. Mutational analysis of the pumpkin (Cucurbita maxima) phloem exudate lectin, PP2 reveals Ser-104 is crucial for carbohydrate binding.

    Science.gov (United States)

    Bobbili, Kishore Babu; Bandari, Shyam; Grobe, Kay; Swamy, Musti J

    2014-07-18

    The pumpkin phloem lectin (PP2) is an RNA-binding, defense-related, chitooligosaccharide-specific, homodimeric lectin of Mr 48 kDa expressed at high concentrations in the sieve elements and companion cells of pumpkin (Cucurbita maxima). In the present study, PP2 was expressed in the methylotrophic yeast Pichia pastoris with the Saccharomyces α-factor sequence to direct the recombinant protein into the secretory pathway as a prerequisite for unimpaired folding and posttranslational glycosylation of recombinant PP2. Previous computational modeling and ligand docking studies predicted a putative chitooligosaccharide-binding site on the PP2 surface, which was divided into three subsites, with two amino acid residues in each subsite identified as possible candidates for interaction with chitooligosaccharides (CHOs). In this work, mutational analysis and hemagglutination assays were employed to verify the role of the predicted residues in the carbohydrate binding activity of the protein. The results obtained revealed that mutation of Ser-104 to Ala (S104A) at subsite-2 resulted in about 90% loss of agglutination activity of the protein, indicating that Ser-104 is crucial for the binding of CHOs to PP2. Also, L100A (at subsite-1) and K200A (at subsite-3) independently decreased the lectin activity by about 40%, indicating that these two residues also contribute significantly to sugar binding by PP2. Together, these findings confirm that all the three subsites contribute to varying degrees toward PP2-carbohydrate interaction, and confirm the validity of the computational model, as proposed earlier. Copyright © 2014 Elsevier Inc. All rights reserved.

  2. Evaluation of residue-residue contact predictions in CASP9

    KAUST Repository

    Monastyrskyy, Bohdan

    2011-01-01

    This work presents the results of the assessment of the intramolecular residue-residue contact predictions submitted to CASP9. The methodology for the assessment does not differ from that used in previous CASPs, with two basic evaluation measures being the precision in recognizing contacts and the difference between the distribution of distances in the subset of predicted contact pairs versus all pairs of residues in the structure. The emphasis is placed on the prediction of long-range contacts (i.e., contacts between residues separated by at least 24 residues along sequence) in target proteins that cannot be easily modeled by homology. Although there is considerable activity in the field, the current analysis reports no discernable progress since CASP8.

  3. Conceptual design of a calorimeter and residual ion dump for the ITER negative ion injectors

    International Nuclear Information System (INIS)

    Watson, M.

    1998-01-01

    A conceptual design for the ITER Negative Ion Injectors' Calorimeter and Residual Ion Dump systems has been carried out. The work was undertaken in support of detailed studies performed by the Russian Federation. Concepts for both systems incorporate actively water cooled hypervapotrons as the primary beam stopping elements. The Calorimeter drive has been based on the utilisation of a novel force translation system via magnetic coupling. The Residual Ion Dump necessitates the use of double sided hypervapotron elements in order to cater for the restricted space envelope defined by the Accelerator Grid hole pattern. (author)

  4. Residual heat removal pump and low pressure safety injection pump retrofit program

    International Nuclear Information System (INIS)

    Dudiak, J.G.; McKenna, J.M.

    1992-01-01

    Residual Heat Removal (RHR) and low pressure safety injection (LPSI) pumps installed in pressurized water-to-reactor power plants are used to provide low-head safety injection in the event of loss of coolant in the reactor coolant system. Because these pumps are subjected to rather severe temperature and pressure transients, the majority of pumps installed in the RHR service are vertical pumps with a single stage impeller. Typically the pump impeller is mounted on an extended motor shaft (close-coupled configuration) and a mechanical seal is employed at the pump end of the shaft. Traditionally RHR and LPSI pumps have been a significant maintenance item for many utilities. Periodic mechanical seal of motor bearing replacement often is considered routine maintenance. The closed-coupled pump design requires disassembly of the casing cover from the lower pump casing while performing these routine maintenance tasks. This paper introduces a design modification developed to convert the close-coupled RHR and LPSI pumps to a coupled configuration

  5. Hierarchical and coupling model of factors influencing vessel traffic flow.

    Science.gov (United States)

    Liu, Zhao; Liu, Jingxian; Li, Huanhuan; Li, Zongzhi; Tan, Zhirong; Liu, Ryan Wen; Liu, Yi

    2017-01-01

    Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system.

  6. Time delay induced different synchronization patterns in repulsively coupled chaotic oscillators

    Science.gov (United States)

    Yao, Chenggui; Yi, Ming; Shuai, Jianwei

    2013-09-01

    Time delayed coupling plays a crucial role in determining the system's dynamics. We here report that the time delay induces transition from the asynchronous state to the complete synchronization (CS) state in the repulsively coupled chaotic oscillators. In particular, by changing the coupling strength or time delay, various types of synchronous patterns, including CS, antiphase CS, antiphase synchronization (ANS), and phase synchronization, can be generated. In the transition regions between different synchronous patterns, bistable synchronous oscillators can be observed. Furthermore, we show that the time-delay-induced phase flip bifurcation is of key importance for the emergence of CS. All these findings may light on our understanding of neuronal synchronization and information processing in the brain.

  7. Binding of the human "electron transferring flavoprotein" (ETF) to the medium chain acyl-CoA dehydrogenase (MCAD) involves an arginine and histidine residue.

    Science.gov (United States)

    Parker, Antony R

    2003-10-01

    The interaction between the "electron transferring flavoprotein" (ETF) and medium chain acyl-CoA dehydrogenase (MCAD) enables successful flavin to flavin electron transfer, crucial for the beta-oxidation of fatty acids. The exact biochemical determinants for ETF binding to MCAD are unknown. Here we show that binding of human ETF, to MCAD, was inhibited by 2,3-butanedione and diethylpyrocarbonate (DEPC) and reversed by incubation with free arginine and hydroxylamine respectively. Spectral analyses of native ETF vs modified ETF suggested that flavin binding was not affected and that the loss of ETF activity with MCAD involved modification of one ETF arginine residue and one ETF histidine residue respectively. MCAD and octanoyl-CoA protected ETF against inactivation by both 2,3-butanedione and DEPC indicating that the arginine and histidine residues are present in or around the MCAD binding site. Comparison of exposed arginine and histidine residues among different ETF species, however, indicates that arginine residues are highly conserved but that histidine residues are not. These results lead us to conclude that this single arginine residue is essential for the binding of ETF to MCAD, but that the single histidine residue, although involved, is not.

  8. An Access Control and Trust Management Framework for Loosely-Coupled Multidomain Environments

    Science.gov (United States)

    Zhang, Yue

    2010-01-01

    Multidomain environments where multiple organizations interoperate with each other are becoming a reality as can be seen in emerging Internet-based enterprise applications. Access control to ensure secure interoperation in such an environment is a crucial challenge. A multidomain environment can be categorized as "tightly-coupled" and…

  9. Justification of a "Crucial" Experiment: Parity Nonconservation.

    Science.gov (United States)

    Franklin, Allan; Smokler, Howard

    1981-01-01

    Presents history, nature of evidence evaluated, and philosophical questions to justify the view that experiments on parity nonconservation were "crucial" experiments in the sense that they decided unambiguously and within a short period of time for the appropriate scientific community, between two or more competing theories or classes of theories.…

  10. A finite range coupled channel Born approximation code

    International Nuclear Information System (INIS)

    Nagel, P.; Koshel, R.D.

    1978-01-01

    The computer code OUKID calculates differential cross sections for direct transfer nuclear reactions in which multistep processes, arising from strongly coupled inelastic states in both the target and residual nuclei, are possible. The code is designed for heavy ion reactions where full finite range and recoil effects are important. Distorted wave functions for the elastic and inelastic scattering are calculated by solving sets of coupled differential equations using a Matrix Numerov integration procedure. These wave functions are then expanded into bases of spherical Bessel functions by the plane-wave expansion method. This approach allows the six-dimensional integrals for the transition amplitude to be reduced to products of two one-dimensional integrals. Thus, the inelastic scattering is treated in a coupled channel formalism while the transfer process is treated in a finite range born approximation formalism. (Auth.)

  11. Is residual memory variance a valid method for quantifying cognitive reserve? A longitudinal application.

    Science.gov (United States)

    Zahodne, Laura B; Manly, Jennifer J; Brickman, Adam M; Narkhede, Atul; Griffith, Erica Y; Guzman, Vanessa A; Schupf, Nicole; Stern, Yaakov

    2015-10-01

    Cognitive reserve describes the mismatch between brain integrity and cognitive performance. Older adults with high cognitive reserve are more resilient to age-related brain pathology. Traditionally, cognitive reserve is indexed indirectly via static proxy variables (e.g., years of education). More recently, cross-sectional studies have suggested that reserve can be expressed as residual variance in episodic memory performance that remains after accounting for demographic factors and brain pathology (whole brain, hippocampal, and white matter hyperintensity volumes). The present study extends these methods to a longitudinal framework in a community-based cohort of 244 older adults who underwent two comprehensive neuropsychological and structural magnetic resonance imaging sessions over 4.6 years. On average, residual memory variance decreased over time, consistent with the idea that cognitive reserve is depleted over time. Individual differences in change in residual memory variance predicted incident dementia, independent of baseline residual memory variance. Multiple-group latent difference score models revealed tighter coupling between brain and language changes among individuals with decreasing residual memory variance. These results suggest that changes in residual memory variance may capture a dynamic aspect of cognitive reserve and could be a useful way to summarize individual cognitive responses to brain changes. Change in residual memory variance among initially non-demented older adults was a better predictor of incident dementia than residual memory variance measured at one time-point. Copyright © 2015. Published by Elsevier Ltd.

  12. Distinct collective states due to trade-off between attractive and repulsive couplings

    Science.gov (United States)

    Sathiyadevi, K.; Chandrasekar, V. K.; Senthilkumar, D. V.; Lakshmanan, M.

    2018-03-01

    We investigate the effect of repulsive coupling together with an attractive coupling in a network of nonlocally coupled oscillators. To understand the complex interaction between these two couplings we introduce a control parameter in the repulsive coupling which plays a crucial role in inducing distinct complex collective patterns. In particular, we show the emergence of various cluster chimera death states through a dynamically distinct transition route, namely the oscillatory cluster state and coherent oscillation death state as a function of the repulsive coupling in the presence of the attractive coupling. In the oscillatory cluster state, the oscillators in the network are grouped into two distinct dynamical states of homogeneous and inhomogeneous oscillatory states. Further, the network of coupled oscillators follow the same transition route in the entire coupling range. Depending upon distinct coupling ranges, the system displays different number of clusters in the death state and oscillatory state. We also observe that the number of coherent domains in the oscillatory cluster state exponentially decreases with increase in coupling range and obeys a power-law decay. Additionally, we show analytical stability for observed solitary state, synchronized state, and incoherent oscillation death state.

  13. Molecular interactions and residues involved in force generation in the T4 viral DNA packaging motor.

    Science.gov (United States)

    Migliori, Amy D; Smith, Douglas E; Arya, Gaurav

    2014-12-12

    Many viruses utilize molecular motors to package their genomes into preformed capsids. A striking feature of these motors is their ability to generate large forces to drive DNA translocation against entropic, electrostatic, and bending forces resisting DNA confinement. A model based on recently resolved structures of the bacteriophage T4 motor protein gp17 suggests that this motor generates large forces by undergoing a conformational change from an extended to a compact state. This transition is proposed to be driven by electrostatic interactions between complementarily charged residues across the interface between the N- and C-terminal domains of gp17. Here we use atomistic molecular dynamics simulations to investigate in detail the molecular interactions and residues involved in such a compaction transition of gp17. We find that although electrostatic interactions between charged residues contribute significantly to the overall free energy change of compaction, interactions mediated by the uncharged residues are equally if not more important. We identify five charged residues and six uncharged residues at the interface that play a dominant role in the compaction transition and also reveal salt bridging, van der Waals, and solvent hydrogen-bonding interactions mediated by these residues in stabilizing the compact form of gp17. The formation of a salt bridge between Glu309 and Arg494 is found to be particularly crucial, consistent with experiments showing complete abrogation in packaging upon Glu309Lys mutation. The computed contributions of several other residues are also found to correlate well with single-molecule measurements of impairments in DNA translocation activity caused by site-directed mutations. Copyright © 2014 Elsevier Ltd. All rights reserved.

  14. Residual stress analysis in linear friction welded in-service Inconel 718 superalloy via neutron diffraction and contour method approaches

    Energy Technology Data Exchange (ETDEWEB)

    Smith, M. [University of British Columbia – Okanagan, School of Engineering, 3333 University Way, Kelowna, Canada V1V 1V7 (Canada); Levesque, J.-B. [Institut de recherche d' Hydro-Québec (IREQ), 1800 Lionel-Boulet Blvd., Varennes, Canada J3X 1S1 (Canada); Bichler, L., E-mail: lukas.bichler@ubc.ca [University of British Columbia – Okanagan, School of Engineering, 3333 University Way, Kelowna, Canada V1V 1V7 (Canada); Sediako, D. [Canadian Nuclear Laboratories, Building 459, Station 18, Chalk River, Canada K0J 1J0 (Canada); Gholipour, J.; Wanjara, P. [National Research Council of Canada, Aerospace 5145 Decelles Ave., Montreal, Canada H3T 2B2 (Canada)

    2017-04-13

    In this study, an analysis of elastic residual stress in Inconel{sup ®} 718 (IN 718) linear friction welds (LFWs) was carried out. In particular, the suitability of LFW for manufacturing and repair of aero engine components was emulated by joining virgin and in-service (extracted from a turbine disk) materials. The evolution in the residual strains and stresses in the heat-affected zone (HAZ), thermomechanically affected zone (TMAZ) and dynamically recrystallized zone (DRX) of the weld was characterized using the neutron diffraction and contour methods. The results provided insight into diverse challenges in quantitative analysis of residual stresses in welded IN 718 using diffraction techniques. Specifically, judicious selection of the beam width, height and stress-free lattice spacing were seen to be crucial to minimize measurement error and increase accuracy. Further, the contour method – a destructive technique relying on capturing the stress relaxation after electrical discharge machining – was used to characterize the residual stress distribution on two-dimensional plane sections of the welds. Both techniques suggested an increasing magnitude of residual stress originating from the base metal that reached a peak at the weld interface. Both methods indicated that the peak magnitude of residual stresses were below the yield stress of IN 718.

  15. X-ray diffraction measurement of residual stress in sol-gel grown lead zirconate titanate thick films on nickel-based super alloy substrate

    Energy Technology Data Exchange (ETDEWEB)

    Hoshyarmanesh, Hamidreza; Nehzat, Naser; Salehi, Mehdi [Isfahan University of Technology, Isfahan (Iran, Islamic Republic of); Ghodsi, Mojtaba [Sultan Qaboos University, Muscat (Oman)

    2015-02-15

    Residual compressive stress of Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} thick films was investigated using residual strains derived from X-ray diffraction patterns. Sin{sup 2}ψ method was applied for the 5, 10 and 15 μm sol-gel derived thick films annealed at 700 .deg. C for 1 hr as high frequency structural health monitoring square-shape transducers of 10 x10 mm, deposited onto the curved nickel-based super alloy substrates. A triaxial model was proposed based on piezoelectric constitutive equations, and Bragg's law at a large diffraction angle (∼89°) was utilized considering the electromechanical coupling factor as well as elastic, dielectric and piezoelectric constants. Thickness variations led to a significant change in residual stress magnitudes delineated from more-accurate triaxial model compared to small angle plane-stress results not considering the piezoelectric coupling effects.

  16. Developing an Integrated Model Framework for the Assessment of Sustainable Agricultural Residue Removal Limits for Bioenergy Systems

    Energy Technology Data Exchange (ETDEWEB)

    David Muth, Jr.; Jared Abodeely; Richard Nelson; Douglas McCorkle; Joshua Koch; Kenneth Bryden

    2011-08-01

    Agricultural residues have significant potential as a feedstock for bioenergy production, but removing these residues can have negative impacts on soil health. Models and datasets that can support decisions about sustainable agricultural residue removal are available; however, no tools currently exist capable of simultaneously addressing all environmental factors that can limit availability of residue. The VE-Suite model integration framework has been used to couple a set of environmental process models to support agricultural residue removal decisions. The RUSLE2, WEPS, and Soil Conditioning Index models have been integrated. A disparate set of databases providing the soils, climate, and management practice data required to run these models have also been integrated. The integrated system has been demonstrated for two example cases. First, an assessment using high spatial fidelity crop yield data has been run for a single farm. This analysis shows the significant variance in sustainably accessible residue across a single farm and crop year. A second example is an aggregate assessment of agricultural residues available in the state of Iowa. This implementation of the integrated systems model demonstrates the capability to run a vast range of scenarios required to represent a large geographic region.

  17. arXiv On Matrix Factorizations, Residue Pairings and Homological Mirror Symmetry

    CERN Document Server

    Lerche, Wolfgang

    We argue how boundary B-type Landau-Ginzburg models based on matrix factorizations can be used to compute exact superpotentials for intersecting D-brane configurations on compact Calabi-Yau spaces. In this paper, we consider the dependence of open-string, boundary changing correlators on bulk moduli. This determines, via mirror symmetry, non-trivial disk instanton corrections in the A-model. As crucial ingredient we propose a differential equation that involves matrix analogs of Saito's higher residue pairings. As example, we compute from this for the elliptic curve certain quantum products m_2 and m_3, which reproduce genuine boundary changing, open Gromov-Witten invariants.

  18. Transient behaviour of EIT and EIA in an optical-radio two-photon coupling configuration

    Science.gov (United States)

    Li, Xiaoli; Yang, Zicai; Shang, Yaxuan

    2012-11-01

    Both electromagnetically induced absorption (EIA) and transparency (EIT) can be obtained in a modified quasi-lambda four level system consisting of an optical-radio two-photon coupling field and a probing field. A physical account of EIA and EIT is given in terms of a transient state picture in this paper. It can be seen that the optical coupling field in this quasi-lambda four level system has a crucial effect on the forming of EIA and EIT. An EIA is observed under a resonant optical coupling and it evolves into an EIT when there is a detuning.

  19. Climate variability in a coupled GCM. Pt. 2

    International Nuclear Information System (INIS)

    Latif, M.; Sterl, A.; Assenbaum, M.; Junge, M.M.; Maier-Reimer, E.

    1993-01-01

    The seasonal cycle and the interannual variability of the tropical Indian Ocean circulation are investigated and the Indian Summer Monsoon is simulated by a coupled ocean-atmosphere general circulation model in a 26 year integration. Although the model exhibits significant climate drift, it simulates realistically the seasonal changes in the tropical Indian Ocean and the onset and evolution of the Indian Summer Monsoon. The amplitudes of the seasonal changes, however, are somewhat underestimated. The coupled GCM also simulates considerable interannual variability in the tropical Indian Ocean circulation which is partly related to the El Nino/Southern Oscillation (ENSO) phenomenon and the associated changes in the Walker Circulation. Changes in the surface wind stress appear to be crucial in forcing interannual variations in the Indian Ocean SST. As in the Pacific Ocean, the net surface heat flux acts as a negative feedback on the SST anomalies. The interannual variability in Monsoon rainfall is simulated by the coupled GCM only about half as strongly as observed. (orig.)

  20. Optimizing Biomass Feedstock Logistics for Forest Residue Processing and Transportation on a Tree-Shaped Road Network

    Directory of Open Access Journals (Sweden)

    Hee Han

    2018-03-01

    Full Text Available An important task in forest residue recovery operations is to select the most cost-efficient feedstock logistics system for a given distribution of residue piles, road access, and available machinery. Notable considerations include inaccessibility of treatment units to large chip vans and frequent, long-distance mobilization of forestry equipment required to process dispersed residues. In this study, we present optimized biomass feedstock logistics on a tree-shaped road network that take into account the following options: (1 grinding residues at the site of treatment and forwarding ground residues either directly to bioenergy facility or to a concentration yard where they are transshipped to large chip vans, (2 forwarding residues to a concentration yard where they are stored and ground directly into chip vans, and (3 forwarding residues to a nearby grinder location and forwarding the ground materials. A mixed-integer programming model coupled with a network algorithm was developed to solve the problem. The model was applied to recovery operations on a study site in Colorado, USA, and the optimal solution reduced the cost of logistics up to 11% compared to the conventional system. This is an important result because this cost reduction propagates downstream through the biomass supply chain, reducing production costs for bioenergy and bioproducts.

  1. Molecular basis of cannabinoid CB1 receptor coupling to the G protein heterotrimer Gαiβγ: identification of key CB1 contacts with the C-terminal helix α5 of Gαi.

    Science.gov (United States)

    Shim, Joong-Youn; Ahn, Kwang H; Kendall, Debra A

    2013-11-08

    The cannabinoid (CB1) receptor is a member of the rhodopsin-like G protein-coupled receptor superfamily. The human CB1 receptor, which is among the most expressed receptors in the brain, has been implicated in several disease states, including drug addiction, anxiety, depression, obesity, and chronic pain. Different classes of CB1 agonists evoke signaling pathways through the activation of specific subtypes of G proteins. The molecular basis of CB1 receptor coupling to its cognate G protein is unknown. As a first step toward understanding CB1 receptor-mediated G protein signaling, we have constructed a ternary complex structural model of the CB1 receptor and Gi heterotrimer (CB1-Gi), guided by the x-ray structure of β2-adrenergic receptor (β2AR) in complex with Gs (β2AR-Gs), through 824-ns duration molecular dynamics simulations in a fully hydrated 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine bilayer environment. We identified a group of residues at the juxtamembrane regions of the intracellular loops 2 and 3 (IC2 and IC3) of the CB1 receptor, including Ile-218(3.54), Tyr-224(IC2), Asp-338(6.30), Arg-340(6.32), Leu-341(6.33), and Thr-344(6.36), as potential key contacts with the extreme C-terminal helix α5 of Gαi. Ala mutations of these residues at the receptor-Gi interface resulted in little G protein coupling activity, consistent with the present model of the CB1-Gi complex, which suggests tight interactions between CB1 and the extreme C-terminal helix α5 of Gαi. The model also suggests that unique conformational changes in the extreme C-terminal helix α5 of Gα play a crucial role in the receptor-mediated G protein activation.

  2. Numerical Analysis of Joule Heating Behavior and Residual Compressive Stress around Crack Tip under High Electric Load

    Directory of Open Access Journals (Sweden)

    Thomas Jin-Chee Liu

    2017-01-01

    Full Text Available This paper discusses the Joule heating effect and residual compressive stress near the crack tip under the electro-thermo-structural coupling state. For the crack tip field, the compressive condition is important for retarding or stopping the crack growth.

  3. Coupled Quantum Fluctuations and Quantum Annealing

    Science.gov (United States)

    Hormozi, Layla; Kerman, Jamie

    We study the relative effectiveness of coupled quantum fluctuations, compared to single spin fluctuations, in the performance of quantum annealing. We focus on problem Hamiltonians resembling the the Sherrington-Kirkpatrick model of Ising spin glass and compare the effectiveness of different types of fluctuations by numerically calculating the relative success probabilities and residual energies in fully-connected spin systems. We find that for a small class of instances coupled fluctuations can provide improvement over single spin fluctuations and analyze the properties of the corresponding class. Disclaimer: This research was funded by ODNI, IARPA via MIT Lincoln Laboratory under Air Force Contract No. FA8721-05-C-0002. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of ODNI, IARPA, or the US Government.

  4. Hierarchical and coupling model of factors influencing vessel traffic flow.

    Directory of Open Access Journals (Sweden)

    Zhao Liu

    Full Text Available Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system.

  5. Extracellular acidification activates ovarian cancer G-protein-coupled receptor 1 and GPR4 homologs of zebra fish

    Energy Technology Data Exchange (ETDEWEB)

    Mochimaru, Yuta [Laboratory of Cell Signaling Regulation, Department of Life Sciences, School of Agriculture, Meiji University, Kawasaki 214-8571 (Japan); Azuma, Morio [Laboratory of Regulatory Biology, Graduate School of Science and Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Oshima, Natsuki; Ichijo, Yuta; Satou, Kazuhiro [Laboratory of Cell Signaling Regulation, Department of Life Sciences, School of Agriculture, Meiji University, Kawasaki 214-8571 (Japan); Matsuda, Kouhei [Laboratory of Regulatory Biology, Graduate School of Science and Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Asaoka, Yoichi; Nishina, Hiroshi [Department of Developmental and Regenerative Biology, Medical Research Institute, Tokyo Medical and Dental University, Tokyo 113-8510 (Japan); Nakakura, Takashi [Department of Anatomy, Graduate School of Medicine, Teikyo University, 2-11-1 Kaga Itabashi-Ku, Tokyo 173-8605 (Japan); Mogi, Chihiro; Sato, Koichi; Okajima, Fumikazu [Laboratory of Signal Transduction, Institute for Molecular and Cellular Regulation, Gunma University, Maebashi 371-8512 (Japan); Tomura, Hideaki, E-mail: tomurah@meiji.ac.jp [Laboratory of Cell Signaling Regulation, Department of Life Sciences, School of Agriculture, Meiji University, Kawasaki 214-8571 (Japan)

    2015-02-20

    Mammalian ovarian G-protein-coupled receptor 1 (OGR1) and GPR4 are identified as a proton-sensing G-protein-coupled receptor coupling to multiple intracellular signaling pathways. In the present study, we examined whether zebra fish OGR1 and GPR4 homologs (zOGR1 and zGPR4) could sense protons and activate the multiple intracellular signaling pathways and, if so, whether the similar positions of histidine residue, which is critical for sensing protons in mammalian OGR and GPR4, also play a role to sense protons and activate the multiple signaling pathways in the zebra fish receptors. We found that extracellular acidic pH stimulated CRE-, SRE-, and NFAT-promoter activities in zOGR1 overexpressed cells and stimulated CRE- and SRE- but not NFAT-promoter activities in zGPR4 overexpressed cells. The substitution of histidine residues at the 12th, 15th, 162th, and 264th positions from the N-terminal of zOGR1 with phenylalanine attenuated the proton-induced SRE-promoter activities. The mutation of the histidine residue at the 78th but not the 84th position from the N-terminal of zGPR4 to phenylalanine attenuated the proton-induced SRE-promoter activities. These results suggest that zOGR1 and zGPR4 are also proton-sensing G-protein-coupled receptors, and the receptor activation mechanisms may be similar to those of the mammalian receptors. - Highlights: • Zebra fish OGR1 and GPR4 homologs (zOGR1, zGPR4) are proton-sensing receptors. • The signaling pathways activated by zOGR1 and zGPR4 are different. • Histidine residues critical for sensing protons are conserved.

  6. A survey of residual analysis and a new test of residual trend.

    Science.gov (United States)

    McDowell, J J; Calvin, Olivia L; Klapes, Bryan

    2016-05-01

    A survey of residual analysis in behavior-analytic research reveals that existing methods are problematic in one way or another. A new test for residual trends is proposed that avoids the problematic features of the existing methods. It entails fitting cubic polynomials to sets of residuals and comparing their effect sizes to those that would be expected if the sets of residuals were random. To this end, sampling distributions of effect sizes for fits of a cubic polynomial to random data were obtained by generating sets of random standardized residuals of various sizes, n. A cubic polynomial was then fitted to each set of residuals and its effect size was calculated. This yielded a sampling distribution of effect sizes for each n. To test for a residual trend in experimental data, the median effect size of cubic-polynomial fits to sets of experimental residuals can be compared to the median of the corresponding sampling distribution of effect sizes for random residuals using a sign test. An example from the literature, which entailed comparing mathematical and computational models of continuous choice, is used to illustrate the utility of the test. © 2016 Society for the Experimental Analysis of Behavior.

  7. Phytotoxicity and groundwater impacts of leaching from thermal treatment residues in roadways.

    Science.gov (United States)

    Phoungthong, Khamphe; Shao, Li-Ming; He, Pin-Jing; Zhang, Hua

    2018-01-01

    The use of coal fly ash (CFA), municipal solid waste incinerator bottom ash (MSWIBA) and flue gas desulfurization residue (FGDR) in road construction has become very common owing to its economical advantages. However, these residues may contain toxic constituents that pose an environmental risk if they leach out and flow through the soil, surface water and groundwater. Therefore, it is necessary to assess the ecotoxicity and groundwater impact of these residues before decisions can be made regarding their utilization for road construction. In this study, the physico-chemical characteristics, leaching and phytotoxicity of these residues were investigated. Specifically, multivariate analyses were used to evaluate the contributions of the leaching constituents of the CFA, MSWIBA and FGDR leachates to the germination index of wheat seeds. B, Ba, Cr, Cu, Fe and Pb were found to be more toxic to the wheat seeds than the other heavy metals. Furthermore, the leached concentrations of the constituents from the CFA, MSWIBA and FGDR were below the regulatory threshold limits of the Chinese identification standard for hazardous wastes. Analyses conducted using a numerical groundwater model (WiscLEACH) indicated that the predicted field concentrations of metals from the CFA, MSWIBA and FGDR increased with time up to about 30years at the point of compliance, then decreased with time and distance. Overall, this study demonstrated that the risks resulting from MSWIBA, CFA and FGDR leaching could be assessed before its utilization for road construction, providing crucial information for the adoption of these alternative materials. Copyright © 2016. Published by Elsevier B.V.

  8. Electrical coupling between hippocampal astrocytes in rat brain slices.

    Science.gov (United States)

    Meme, William; Vandecasteele, Marie; Giaume, Christian; Venance, Laurent

    2009-04-01

    Gap junctions in astrocytes play a crucial role in intercellular communication by supporting both biochemical and electrical coupling between adjacent cells. Despite the critical role of electrical coupling in the network organization of these glial cells, the electrophysiological properties of gap junctions have been characterized in cultures while no direct evidence has been sought in situ. In the present study, gap-junctional currents were investigated using simultaneous dual whole-cell patch-clamp recordings between astrocytes from rat hippocampal slices. Bidirectional electrotonic coupling was observed in 82% of the cell pairs with an average coupling coefficient of 5.1%. Double patch-clamp analysis indicated that junctional currents were independent of the transjunctional voltage over a range from -100 to +110 mV. Interestingly, astrocytic electrical coupling displayed weak low-pass filtering properties compared to neuronal electrical synapses. Finally, during uncoupling processes triggered by either the gap-junction inhibitor carbenoxolone or endothelin-1, an increase in the input resistance in the injected cell paralleled the decrease in the coupling coefficient. Altogether, these results demonstrate that hippocampal astrocytes are electrically coupled through gap-junction channels characterized by properties that are distinct from those of electrical synapses between neurons. In addition, gap-junctional communication is efficiently regulated by endogenous compounds. This is taken to represent a mode of communication that may have important implications for the functional role of astrocyte networks in situ.

  9. Measurement reduction for mutual coupling calibration in DOA estimation

    Science.gov (United States)

    Aksoy, Taylan; Tuncer, T. Engin

    2012-01-01

    Mutual coupling is an important source of error in antenna arrays that should be compensated for super resolution direction-of-arrival (DOA) algorithms, such as Multiple Signal Classification (MUSIC) algorithm. A crucial step in array calibration is the determination of the mutual coupling coefficients for the antenna array. In this paper, a system theoretic approach is presented for the mutual coupling characterization of antenna arrays. The comprehension and implementation of this approach is simple leading to further advantages in calibration measurement reduction. In this context, a measurement reduction method for antenna arrays with omni-directional and identical elements is proposed which is based on the symmetry planes in the array geometry. The proposed method significantly decreases the number of measurements during the calibration process. This method is evaluated using different array types whose responses and the mutual coupling characteristics are obtained through numerical electromagnetic simulations. It is shown that a single calibration measurement is sufficient for uniform circular arrays. Certain important and interesting characteristics observed during the experiments are outlined.

  10. Combined Role of Two Tryptophane Residues of α-Factor Pheromone

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Eun Young [Yeungnam Univ., Gyungsan (Korea, Republic of); Hong, Nam Joo [Seoul National Univ., Seoul (Korea, Republic of)

    2013-02-15

    Amide analogs of tridecapeptide α-factor (WHWLQLKPGQPMYCONH{sub 2}) of Saccharomyces cerevisiae, in which Trp at position 1 and 3 were replaced with other residues, were synthesized to ascertain whether cooperative interactions between two Trp residues occurred upon binding with its receptor. Analogs containing Ala or Aib at position 3 of the peptide [Ala{sup 3}]α-factor amide (2) and [Aib{sup 3}]α-factor amide (5) exhibited greater decreases in bioactivity than analogs with same residue at position one [Ala{sup 1}]α-factor amide (1) and [Aib{sup 1}]α-factor amide (4), reflecting that Trp{sup 3} may plays more important role than Trp{sup 1} for agonist activity. Analogs containing Ala or Aib in both position one and three 3, 6 exhibited complete loss of bioactivity, emphasizing both the essential role and the combined role of two indole rings for triggering cell signaling. In contrast, double substituted analog with D-Trp in both positions 9 exhibited greater activity than single substituted analog with D-Trp 8 or deleted analog 7, reflecting the combined contribution of two tryptophane residues of α-factor ligand to activation of Ste2p through interaction with residue Tyr{sup 266} and importance of the proper parallel orientation of two indole rings for efficient triggering of signal G protein coupled activation. Among ten amide analogs, [Ala{sup 1,3}]α-factor amide (3), [Aib{sup 1,3}]α-factor amide (6), [D-Trp{sup 3}]α-factor amide (8) and [des-Trp{sup 1},Phe{sup 3}]α-factor amide (10) were found to have antagonistic activity. Analogs 3 and 6 showed greater antagonistic activity than analogs 8 and 10.

  11. Combined Role of Two Tryptophane Residues of α-Factor Pheromone

    International Nuclear Information System (INIS)

    Hong, Eun Young; Hong, Nam Joo

    2013-01-01

    Amide analogs of tridecapeptide α-factor (WHWLQLKPGQPMYCONH 2 ) of Saccharomyces cerevisiae, in which Trp at position 1 and 3 were replaced with other residues, were synthesized to ascertain whether cooperative interactions between two Trp residues occurred upon binding with its receptor. Analogs containing Ala or Aib at position 3 of the peptide [Ala 3 ]α-factor amide (2) and [Aib 3 ]α-factor amide (5) exhibited greater decreases in bioactivity than analogs with same residue at position one [Ala 1 ]α-factor amide (1) and [Aib 1 ]α-factor amide (4), reflecting that Trp 3 may plays more important role than Trp 1 for agonist activity. Analogs containing Ala or Aib in both position one and three 3, 6 exhibited complete loss of bioactivity, emphasizing both the essential role and the combined role of two indole rings for triggering cell signaling. In contrast, double substituted analog with D-Trp in both positions 9 exhibited greater activity than single substituted analog with D-Trp 8 or deleted analog 7, reflecting the combined contribution of two tryptophane residues of α-factor ligand to activation of Ste2p through interaction with residue Tyr 266 and importance of the proper parallel orientation of two indole rings for efficient triggering of signal G protein coupled activation. Among ten amide analogs, [Ala 1,3 ]α-factor amide (3), [Aib 1,3 ]α-factor amide (6), [D-Trp 3 ]α-factor amide (8) and [des-Trp 1 ,Phe 3 ]α-factor amide (10) were found to have antagonistic activity. Analogs 3 and 6 showed greater antagonistic activity than analogs 8 and 10

  12. Complementary and alternative medicine usage and its determinant factors among Iranian infertile couples.

    Science.gov (United States)

    Dehghan, Mahlagha; Mokhtarabadi, Sima; Heidari, Fatemeh Ghaedi

    2018-04-04

    Background The aim of this study was to determine the status of utilizing some complementary and alternative medicine techniques in infertile couples. Methods This was a cross-sectional study conducted on 250 infertile couples referred to a hospital in Kerman using convenience sampling. A researcher-made questionnaire was used to study the prevalence and user satisfaction of complementary and alternative medicines. Results Results indicated that 49.6% of the infertile couples used at least one of the complementary and alternative medicines during the past year. Most individuals used spiritual techniques (71.8% used praying and 70.2% used Nazr) and medicinal plants (54.8%). Safety is the most important factor affecting the satisfaction of infertile couples with complementary treatments (couples think that such treatments are safe (54.8%)). Discussion Concerning high prevalence of complementary and alternative treatments in infertile couples, incorporating such treatments into the healthcare education and promoting the awareness of infertile individuals seem crucial.

  13. Influence of weld-induced residual stresses on the hysteretic behavior of a girth-welded circular stainless steel tube

    Science.gov (United States)

    Lee, Chin-Hyung; Nguyen Van Do, Vuong; Chang, Kyong-Ho; Jeon, Jun-Tai; Um, Tae-Hwan

    2018-04-01

    The present study attempts to characterize the relevance of welding residual stresses to the hysteretic behaviour of a girth-welded circular stainless steel tube under cyclic mechanical loadings. Finite element (FE) thermal simulation of the girth butt welding process is first performed to identify the weld-induced residual stresses by using the one-way coupled three-dimensional (3-D) thermo-mechanical FE analysis method. 3-D elastic-plastic FE analysis equipped with the cyclic plasticity constitutive model capable of describing the cyclic response is next carried out to scrutinize the effects that the residual stresses have on the hysteretic performance of the girth-welded steel tube exposed to cyclic axial loading, which takes the residual stresses and plastic strains calculated from the preceding thermo-mechanical analysis as the initial condition. The analytical results demonstrate that the residual stresses bring about premature yielding and deterioration of the load carrying capacity in the elastic and the transition load ranges, whilst the residual stress effect is wiped out quickly in the plastic load domain since the residual stresses are nearly wholly relaxed after application of the cyclic plastic loading.

  14. Influence of the microstructural changes and induced residual stresses on tensile properties of wrought magnesium alloy friction stir welds

    International Nuclear Information System (INIS)

    Commin, Loreleï; Dumont, Myriam; Rotinat, René; Pierron, Fabrice; Masse, Jean-Eric; Barrallier, Laurent

    2012-01-01

    Highlights: ► Study of AZ31 FSW mechanical behaviour. ► Early yielding occurs in the TMAZ, the nugget and base metal zones undergo almost no plastic strains. ► Texture gradient in the TMAZ localises the deformations in this area. ► Residual stresses have a major influence in FSW mechanical behaviour. - Abstract: Friction stir welding induces a microstructural evolution and residual stresses that will influence the resulting mechanical properties. Friction stir welds produced from magnesium alloy hot rolled plates were studied. Electron back scattered diffraction was used to determine the texture evolution, residual stresses were analysed using X ray diffraction and tensile tests coupled with speckle interferometry were performed. The residual stresses induced during friction stir welding present a major influence on the final mechanical properties.

  15. Minimally coupled N-particle scattering integral equations

    International Nuclear Information System (INIS)

    Kowalski, K.L.

    1977-01-01

    A concise formalism is developed which permits the efficient representation and generalization of several known techniques for deriving connected-kernel N-particle scattering integral equations. The methods of Kouri, Levin, and Tobocman and Bencze and Redish which lead to minimally coupled integral equations are of special interest. The introduction of channel coupling arrays is characterized in a general manner and the common base of this technique and that of the so-called channel coupling scheme is clarified. It is found that in the Bencze-Redish formalism a particular coupling array has a crucial function but one different from that of the arrays employed by Kouri, Levin, and Tobocman. The apparent dependence of the proof of the minimality of the Bencze-Redish integral equations upon the form of the inhomogeneous term in these equations is eliminated. This is achieved by an investigation of the full (nonminimal) Bencze-Redish kernel. It is shown that the second power of this operator is connected, a result which is needed for the full applicability of the Bencze-Redish formalism. This is used to establish the relationship between the existence of solutions to the homogeneous form of the minimal equations and eigenvalues of the full Bencze-Redish kernel

  16. Molecular characterization of the gerbil C5a receptor and identification of a transmembrane domain V amino acid that is crucial for small molecule antagonist interaction.

    Science.gov (United States)

    Waters, Stephen M; Brodbeck, Robbin M; Steflik, Jeremy; Yu, Jianying; Baltazar, Carolyn; Peck, Amy E; Severance, Daniel; Zhang, Lu Yan; Currie, Kevin; Chenard, Bertrand L; Hutchison, Alan J; Maynard, George; Krause, James E

    2005-12-09

    Anaphylatoxin C5a is a potent inflammatory mediator associated with pathogenesis and progression of several inflammation-associated disorders. Small molecule C5a receptor (C5aR) antagonist development is hampered by species-specific receptor biology and the associated inability to use standard rat and mouse in vivo models. Gerbil is one rodent species reportedly responsive to small molecule C5aR antagonists with human C5aR affinity. We report the identification of the gerbil C5aR cDNA using a degenerate primer PCR cloning strategy. The nucleotide sequence revealed an open reading frame encoding a 347-amino acid protein. The cloned receptor (expressed in Sf9 cells) bound recombinant human C5a with nanomolar affinity. Alignment of the gerbil C5aR sequence with those from other species showed that a Trp residue in transmembrane domain V is the only transmembrane domain amino acid unique to small molecule C5aR antagonist-responsive species (i.e. gerbil, human, and non-human primate). Site-directed mutagenesis was used to generate human and mouse C5aRs with a residue exchange of this Trp residue. Mutation of Trp to Leu in human C5aR completely eliminated small molecule antagonist-receptor interaction. In contrast, mutation of Leu to Trp in mouse C5aR enabled small molecule antagonist-receptor interaction. This crucial Trp residue is located deeper within transmembrane domain V than residues reportedly involved in C5a- and cyclic peptide C5a antagonist-receptor interaction, suggesting a novel interaction site(s) for small molecule antagonists. These data provide insight into the basis for small molecule antagonist species selectivity and further define sites critical for C5aR activation and function.

  17. Electron-Mediated Phonon-Phonon Coupling Drives the Vibrational Relaxation of CO on Cu(100)

    Science.gov (United States)

    Novko, D.; Alducin, M.; Juaristi, J. I.

    2018-04-01

    We bring forth a consistent theory for the electron-mediated vibrational intermode coupling that clarifies the microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces. Our analysis points out the inability of state-of-the-art nonadiabatic theories to quantitatively reproduce the experimental linewidth of the CO internal stretch mode on Cu(100) and it emphasizes the crucial role of the electron-mediated phonon-phonon coupling in this regard. The results demonstrate a strong electron-mediated coupling between the internal stretch and low-energy CO modes, but also a significant role of surface motion. Our nonadiabatic theory is also able to explain the temperature dependence of the internal stretch phonon linewidth, thus far considered a sign of the direct anharmonic coupling.

  18. Determination of veterinary antibiotic residues in foods of animal origin by liquid chromatography

    Directory of Open Access Journals (Sweden)

    Pedro Enrique La Rosa Zambrano

    2018-05-01

    Full Text Available TITLE: Determination of veterinary antibiotic residues in foods of animal origin by liquid chromatography Introduction: The presence of certain infectious agents makes necessary the use of antibiotics to ensure the welfare of animals destined for human consumption; however, the withdrawal time must be considered and respected since there is the possibility of finding residues above the permitted levels, which could constitute a risk to public health. Objective: Present a collection of information based on how is performed the detection and quantification of antibiotic residues in various products of animal origin using chromatography methods. Method: Review of databases in Elsevier, SciELO, Springer, Hindawi, FAO, EFSA, Senasa and Sanipes, using keywords such as “liquid chromatography”, “mass spectrometry”, “antibiotic residues” and “products of animal origin” in Spanish and English. Results: They were selected 71 references among articles, book chapters, norms and regulations published between 2000 and 2017, which it is emphasized that chromatographic methodologies for antibiotic residues monitoring must be sensitive, reproducible, reliable and identify volumes in mg/kg; likewise, they must follow the requirements of international standards for the maximum residue limits detecction. Conclusions: Liquid chromatography coupled to a mass spectrometer is the most used technique to allow the separation of complex matrices based on the molecular weight of the compound (antibiotic or its fragments; however, It is complex, expensive and requires highly trained personnel.

  19. Dissipation and Residues of Dichlorprop-P and Bentazone in Wheat-Field Ecosystem

    Directory of Open Access Journals (Sweden)

    Xiaoxiao Feng

    2016-05-01

    Full Text Available Dichlorprop-P and bentazone have been widely used in the prevention and control of weeds in wheat field ecosystems. There is a concern that pesticide residues and metabolites remain on or in the wheat. Thus, the study of the determination and monitoring of their residues in wheat has important significance. A rapid, simple and reliable QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe method was modified, developed and validated for the determination of dichlorprop-P, bentazone and its metabolites (6-hydroxy-bentazone and 8-hydroxy-bentazone in wheat (wheat plants, wheat straw and grains of wheat using high-performance liquid chromatography coupled with tandem mass spectrometry (HPLC-MS/MS. The average recoveries of this method ranged from 72.9% to 108.7%, and the limits of quantification (LOQs were 2.5–12 μg/kg. The dissipation and final residue of four compounds in three provinces (Shandong, Jiangsu and Heilongjiang in China were studied. The trial results showed that the half-lives of dichlorprop-P and bentazone were 1.9–2.5 days and 0.5–2.4 days in wheat plants, respectively. The terminal residues in grains of wheat and wheat straw at harvest were all much below the maximum residue limit (MRL of 0.2 mg/kg for dichlorprop-P and 0.1 mg/kg for bentazone established by the European Union (EU, Regulation No. 396/2005.

  20. Modelling residual stresses in friction stir welding of Al alloys - a review of possibilities and future trends

    DEFF Research Database (Denmark)

    Hattel, Jesper Henri; Sonne, Mads Rostgaard; Tutum, Cem C.

    2015-01-01

    Residual stresses are very important in any joining process of materials since they act as pre-stresses in the loading situation of the joint, thereby affecting the final mechanical performance of the component. This is also the case for friction stir welding (FSW) which is a complex solid-state ......, numerical framework and application as well as putting them into proper context with respect to some of the new trends in the field, e.g. coupling with subsequent load analyses of the in-service situation or applying residual stress models of FSWin numerical optimization.......Residual stresses are very important in any joining process of materials since they act as pre-stresses in the loading situation of the joint, thereby affecting the final mechanical performance of the component. This is also the case for friction stir welding (FSW) which is a complex solid......-state joining process characterized by a pronounced multiphysical behaviour involving phenomena such as change of temperature, material flow, change of microstructures and formation of residual stresses. Thus, models of FSWare typically divided into thermal models, flow models, residual stress models...

  1. Identification of NAD interacting residues in proteins

    Directory of Open Access Journals (Sweden)

    Raghava Gajendra PS

    2010-03-01

    Full Text Available Abstract Background Small molecular cofactors or ligands play a crucial role in the proper functioning of cells. Accurate annotation of their target proteins and binding sites is required for the complete understanding of reaction mechanisms. Nicotinamide adenine dinucleotide (NAD+ or NAD is one of the most commonly used organic cofactors in living cells, which plays a critical role in cellular metabolism, storage and regulatory processes. In the past, several NAD binding proteins (NADBP have been reported in the literature, which are responsible for a wide-range of activities in the cell. Attempts have been made to derive a rule for the binding of NAD+ to its target proteins. However, so far an efficient model could not be derived due to the time consuming process of structure determination, and limitations of similarity based approaches. Thus a sequence and non-similarity based method is needed to characterize the NAD binding sites to help in the annotation. In this study attempts have been made to predict NAD binding proteins and their interacting residues (NIRs from amino acid sequence using bioinformatics tools. Results We extracted 1556 proteins chains from 555 NAD binding proteins whose structure is available in Protein Data Bank. Then we removed all redundant protein chains and finally obtained 195 non-redundant NAD binding protein chains, where no two chains have more than 40% sequence identity. In this study all models were developed and evaluated using five-fold cross validation technique on the above dataset of 195 NAD binding proteins. While certain type of residues are preferred (e.g. Gly, Tyr, Thr, His in NAD interaction, residues like Ala, Glu, Leu, Lys are not preferred. A support vector machine (SVM based method has been developed using various window lengths of amino acid sequence for predicting NAD interacting residues and obtained maximum Matthew's correlation coefficient (MCC 0.47 with accuracy 74.13% at window length 17

  2. Reducing residual stresses and deformations in selective laser melting through multi-level multi-scale optimization of cellular scanning strategy

    DEFF Research Database (Denmark)

    Mohanty, Sankhya; Hattel, Jesper Henri

    2016-01-01

    . A multilevel optimization strategy is adopted using a customized genetic algorithm developed for optimizing cellular scanning strategy for selective laser melting, with an objective of reducing residual stresses and deformations. The resulting thermo-mechanically optimized cellular scanning strategies......, a calibrated, fast, multiscale thermal model coupled with a 3D finite element mechanical model is used to simulate residual stress formation and deformations during selective laser melting. The resulting reduction in thermal model computation time allows evolutionary algorithm-based optimization of the process...

  3. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk.

    Science.gov (United States)

    Xia, Yi; Zhang, Hua; Phoungthong, Khamphe; Shi, Dong-Xiao; Shen, Wen-Hui; Shao, Li-Ming; He, Pin-Jing

    2015-08-01

    Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO3 and CaSiO3 began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca3(PO4)2 leached at pHleaching rate for the different calcium-based compounds is as follows: CaSiO3>Ca3(PO4)2>CaCO3. The calcium leaching from the MSWIBA and SAPCR separately started from pHleaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the theoretical basis for the risk assessment pertaining to LCS clogging in landfills. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. FE-simulation of hot forging with an integrated heat treatment with the objective of residual stress prediction

    Science.gov (United States)

    Behrens, Bernd-Arno; Chugreeva, Anna; Chugreev, Alexander

    2018-05-01

    Hot forming as a coupled thermo-mechanical process comprises numerous material phenomena with a corresponding impact on the material behavior during and after the forming process as well as on the final component performance. In this context, a realistic FE-simulation requires reliable mathematical models as well as detailed thermo-mechanical material data. This paper presents experimental and numerical results focused on the FE-based simulation of a hot forging process with a subsequent heat treatment step aiming at the prediction of the final mechanical properties and residual stress state in the forged component made of low alloy CrMo-steel DIN 42CrMo4. For this purpose, hot forging experiments of connecting rod geometry with a corresponding metallographic analysis and x-ray residual stress measurements have been carried out. For the coupled thermo-mechanical-metallurgical FE-simulations, a special user-defined material model based on the additive strain decomposition method and implemented in Simufact Forming via MSC.Marc solver features has been used.

  5. A proactive and holistic information management approach is crucial ...

    African Journals Online (AJOL)

    ESARBICA Journal: Journal of the Eastern and Southern Africa Regional Branch of ... holistic information management approach is crucial to e-government development ... and to develop new electronic services hence boosting innovation.

  6. Spin relaxation in nanowires by hyperfine coupling

    International Nuclear Information System (INIS)

    Echeverria-Arrondo, C.; Sherman, E.Ya.

    2012-01-01

    Hyperfine interactions establish limits on spin dynamics and relaxation rates in ensembles of semiconductor quantum dots. It is the confinement of electrons which determines nonzero hyperfine coupling and leads to the spin relaxation. As a result, in nanowires one would expect the vanishing of this effect due to extended electron states. However, even for relatively clean wires, disorder plays a crucial role and makes electron localization sufficient to cause spin relaxation on the time scale of the order of 10 ns. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Evaluation of residue-residue contact predictions in CASP9

    KAUST Repository

    Monastyrskyy, Bohdan; Fidelis, Krzysztof; Tramontano, Anna; Kryshtafovych, Andriy

    2011-01-01

    This work presents the results of the assessment of the intramolecular residue-residue contact predictions submitted to CASP9. The methodology for the assessment does not differ from that used in previous CASPs, with two basic evaluation measures

  8. Rapid Detection of Pesticide Residues in Chinese Herbal Medicines by Fourier Transform Infrared Spectroscopy Coupled with Partial Least Squares Regression

    Directory of Open Access Journals (Sweden)

    Tianming Yang

    2016-01-01

    Full Text Available This paper reports a simple, rapid, and effective method for simultaneous detection of cartap (Ca, thiocyclam (Th, and tebufenozide (Te in Chinese herbal medicines including Radix Angelicae Dahuricae and Liquorices using Fourier transform infrared spectroscopy (FT-IR coupled with partial least squares regression (PLSR. The proposed method can handle the intrinsic interferences of herbal samples; satisfactory average recoveries attained from near-infrared (NIR and mid-infrared (MIR PLSR models were 99.0±10.8 and 100.2±1.0% for Ca, 100.2±6.9 and 99.7±2.5% for Th, and 99.1±6.3 and 99.6±1.0% for Te, respectively. Furthermore, some statistical parameters and figures of merit are fully investigated to evaluate the performance of the two models. It was found that both models could give accurate results and only the performance of MIR-PLSR was slightly better than that of NIR-PLSR in the cases suffering from herbal matrix interferences. In conclusion, FT-IR spectroscopy in combination with PLSR has been demonstrated for its application in rapid screening and quantitative analysis of multipesticide residues in Chinese herbal medicines without physical or chemical separation pretreatment step and any spectral processing, which also implies other potential applications such as food and drug safety, herbal plants quality, and environmental evaluation, due to its advantages of nontoxic and nondestructive analysis.

  9. Free-Suspension Residual Flexibility Testing of Space Station Pathfinder: Comparison to Fixed-Base Results

    Science.gov (United States)

    Tinker, Michael L.

    1998-01-01

    Application of the free-suspension residual flexibility modal test method to the International Space Station Pathfinder structure is described. The Pathfinder, a large structure of the general size and weight of Space Station module elements, was also tested in a large fixed-base fixture to simulate Shuttle Orbiter payload constraints. After correlation of the Pathfinder finite element model to residual flexibility test data, the model was coupled to a fixture model, and constrained modes and frequencies were compared to fixed-base test. modes. The residual flexibility model compared very favorably to results of the fixed-base test. This is the first known direct comparison of free-suspension residual flexibility and fixed-base test results for a large structure. The model correlation approach used by the author for residual flexibility data is presented. Frequency response functions (FRF) for the regions of the structure that interface with the environment (a test fixture or another structure) are shown to be the primary tools for model correlation that distinguish or characterize the residual flexibility approach. A number of critical issues related to use of the structure interface FRF for correlating the model are then identified and discussed, including (1) the requirement of prominent stiffness lines, (2) overcoming problems with measurement noise which makes the antiresonances or minima in the functions difficult to identify, and (3) the use of interface stiffness and lumped mass perturbations to bring the analytical responses into agreement with test data. It is shown that good comparison of analytical-to-experimental FRF is the key to obtaining good agreement of the residual flexibility values.

  10. Coupled-channels analyses for 9,11Li + 208Pb fusion reactions with multi-neutron transfer couplings

    Science.gov (United States)

    Choi, Ki-Seok; Cheoun, Myung-Ki; So, W. Y.; Hagino, K.; Kim, K. S.

    2018-05-01

    We discuss the role of two-neutron transfer processes in the fusion reaction of the 9,11Li + 208Pb systems. We first analyze the 9Li + 208Pb reaction by taking into account the coupling to the 7Li + 210Pb channel. To this end, we assume that two neutrons are directly transferred to a single effective channel in 210Pb and solve the coupled-channels equations with the two channels. By adjusting the coupling strength and the effective Q-value, we successfully reproduce the experimental fusion cross sections for this system. We then analyze the 11Li + 208Pb reaction in a similar manner, that is, by taking into account three effective channels with 11Li + 208Pb, 9Li + 210Pb, and 7Li + 212Pb partitions. In order to take into account the halo structure of the 11Li nucleus, we construct the potential between 11Li and 208Pb with a double folding procedure, while we employ a Woods-Saxon type potential with the global Akyüz-Winther parameters for the other channels. Our calculation indicates that the multiple two-neutron transfer process plays a crucial role in the 11Li + 208Pb fusion reaction at energies around the Coulomb barrier.

  11. Environmental consequences of shale gas exploitation and the crucial role of rock microfracturing

    Science.gov (United States)

    Renard, Francois

    2015-04-01

    The growing exploitation of unconventional gas and oil resources has dramatically changed the international market of hydrocarbons in the past ten years. However, several environmental concerns have also been identified such as the increased microseismicity, the leakage of gas into freshwater aquifers, and the enhanced water-rock interactions inducing the release of heavy metals and other toxic elements in the produced water. In all these processes, fluids are transported into a network of fracture, ranging from nanoscale microcracks at the interface between minerals and the kerogen of the source rock, to well-developed fractures at the meter scale. Characterizing the fracture network and the mechanisms of its formation remains a crucial goal. A major difficulty when analyzing fractures from core samples drilled at depth is that some of them are produced by the coring process, while some other are produced naturally at depth by the coupling between geochemical and mechanical forces. Here, I present new results of high resolution synchrotron 3D X-ray microtomography imaging of shale samples, at different resolutions, to characterize their microfractures and their mechanisms of formation. The heterogeneities of rock microstructure are also imaged, as they create local stress concentrations where cracks may nucleate or along which they propagate. The main results are that microcracks form preferentially along kerogen-mineral interfaces and propagate along initial heterogeneities according to the local stress direction, connecting to increase the total volume of fractured rock. Their lifetime is also an important parameter because they may seal by fluid circulation, fluid-rock interactions, and precipitation of a cement. Understanding the multi-scale processes of fracture network development in shales and the coupling with fluid circulation represents a key challenge for future research directions.

  12. Positive Charges on the Surface of Thaumatin Are Crucial for the Multi-Point Interaction with the Sweet Receptor.

    Science.gov (United States)

    Masuda, Tetsuya; Kigo, Satomi; Mitsumoto, Mayuko; Ohta, Keisuke; Suzuki, Mamoru; Mikami, Bunzo; Kitabatake, Naofumi; Tani, Fumito

    2018-01-01

    Thaumatin, an intensely sweet-tasting protein, elicits sweet taste with a threshold of only 50 nM. Previous studies from our laboratory suggested that the complex model between the T1R2-T1R3 sweet receptor and thaumatin depends critically on the complementarity of electrostatic potentials. In order to further validate this model, we focused on three lysine residues (Lys78, Lys106, and Lys137), which were expected to be part of the interaction sites. Three thaumatin mutants (K78A, K106A, and K137A) were prepared and their threshold values of sweetness were examined. The results showed that the sweetness of K106A was reduced by about three times and those of K78A and K137A were reduced by about five times when compared to wild-type thaumatin. The three-dimensional structures of these mutants were also determined by X-ray crystallographic analyses at atomic resolutions. The overall structures of mutant proteins were similar to that of wild-type but the electrostatic potentials around the mutated sites became more negative. Since the three lysine residues are located in 20-40 Å apart each other on the surface of thaumatin molecule, these results suggest the positive charges on the surface of thaumatin play a crucial role in the interaction with the sweet receptor, and are consistent with a large surface is required for interaction with the sweet receptor, as proposed by the multipoint interaction model named wedge model.

  13. Positive Charges on the Surface of Thaumatin Are Crucial for the Multi-Point Interaction with the Sweet Receptor

    Directory of Open Access Journals (Sweden)

    Tetsuya Masuda

    2018-02-01

    Full Text Available Thaumatin, an intensely sweet-tasting protein, elicits sweet taste with a threshold of only 50 nM. Previous studies from our laboratory suggested that the complex model between the T1R2-T1R3 sweet receptor and thaumatin depends critically on the complementarity of electrostatic potentials. In order to further validate this model, we focused on three lysine residues (Lys78, Lys106, and Lys137, which were expected to be part of the interaction sites. Three thaumatin mutants (K78A, K106A, and K137A were prepared and their threshold values of sweetness were examined. The results showed that the sweetness of K106A was reduced by about three times and those of K78A and K137A were reduced by about five times when compared to wild-type thaumatin. The three-dimensional structures of these mutants were also determined by X-ray crystallographic analyses at atomic resolutions. The overall structures of mutant proteins were similar to that of wild-type but the electrostatic potentials around the mutated sites became more negative. Since the three lysine residues are located in 20–40 Å apart each other on the surface of thaumatin molecule, these results suggest the positive charges on the surface of thaumatin play a crucial role in the interaction with the sweet receptor, and are consistent with a large surface is required for interaction with the sweet receptor, as proposed by the multipoint interaction model named wedge model.

  14. Rapid measurement of residual dipolar couplings for fast fold elucidation of proteins

    Energy Technology Data Exchange (ETDEWEB)

    Rasia, Rodolfo M. [Jean-Pierre Ebel CNRS/CEA/UJF, Institut de Biologie Structurale (France); Lescop, Ewen [CNRS, Institut de Chimie des Substances Naturelles (France); Palatnik, Javier F. [Universidad Nacional de Rosario, Instituto de Biologia Molecular y Celular de Rosario, Facultad de Ciencias Bioquimicas y Farmaceuticas (Argentina); Boisbouvier, Jerome, E-mail: jerome.boisbouvier@ibs.fr; Brutscher, Bernhard, E-mail: Bernhard.brutscher@ibs.fr [Jean-Pierre Ebel CNRS/CEA/UJF, Institut de Biologie Structurale (France)

    2011-11-15

    It has been demonstrated that protein folds can be determined using appropriate computational protocols with NMR chemical shifts as the sole source of experimental restraints. While such approaches are very promising they still suffer from low convergence resulting in long computation times to achieve accurate results. Here we present a suite of time- and sensitivity optimized NMR experiments for rapid measurement of up to six RDCs per residue. Including such an RDC data set, measured in less than 24 h on a single aligned protein sample, greatly improves convergence of the Rosetta-NMR protocol, allowing for overnight fold calculation of small proteins. We demonstrate the performance of our fast fold calculation approach for ubiquitin as a test case, and for two RNA-binding domains of the plant protein HYL1. Structure calculations based on simulated RDC data highlight the importance of an accurate and precise set of several complementary RDCs as additional input restraints for high-quality de novo structure determination.

  15. Chapter 11 - Electrical Coupling in the Generation of Vertebrate Motor Rhythms

    DEFF Research Database (Denmark)

    Li, W.C.; Rekling, Jens Christian

    2017-01-01

    Many forms of vertebrate motor activity like chewing, breathing, and locomotion are rhythmic. This requires synchronized discharges of motoneurons controlling different muscle groups in an orchestrated manner. We provide a brief review of the presence and role of electrical coupling in a few well...... of electrical coupling in vertebrate motor rhythms appears to be critically dependent on developmental age, with more crucial functions in the early postnatal period than in the adult.......-studied systems: the pacemaker nucleus in weakly electric fish; mesencephalic trigeminal nucleus involved in chewing rhythms; mammalian spinal motoneurons and excitatory interneurons in the Xenopus tadpole swimming circuit, brainstem circuits underlying breathing rhythm, and central respiratory chemosensitivity...

  16. Characterization and extraction of volatile compounds from pineapple (Ananas comosus L. Merril processing residues

    Directory of Open Access Journals (Sweden)

    Lília Calheiros de Oliveira Barretto

    2013-12-01

    Full Text Available The aim of this study was to extract and identify volatile compounds from pineapple residues generated during concentrated juice processing. Distillates of pineapple residues were obtained using the following techniques: simple hydrodistillation and hydrodistillation by passing nitrogen gas. The volatile compounds present in the distillates were captured by the solid-phase microextraction technique. The volatile compounds were identified in a system of high resolution gas chromatography system coupled with mass spectrometry using a polyethylene glycol polar capillary column as stationary phase. The pineapple residues constituted mostly of esters (35%, followed by ketones (26%, alcohols (18%, aldehydes (9%, acids (3% and other compounds (9%. Odor-active volatile compounds were mainly identified in the distillate obtained using hydrodistillation by passing nitrogen gas, namely decanal, ethyl octanoate, acetic acid, 1-hexanol, and ketones such as γ-hexalactone, γ-octalactone, δ-octalactone, γ-decalactone, and γ-dodecalactone. This suggests that the use of an inert gas and lower temperatures helped maintain higher amounts of flavor compounds. These data indicate that pineapple processing residue contained important volatile compounds which can be extracted and used as aroma enhancing products and have high potential for the production of value-added natural essences.

  17. Predictive hydrogeochemical modelling of bauxite residue sand in field conditions.

    Science.gov (United States)

    Wissmeier, Laurin; Barry, David A; Phillips, Ian R

    2011-07-15

    The suitability of residue sand (the coarse fraction remaining from Bayer's process of bauxite refining) for constructing the surface cover of closed bauxite residue storage areas was investigated. Specifically, its properties as a medium for plant growth are of interest to ensure residue sand can support a sustainable ecosystem following site closure. The geochemical evolution of the residue sand under field conditions, its plant nutrient status and soil moisture retention were studied by integrated modelling of geochemical and hydrological processes. For the parameterization of mineral reactions, amounts and reaction kinetics of the mineral phases natron, calcite, tricalcium aluminate, sodalite, muscovite and analcime were derived from measured acid neutralization curves. The effective exchange capacity for ion adsorption was measured using three independent exchange methods. The geochemical model, which accounts for mineral reactions, cation exchange and activity corrected solution speciation, was formulated in the geochemical modelling framework PHREEQC, and partially validated in a saturated-flow column experiment. For the integration of variably saturated flow with multi-component solute transport in heterogeneous 2D domains, a coupling of PHREEQC with the multi-purpose finite-element solver COMSOL was established. The integrated hydrogeochemical model was applied to predict water availability and quality in a vertical flow lysimeter and a cover design for a storage facility using measured time series of rainfall and evaporation from southwest Western Australia. In both scenarios the sand was fertigated and gypsum-amended. Results show poor long-term retention of fertilizer ions and buffering of the pH around 10 for more than 5 y of leaching. It was concluded that fertigation, gypsum amendment and rainfall leaching alone were insufficient to render the geochemical conditions of residue sand suitable for optimal plant growth within the given timeframe. The

  18. Global analysis of ICRF wave coupling on Tore Supra

    International Nuclear Information System (INIS)

    Goniche, M.; Bremond, S.; Colas, L.

    2003-01-01

    The Tore Supra tokamak is equipped with a multi-megawatt ion cyclotron range of frequency (ICRF) system for heating and current drive. The coupling of the fast wave to the plasma, characterized by the distributed coupling resistance along the radiating straps, is a crucial issue in order to launch large RF powers. Many factors can have an effect on ICRF wave coupling. Quantitative prediction from theoretical modelling requires the knowledge of the local inhomogeneous plasma density profile in front of the antenna for running sophisticated antenna codes. In this work, we have rather followed a 'global' approach, based on Tore Supra experimental results, for the parametric study of the coupling resistance. From a large data base covering seven experimental campaigns (∼2250 shots), a scaling law of the coupling resistance including the main parameters of the plasma and of the antenna configuration is established. This approach is found to be reliable for the analysis of coupling in the different scenarios: He/D 2 gas filling, gas/pellets for plasma fuelling, plasma leaning on inner wall/low field side limiter, limiter/ergodic divertor configuration, minority heating/direct electron heating. From one scenario to another, a significant variation of the coefficients of the scaling law is found. The study of these variations allows to get some insight on the main physical mechanisms which influence the ICRF wave coupling in a tokamak operation, such as the wall conditioning and recycling conditions, RF sheaths or frequency. (author)

  19. Adaptation dans les zones cruciales au regard des changements ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    ) vise à accroître la résilience des populations pauvres dans trois « zones cruciales » au regard des changements climatiques : les bassins hydrographiques, les deltas et les régions semi-arides.

  20. Rigid Residue Scan Simulations Systematically Reveal Residue Entropic Roles in Protein Allostery.

    Directory of Open Access Journals (Sweden)

    Robert Kalescky

    2016-04-01

    Full Text Available Intra-protein information is transmitted over distances via allosteric processes. This ubiquitous protein process allows for protein function changes due to ligand binding events. Understanding protein allostery is essential to understanding protein functions. In this study, allostery in the second PDZ domain (PDZ2 in the human PTP1E protein is examined as model system to advance a recently developed rigid residue scan method combining with configurational entropy calculation and principal component analysis. The contributions from individual residues to whole-protein dynamics and allostery were systematically assessed via rigid body simulations of both unbound and ligand-bound states of the protein. The entropic contributions of individual residues to whole-protein dynamics were evaluated based on covariance-based correlation analysis of all simulations. The changes of overall protein entropy when individual residues being held rigid support that the rigidity/flexibility equilibrium in protein structure is governed by the La Châtelier's principle of chemical equilibrium. Key residues of PDZ2 allostery were identified with good agreement with NMR studies of the same protein bound to the same peptide. On the other hand, the change of entropic contribution from each residue upon perturbation revealed intrinsic differences among all the residues. The quasi-harmonic and principal component analyses of simulations without rigid residue perturbation showed a coherent allosteric mode from unbound and bound states, respectively. The projection of simulations with rigid residue perturbation onto coherent allosteric modes demonstrated the intrinsic shifting of ensemble distributions supporting the population-shift theory of protein allostery. Overall, the study presented here provides a robust and systematic approach to estimate the contribution of individual residue internal motion to overall protein dynamics and allostery.

  1. Clinical Trials: A Crucial Key to Human Health Research

    Science.gov (United States)

    ... Past Issues Clinical Trials: A Crucial Key to Human Health Research Past Issues / Summer 2006 Table of Contents ... Javascript on. Photo: PhotoDisc At the forefront of human health research today are clinical trials—studies that use ...

  2. Codevelopment in personality : the interplay between big five traits, self esteem, and satisfaction in couples and families

    OpenAIRE

    Weidmann, Rebekka

    2016-01-01

    Big Five traits and self-esteem play a crucial role in explaining satisfaction in couples. Moreover, no clear answer exists whether similarity in Big Five traits and self-esteem predict couple satisfaction. Further, little evidence exists showing whether relationship satisfaction predicts Big Five traits and self-esteem. These personality constructs have rarely been studied conjointly and no research is available to give some indication of how family members impact each other in Big Five trai...

  3. Coupling a QFT to a TQFT and duality

    International Nuclear Information System (INIS)

    Kapustin, Anton; Seiberg, Nathan

    2014-01-01

    We consider coupling an ordinary quantum field theory with an infinite number of degrees of freedom to a topological field theory. On ℝ d the new theory differs from the original one by the spectrum of operators. Sometimes the local operators are the same but there are different line operators, surface operators, etc. The effects of the added topological degrees of freedom are more dramatic when we compactify ℝ d , and they are crucial in the context of electric-magnetic duality. We explore several examples including Dijkgraaf-Witten theories and their generalizations both in the continuum and on the lattice. When we couple them to ordinary quantum field theories the topological degrees of freedom allow us to express certain characteristic classes of gauge fields as integrals of local densities, thus simplifying the analysis of their physical consequences

  4. Investigating pointing tasks across angularly coupled display areas

    DEFF Research Database (Denmark)

    Hennecke, Fabian; De Luca, Alexander; Nguyen, Ngo Dieu Huong

    2013-01-01

    Pointing tasks are a crucial part of today’s graphical user interfaces. They are well understood for flat displays and most prominently are modeled through Fitts’ Law. For novel displays (e.g., curved displays with multi-purpose areas), however, it remains unclear whether such models for predicting...... that the target position affects overall pointing speed and offset in both conditions. However, we also found that Fitts’ Law can in fact still be used to predict performance as on flat displays. Our results help designers to optimize user interfaces on angularly coupled displays when pointing tasks are involved....... user performance still hold – in particular when pointing is performed across differently oriented areas. To answer this question, we conducted an experiment on an angularly coupled display – the Curve – with two input conditions: direct touch and indirect mouse pointer. Our findings show...

  5. Sam37 is crucial for formation of the mitochondrial TOM-SAM supercomplex, thereby promoting β-barrel biogenesis.

    Science.gov (United States)

    Wenz, Lena-Sophie; Ellenrieder, Lars; Qiu, Jian; Bohnert, Maria; Zufall, Nicole; van der Laan, Martin; Pfanner, Nikolaus; Wiedemann, Nils; Becker, Thomas

    2015-09-28

    Biogenesis of mitochondrial β-barrel proteins requires two preprotein translocases, the general translocase of the outer membrane (TOM) and the sorting and assembly machinery (SAM). TOM and SAM form a supercomplex that promotes transfer of β-barrel precursors. The SAM core complex contains the channel protein Sam50, which cooperates with Sam35 in precursor recognition, and the peripheral membrane protein Sam37. The molecular function of Sam37 has been unknown. We report that Sam37 is crucial for formation of the TOM-SAM supercomplex. Sam37 interacts with the receptor domain of Tom22 on the cytosolic side of the mitochondrial outer membrane and links TOM and SAM complexes. Sam37 thus promotes efficient transfer of β-barrel precursors to the SAM complex. We conclude that Sam37 functions as a coupling factor of the translocase supercomplex of the mitochondrial outer membrane. © 2015 Wenz et al.

  6. Impacto psicosocial del síndrome demencial en cuidadores cruciales Psychosocial impact of demential syndrome in crucial care givers

    Directory of Open Access Journals (Sweden)

    Juan Carlos LLibre Guerra

    2008-03-01

    Full Text Available Las demencias, entidades de elevada frecuencia en el adulto mayor, constituyen un creciente problema de salud en países con una alta expectativa de vida como el nuestro, no solo por su magnitud, sino por su repercusión a nivel individual, familiar y social. Se presenta un estudio descriptivo de corte transversal, realizado en el período comprendido entre enero de 2003 y enero de 2005, en las áreas de salud del municipio Marianao, con el objetivo de determinar el impacto psicosocial del síndrome demencial en cuidadores cruciales. Se visitaron 110 cuidadores de pacientes con demencia y enfermedad de Alzheimer diagnosticados de acuerdo con los criterios del DSM-IV. Los cuidadores cruciales de los pacientes con demencia correspondieron en su mayoría a mujeres casadas, esposa o hijas del paciente, en la quinta década de la vida, amas de casa, y con un nivel medio de escolaridad. El cuidador dedica alrededor de 12 h diarias al cuidado del paciente, la mayor parte en la supervisión. Se evidenció afectación psicológica en el 89 % de los cuidadores. El nivel de sobrecarga o estrés en la muestra es significativamente elevado. Los cuidadores consideran como primera prioridad información acerca de la enfermedad y atención al paciente. Se recomienda realizar un plan de intervención educativa dirigido a los cuidadores, que permita reducir la sobrecarga física, psicológica y económica del cuidado y mejorar su calidad de vida.The dementias, entities of an elevated frequency in the older adult, are an increasing health problem in countries with a high life expectancy at birth as ours, not only because of their magnitude, but also because of their repercussion at the individual, familiar and social levels. A descriptive cross-sectional study was undertaken from January 2003 to January 2005 in the health areas of Marianao municipality with the objective of determining the psychosocial impact of the demential syndrome in crucial care givers. 110

  7. Synthesis and evaluation of radioactive and fluorescent residualizing labels for identifying sites of plasma protein catabolism

    International Nuclear Information System (INIS)

    Maxwell, J.L.; Baynes, J.W.; Thorpe, S.R.

    1986-01-01

    Inulin and lactose were each coupled to tyramine by reductive amination with NaBH 3 CN and the tyramine then labeled with 125 I. Dilactitol- 125 I-tyramine (DLT) and inulin- 125 I-tyramine (InTn) were coupled by reductive amination and cyanuric chloride, respectively, to asialofetuin (ASF), fetuin and rat serum albumin (RSA). Attachment of either label had no effect on the circulating half-lives of the proteins. Radioactivity from labeled ASF was recovered in rat liver (> 90%) by 1 h post-injection and remained in liver with half-lives of 2 and 6 days, respectively, for the DLT and InTn labels. Whole body recoveries of radioactivity from DLT- and InTn labels. Whole body recoveries of radioactivity from DLT- and InTn-labeled RSA were 5 and 6.5 days, respectively, again indicating that the larger glycoconjugate label residualized more efficiently in cells following protein degradation. (Lactitol) 2 -N-CH 2 -CH 2 -NH-fluroescein (DLF) was also coupled to ASF by reductive amination and recovered quantitatively in liver at 1 h post-injection. Native ASF was an effective competitor for clearance of DLF-ASF from the circulation. Fluorescent degradation products were retained in liver with a half-life of 1.2 days. Residualizing fluorescent labels should be useful for identification and sorting of cells active in the degradation of plasma proteins

  8. Influence of repair length on residual stress in the repair weld of a clad plate

    International Nuclear Information System (INIS)

    Jiang Wenchun; Xu, X.P.; Gong, J.M.; Tu, S.T.

    2012-01-01

    Highlights: ► Residual stress in the repair weld of a stainless steel clad plate is investigated. ► The effect of repair length on residual stress has been studied. ► Large tensile residual stress is generated in the repair weld and heat affected zone. ► With the increase of repair length, transverse stress is decreased. ► Repair length has little effect on longitudinal stress. - Abstract: A 3-D sequential coupling finite element simulation is performed to investigate the temperature field and residual stress in the repair weld of a stainless steel clad plate. The effect of repair length on residual stress has been studied, aiming to provide a reference for repairing the cracked clad plate. The results show that large tensile residual stresses are generated in the repair weld and heat affected zone (HAZ), and then decrease gradually away from the weld and HAZ. The residual stresses through thickness in the clad layer are relative uniform, while they are non-uniform in the base metal. A discontinuous stress distribution is generated across the interface between weld metal and base metal. The repair length has a great effect on transverse stress. With the increase of repair length, the transverse stress is decreased. When the repair length is increased to 14 cm, the peak of transverse stress has been decreased below yield strength, and the transverse stress in the weld and HAZ has also been greatly decreased. But the repair length has little effect on longitudinal stress.

  9. Forest worker exposure to airborne herbicide residues in smoke from prescribed fires in the Southern United States

    Science.gov (United States)

    Charles K. McMahon; Parshall B. Bush

    1992-01-01

    Occupational safety and health concerns have been raised in a number of southern states by workers conducting prescribed burns on forested lands treated with herbicides. Modeling assessments coupled with laboratory experiments have shown that the risk of airborne herbicide residues to workers is insignificant, even if the fire occurs immediately after herbicide...

  10. Selective effects of charge on G protein activation by FSH-receptor residues 551-555 and 650-653.

    Science.gov (United States)

    Grasso, P; Deziel, M R; Reichert, L E

    1995-01-01

    Two cytosolic regions of the rat testicular FSH receptor (FSHR), residues 533-555 and 645-653, have been identified as G protein-coupling domains. We localized the activity in these domains to their C-terminal sequences, residues 551-555 (KIAKR, net charge +3) and 650-653 (RKSH, net charge +3), and examined the effects of charge on G protein activation by the C-terminal peptides, using synthetic analogs containing additions, through alanine (A) linkages, of arginine (R, +), histidine (H, +) or both. RA-KIAKR (net charge +4) mimicked the effect of FSHR-(551-555) on guanine nucleotide exchange in rat testis membranes, but reduced its ability to inhibit FSH-stimulated estradiol biosynthesis in cultured rat Sertoli cells. Further increasing net charge by the addition of H (HARA-KIAKR, net charge +5) increased guanosine 5'-triphosphate (GTP) binding, but eliminated FSHR-(551-555) effects on FSH-stimulated steroidogenesis. HA-RKSH (net charge +4) significantly inhibited guanine nucleotide exchange in rat testis membranes, but stimulated basal and potentiated FSH-induced estradiol biosynthesis in cultured rat Sertoli cells. Addition of two H residues (HAHA-RKSH, net charge +5) restored GTP binding and further potentiated basal and FSH-stimulated steroidogenesis. These results suggest that positive charges in G protein-coupling domains of the FSHR play a role in modulating G protein activation and postbinding effects of FSH, such as steroidogenesis.

  11. Assessing the potentials of agricultural residues for energy: What the CDM experience of India tells us about their availability

    International Nuclear Information System (INIS)

    Milhau, Antoine; Fallot, Abigail

    2013-01-01

    The potential of agricultural residues has been assessed worldwide and at different scales. Interpreting results so as to determine the possible role of this biomass feedstock in energy supplies, requires a clearer understanding of the conditions in which residues can effectively be mobilized for energy production. The experience of India with hundreds of projects where agricultural residues are transformed to heat and power partially sold to the grid, is analyzed and checked against the residue potentials that have been assessed in this country. We find that, in the absence of technological improvements in biomass conversion, the apparent success of Indian bioenergy projects is not sustainable in the long run due to rapid exhaustion effects on residue availability, coupled with the increasing costs that would be difficult to compensate by higher electricity tariffs. We also identify there is a serious agricultural issue which needs to be addressed in regard to degraded soils; this could lead to the reallocation of all primary residues, as well as part of secondary residues to soil and livestock needs. Such perspectives are considered within three contrasted scenario storylines. - Highlights: • India generates 572.10 6 t crop residues, 15–25% are potentially available. • Registered CDM projects for electricity generation use 17% of this energy source. • Some residues will be exhausted before the implementation of planned projects. • Residue scarcity translates to new markets with rising prices. • Increased tariffs will be necessary to compensate biomass cost increase

  12. Radiative resonance couplings in γ π →π π

    Science.gov (United States)

    Hoferichter, Martin; Kubis, Bastian; Zanke, Marvin

    2017-12-01

    Studies of the reaction γ π →π π , in the context of the ongoing Primakoff program of the COMPASS experiment at CERN, give access to the radiative couplings of the ρ (770 ) and ρ3(1690 ) resonances. We provide a vector-meson-dominance estimate of the respective radiative width of the ρ3, Γρ3→πγ=48 (18 ) keV , as well as its impact on the F -wave in γ π →π π . For the ρ (770 ), we establish the formalism necessary to extract its radiative coupling directly from the residue of the resonance pole by analytic continuation of the γ π →π π amplitude to the second Riemann sheet, without any reference to the vector-meson-dominance hypothesis.

  13. Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach.

    Directory of Open Access Journals (Sweden)

    Ulf Hensen

    Full Text Available We develop a general minimally coupled subspace approach (MCSA to compute absolute entropies of macromolecules, such as proteins, from computer generated canonical ensembles. Our approach overcomes limitations of current estimates such as the quasi-harmonic approximation which neglects non-linear and higher-order correlations as well as multi-minima characteristics of protein energy landscapes. Here, Full Correlation Analysis, adaptive kernel density estimation, and mutual information expansions are combined and high accuracy is demonstrated for a number of test systems ranging from alkanes to a 14 residue peptide. We further computed the configurational entropy for the full 67-residue cofactor of the TATA box binding protein illustrating that MCSA yields improved results also for large macromolecular systems.

  14. 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.)

  15. Assessing the Availability of Wood Residues and Residue Markets in Virginia

    OpenAIRE

    Alderman, Delton R. Jr.

    1998-01-01

    A statewide mail survey of primary and secondary wood product manufacturers was undertaken to quantify the production and consumption of wood residues in Virginia. Two hundred and sixty-six wood product manufacturers responded to the study and they provided information on the production, consumption, markets, income or disposal costs, and disposal methods of wood residues. Hardwood and pine sawmills produce approximately 66 percent of Virginia's wood residues. Virginia's wood product man...

  16. Large-scale evaluation of dynamically important residues in proteins predicted by the perturbation analysis of a coarse-grained elastic model

    Directory of Open Access Journals (Sweden)

    Tekpinar Mustafa

    2009-07-01

    Full Text Available Abstract Backgrounds It is increasingly recognized that protein functions often require intricate conformational dynamics, which involves a network of key amino acid residues that couple spatially separated functional sites. Tremendous efforts have been made to identify these key residues by experimental and computational means. Results We have performed a large-scale evaluation of the predictions of dynamically important residues by a variety of computational protocols including three based on the perturbation and correlation analysis of a coarse-grained elastic model. This study is performed for two lists of test cases with >500 pairs of protein structures. The dynamically important residues predicted by the perturbation and correlation analysis are found to be strongly or moderately conserved in >67% of test cases. They form a sparse network of residues which are clustered both in 3D space and along protein sequence. Their overall conservation is attributed to their dynamic role rather than ligand binding or high network connectivity. Conclusion By modeling how the protein structural fluctuations respond to residue-position-specific perturbations, our highly efficient perturbation and correlation analysis can be used to dissect the functional conformational changes in various proteins with a residue level of detail. The predictions of dynamically important residues serve as promising targets for mutational and functional studies.

  17. Rapid Detection Technology for Pesticides Residues Based on Microelectrodes Impedance Immunosensor

    Directory of Open Access Journals (Sweden)

    Wen Ping Zhao

    2014-09-01

    Full Text Available Compared with conventional methods, electrochemical immunosensors have many advantages, such as low cost, high sensitivity, and rapid detection, and has certain prospects for realizing real-time-monitoring. In this paper, a design of portable pesticide residues detection instrument was presented based on an electrochemical impedance immunosensor. Firstly, we studied on an impedance immunosensor based on interdigitated array microelectrode (IDAM coupled with magnetic nanobeads-antibody conjugates (MNAC for the pesticide detection. Magnetic nanobeads (diameter 150 nm coated with anti-carbofuran antibodies were used for further amplification of the binding reaction between antibody and hapten (carbofuran. Secondly, in order to develop a portable pesticide residue apparatus, we designed the impedance detection electric circuit. Main work included designing and constructing of the system circuit, designing and debugging of the system software and so on. Thirdly, the apparatus was used for the standard pesticides solutions testing combined with immunosensor to test the reliability and stability. The pesticide added standard recovery was more than 70 % and the impedance test error was less than 5 %. The results showed that the proposed instrument had a good consistence compared with the traditional analytical methods. Thus, it would be a promising rapid detection instrument for pesticide residues in agricultural products.

  18. Optimization of spring exchange coupled ferrites, studied by in situ neutron diffraction

    DEFF Research Database (Denmark)

    Ahlburg, Jakob; Christensen, Mogens; Granados-Miralles, Cecilia

    origins from the 4f orbitals which can contain up to 14 electrons. But since REM are both expensive and difficult to mine, a great demand has come for cheaper types of magnets with a similar magnetic performance. A candidate could be the transition metal oxides. Here the magnetic contribution origins from...... the magnetic energy product. For the exchange coupling to happen it is crucial to have the right ratio between the hard and the soft phase but also to control the size of the particles since exchange coupling is a very small range effect. In this study, nanoparticles of the spinel CoFe2O4 (hard magnet...

  19. Mutational properties of amino acid residues: implications for evolvability of phosphorylatable residues

    DEFF Research Database (Denmark)

    Creixell, Pau; Schoof, Erwin M.; Tan, Chris Soon Heng

    2012-01-01

    in terms of their mutational activity. Moreover, we highlight the importance of the genetic code and physico-chemical properties of the amino acid residues as likely causes of these inequalities and uncover serine as a mutational hot spot. Finally, we explore the consequences that these different......; it is typically assumed that all amino acid residues are equally likely to mutate or to result from a mutation. Here, by reconstructing ancestral sequences and computing mutational probabilities for all the amino acid residues, we refute this assumption and show extensive inequalities between different residues...... mutational properties have on phosphorylation site evolution, showing that a higher degree of evolvability exists for phosphorylated threonine and, to a lesser extent, serine in comparison with tyrosine residues. As exemplified by the suppression of serine's mutational activity in phosphorylation sites, our...

  20. Modelling Of Residual Stresses Induced By High Speed Milling Process

    International Nuclear Information System (INIS)

    Desmaison, Olivier; Mocellin, Katia; Jardin, Nicolas

    2011-01-01

    Maintenance processes used in heavy industries often include high speed milling operations. The reliability of the post-process material state has to be studied. Numerical simulation appears to be a very interesting way to supply an efficient residual stresses (RS) distribution prediction.Because the adiabatic shear band and the serrated chip shaping are features of the austenitic stainless steel high speed machining, a 2D high speed orthogonal cutting model is briefly presented. This finite element model, developed on Forge registered software, is based on data taken from Outeiro and al.'s paper [1]. A new behaviour law fully coupling Johnson-Cook's constitutive law and Latham and Cockcroft's damage model is detailed in this paper. It ensures results that fit those found in literature.Then, the numerical tools used on the 2D model are integrated to a 3D high speed milling model. Residual stresses distribution is analysed, on the surface and into the depth of the material. Various revolutions and passes of the two teeth hemispheric mill on the workpiece are simulated. Thus the sensitivity of the residual stresses generation to the cutting conditions can be discussed. In order to validate the 3D model, a comparison of the cutting forces measured by EDF R and D to those given by numerical simulations is achieved.

  1. Hydroponic Crop Production using Recycled Nutrients from Inedible Crop Residues

    Science.gov (United States)

    Garland, Jay L.; Mackowiak, Cheryl L.; Sager, John C.

    1993-01-01

    The coupling of plant growth and waste recycling systems is an important step toward the development of bioregenerative life support systems. This research examined the effectiveness of two alternative methods for recycling nutrients from the inedible fraction (residue) of candidate crops in a bioregenerative system as follows: (1) extraction in water, or leaching, and (2) combustion at 550 C, with subsequent reconstitution of the ash in acid. The effectiveness of the different methods was evaluated by (1) comparing the percent recovery of nutrients, and (2) measuring short- and long-term plant growth in hydroponic solutions, based on recycled nutrients.

  2. In situ chemical composition measurement of individual cloud residue particles at a mountain site, southern China

    Directory of Open Access Journals (Sweden)

    Q. Lin

    2017-07-01

    Full Text Available To investigate how atmospheric aerosol particles interact with chemical composition of cloud droplets, a ground-based counterflow virtual impactor (GCVI coupled with a real-time single-particle aerosol mass spectrometer (SPAMS was used to assess the chemical composition and mixing state of individual cloud residue particles in the Nanling Mountains (1690 m a. s. l. , southern China, in January 2016. The cloud residues were classified into nine particle types: aged elemental carbon (EC, potassium-rich (K-rich, amine, dust, Pb, Fe, organic carbon (OC, sodium-rich (Na-rich and Other. The largest fraction of the total cloud residues was the aged EC type (49.3 %, followed by the K-rich type (33.9 %. Abundant aged EC cloud residues that mixed internally with inorganic salts were found in air masses from northerly polluted areas. The number fraction (NF of the K-rich cloud residues increased within southwesterly air masses from fire activities in Southeast Asia. When air masses changed from northerly polluted areas to southwesterly ocean and livestock areas, the amine particles increased from 0.2 to 15.1 % of the total cloud residues. The dust, Fe, Pb, Na-rich and OC particle types had a low contribution (0.5–4.1 % to the total cloud residues. Higher fraction of nitrate (88–89 % was found in the dust and Na-rich cloud residues relative to sulfate (41–42 % and ammonium (15–23 %. Higher intensity of nitrate was found in the cloud residues relative to the ambient particles. Compared with nonactivated particles, nitrate intensity decreased in all cloud residues except for dust type. To our knowledge, this study is the first report on in situ observation of the chemical composition and mixing state of individual cloud residue particles in China.

  3. Proficiency in Positive versus Negative Emotion Identification and Subjective Well-being among Long-term Married Elderly Couples

    OpenAIRE

    Raluca ePetrican; Morris eMoscovitch; Cheryl eGrady

    2014-01-01

    Evidence is accruing that positive emotions play a crucial role in shaping a healthy interpersonal climate. Inspired by this research, the current investigation sought to shed light on the link between proficiency in identifying positive versus negative emotions and a close partner’s well-being. To this end, we conducted two studies with neurologically intact elderly married couples (Study 1) and an age-matched clinical sample, comprising married couples in which one spouse had been diagnosed...

  4. Qualitative research on infertile Chinese couples' understanding of sexuality.

    Science.gov (United States)

    Zhuoran, Wang; Wanpeng, Liu; Tao, Peng; Coates, Rosemary

    2018-01-16

    Family physicians play an important role in the initial counselling and evaluation of infertility. Despite infertility regarded as a stressor and a life crisis for individuals or couples, little is known about the psychosexual aspects of infertility. On the basis that sexuality is a crucial part of quality of life, it is worthwhile to give more attention to sexuality of infertile couples during their time of experiencing infertility. This study aimed to gain insight into the dynamic features of the sexuality of infertile couples and to provide meaningful evidence for improving their quality of life. We employed a qualitative approach to conduct this study. Utilizing purposive sampling method, 56 participants (28 infertile Chinese couples) were recruited from the reproductive medicine centre of a general hospital, and in-depth interviews were conducted with each participant. Thematic content analysis was used to analyse the transcripts. Four themes emerged from the respondents' narratives; these themes relate to the infertile couples' understanding of sexuality: (i) gender identity, (ii) communication about sex, (iii) sexual life and (iv) sexual satisfaction. It was further found that Chinese culture's values of fertility, perceptions about sexuality and sex, social norms regarding gender, and expectations about marital sexual life can have significant effects on infertile Chinese couples' sexuality. These findings should be highly considered by family physicians in their practice to provide infertile couples with information related to sexual well-being, coping styles, relationship, etc. © The Author 2017. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  5. Conformational entropic maps of functional coupling domains in GPCR activation: A case study with beta2 adrenergic receptor

    Science.gov (United States)

    Liu, Fan; Abrol, Ravinder; Goddard, William, III; Dougherty, Dennis

    2014-03-01

    Entropic effect in GPCR activation is poorly understood. Based on the recent solved structures, researchers in the GPCR structural biology field have proposed several ``local activating switches'' that consisted of a few number of conserved residues, but have long ignored the collective dynamical effect (conformational entropy) of a domain comprised of an ensemble of residues. A new paradigm has been proposed recently that a GPCR can be viewed as a composition of several functional coupling domains, each of which undergoes order-to-disorder or disorder-to-order transitions upon activation. Here we identified and studied these functional coupling domains by comparing the local entropy changes of each residue between the inactive and active states of the β2 adrenergic receptor from computational simulation. We found that agonist and G-protein binding increases the heterogeneity of the entropy distribution in the receptor. This new activation paradigm and computational entropy analysis scheme provides novel ways to design functionally modified mutant and identify new allosteric sites for GPCRs. The authors thank NIH and Sanofi for funding this project.

  6. Proceedings of the 7. biennial residue-to-revenue residual wood conference 2007

    International Nuclear Information System (INIS)

    Raulin, J.

    2007-01-01

    This conference provided information on the highest and best use of residual wood, which is quickly becoming a valuable commodity. Issues concerning forest residues, sawmill wastes, agricultural residues and urban organic materials were discussed along with trends in Canadian surplus mill waste production. The evolving nature and technologies of the biomass business were highlighted with particular focus on how to generate energy and save money through the use of residual wood. Residual wood energy projects and developments in Canada, North America and Europe were outlined along with biomass development in relation to forest fires and insect disturbances. Cogeneration technologies using wood wastes for thermal heat, steam and electricity were also presented, along with transportation fuel technologies for the production of ethanol. It was noted that with the rising cost of energy, the forest industry is seeking energy solutions based on the use of residual wood. The range of economically practical residual wood solutions continues to grow as energy prices increase. The conference was attended by more than 200 delegates from the forest industry, suppliers and government representatives, to discuss policies and procedures currently in place. Industry investment is being stimulated by the potential for biofuels and biochemicals, as well as the co-operation between the forest and energy sectors. The conference featured 23 presentations, of which 12 have been catalogued separately for inclusion in this database. refs., tabs., figs

  7. Separation of thorium (IV) from lanthanide concentrate (LC) and water leach purification (WLP) residue

    International Nuclear Information System (INIS)

    AL-Areqi, Wadeeah M.; Majid, Amran Ab.; Sarmani, Sukiman

    2014-01-01

    Thorium (IV) content in industrial residue produced from rare earth elements production industry is one of the challenges to Malaysian environment. Separation of thorium from the lanthanide concentrate (LC) and Water Leach Purification (WLP) residue from rare earth elements production plant is described. Both materials have been tested by sulphuric acid and alkaline digestions. Th concentrations in LC and WLP were determined to be 1289.7 ± 129 and 1952.9±17.6 ppm respectively. The results of separation show that the recovery of Th separation from rare earth in LC after concentrated sulphuric acid dissolution and reduction of acidity to precipitate Th was found 1.76-1.20% whereas Th recovery from WLP was less than 4% after concentrated acids and alkali digestion processes. Inductively Coupled Plasma-Mass Spectroscopy (ICP-MS) was used to determine Th concentrations in aqueous phase during separation stages. This study indicated that thorium maybe exists in refractory and insoluble form which is difficult to separate by these processes and stays in WLP residue as naturally occurring radioactive material (NORM)

  8. Mechanisms of Disease: the first kiss-a crucial role for kisspeptin-1 and its receptor, G-protein-coupled receptor 54, in puberty and reproduction.

    Science.gov (United States)

    Seminara, Stephanie B

    2006-06-01

    Although the hypothalamic secretion of gonadotropin-releasing hormone (GnRH) is the defining hormonal event of puberty, the physiologic mechanisms that drive secretion of GnRH at the time of sexual maturation have been difficult to identify. After puberty is initiated, the factors that modulate the frequency and amplitude of GnRH secretion in rapidly changing sex-steroid environments (i.e. the female menstrual cycle) also remain unknown. The discovery that, in both humans and mouse models, loss-of-function mutations in the gene that encodes G-protein-coupled receptor 54 result in phenotypes of hypogonadotropic hypogonadism with an absence of pubertal development has unearthed a novel pathway regulating GnRH secretion. Ligands for G-protein-coupled receptor 54 (KiSS-1R), including metastin (derived from the parent compound, kisspeptin-1) and metastin's C-terminal peptide fragments, have been shown to be powerful stimulants for GnRH release in vivo via their stimulation of G-protein-coupled receptor 54. This article reviews the discovery of the GPR54 gene, places it into the appropriate biological context, and explores the data from in vitro and in vivo studies that point to this ligand-receptor system as a major driver of GnRH secretion.

  9. Quantum dynamics of a vibronically coupled linear chain using a surrogate Hamiltonian approach

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Myeong H., E-mail: myeong.lee@warwick.ac.uk; Troisi, Alessandro [Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL (United Kingdom)

    2016-06-07

    Vibronic coupling between the electronic and vibrational degrees of freedom has been reported to play an important role in charge and exciton transport in organic photovoltaic materials, molecular aggregates, and light-harvesting complexes. Explicitly accounting for effective vibrational modes rather than treating them as a thermal environment has been shown to be crucial to describe the effect of vibronic coupling. We present a methodology to study dissipative quantum dynamics of vibronically coupled systems based on a surrogate Hamiltonian approach, which is in principle not limited by Markov approximation or weak system-bath interaction, using a vibronic basis. We apply vibronic surrogate Hamiltonian method to a linear chain system and discuss how different types of relaxation process, intramolecular vibrational relaxation and intermolecular vibronic relaxation, influence population dynamics of dissipative vibronic systems.

  10. Multiresidue analytical procedures for pesticides residues in vegetable products; Metodi mutiresiduo per l`analisi di residui di antiparassitari in prodotti vegetali

    Energy Technology Data Exchange (ETDEWEB)

    Gruppo di lavoro per i residui di antiparassitari della Commissione permanente di coordinamento interregionale per i problemi relativi al controllo ufficiale dei prodotti alimentari

    1997-09-01

    Multiresidue methods for pesticide residues in vegetable products, most frequently used by laboratories of the Italian national health service, by the regional and provincial agencies for environmental protection and by the National health institute. The analytical behaviour is presented for 249 pesticides through the different steps of extraction and cleanup, along with data for the gas chromatography (GC), gas chromatography coupled to mass spectrometry (GC/MS) and high performance liquid chromatography coupled to spectrophotometric detector (HPL/UV).

  11. Solid residues

    International Nuclear Information System (INIS)

    Mulder, E.; Duin, P.J. van; Grootenboer, G.J.

    1995-01-01

    A summary is presented of the many investigations that have been done on solid residues of atmospheric fluid bed combustion (AFBC). These residues are bed ash, cyclone ash and bag filter ash. Physical and chemical properties are discussed and then the various uses of residues (in fillers, bricks, gravel, and for recovery of aluminium) are summarised. Toxicological properties of fly ash and stack ash are discussed as are risks of pneumoconiosis for workers handling fly ash, and contamination of water by ashes. On the basis of present information it is concluded that risks to public health from exposure to emissions of coal fly ash from AFBC appear small or negligible as are health risk to workers in the coal fly ash processing industry. 35 refs., 5 figs., 12 tabs

  12. A Coupled Field Multiphysics Modeling Approach to Investigate RF MEMS Switch Failure Modes under Various Operational Conditions

    Directory of Open Access Journals (Sweden)

    Khaled Sadek

    2009-10-01

    Full Text Available In this paper, the reliability of capacitive shunt RF MEMS switches have been investigated using three dimensional (3D coupled multiphysics finite element (FE analysis. The coupled field analysis involved three consecutive multiphysics interactions. The first interaction is characterized as a two-way sequential electromagnetic (EM-thermal field coupling. The second interaction represented a one-way sequential thermal-structural field coupling. The third interaction portrayed a two-way sequential structural-electrostatic field coupling. An automated substructuring algorithm was utilized to reduce the computational cost of the complicated coupled multiphysics FE analysis. The results of the substructured FE model with coupled field analysis is shown to be in good agreement with the outcome of previously published experimental and numerical studies. The current numerical results indicate that the pull-in voltage and the buckling temperature of the RF switch are functions of the microfabrication residual stress state, the switch operational frequency and the surrounding packaging temperature. Furthermore, the current results point out that by introducing proper mechanical approaches such as corrugated switches and through-holes in the switch membrane, it is possible to achieve reliable pull-in voltages, at various operating temperatures. The performed analysis also shows that by controlling the mean and gradient residual stresses, generated during microfabrication, in conjunction with the proposed mechanical approaches, the power handling capability of RF MEMS switches can be increased, at a wide range of operational frequencies. These design features of RF MEMS switches are of particular importance in applications where a high RF power (frequencies above 10 GHz and large temperature variations are expected, such as in satellites and airplane condition monitoring.

  13. Residual stress measurements by X-ray and neutron diffractions in heat-treated SiCw/A2014 composites

    International Nuclear Information System (INIS)

    Ohnuki, Takahisa; Fujita, Motoo; Tomota, Yo; Ono, Masayoshi

    1998-01-01

    Residual stresses due to various heat treatments in a 22 volume percent SiC whisker/A2014 metal matrix composite (MMC) were measured by using X-ray and neutron diffractions. Micro residual stresses generated from the differences in thermal expansion coefficients of the constituents and macro residual stresses associated with different cooling rates in the outer and inner regions of an MMC specimen must be distinguished in X-ray stress measurements. The conventional sin 2 ψ method under an assumption of plane stress condition has been found not to be applicable to the present MMC, because interactions among whiskers in the X-ray penetrating area yields σ 33 where the x 3 -axis is normal with respect to specimen's surface. An average value of σ 33 can be measured by X-ray diffraction technique, but does not seem enough to evaluate micro residual stresses. It is found that neutron diffraction is the most powerful method to measure micro residual stresses in the constituents. Elastic residual strains obtained by neutron diffraction in solution treated or T6 heat treated samples show good agreements with predictions calculated by using Eshelby inclusion theory coupled with the Mori-Tanaka mean field concept, indicating that the influence of stress relaxation is negligible. In addition, internal stresses relaxations during holding at room temperature, slow cooling from solution treatment temperature, or subzero cooling are discussed. (author)

  14. Do the Uncertainty Relations Really have Crucial Significances for Physics?

    Directory of Open Access Journals (Sweden)

    Dumitru S.

    2010-10-01

    Full Text Available It is proved the falsity of idea that the Uncertainty Relations (UR have crucial significances for physics. Additionally one argues for the necesity of an UR-disconnected quantum philosophy.

  15. Gauge and matter fields coupled to N=2 supergravity

    International Nuclear Information System (INIS)

    Wit, B. de; Lauwers, P.G.; Philippe, R.; Su, S.-Q.; Proeyen, A. van.

    1983-07-01

    The authors consider the potential of a general matter system of N=2 vector and scalar multiplets coupled to supergravity. For lagrangians that are initially quadratic in the matter fields the potential is proved to be either positive or unbounded from below. The results have been obtained in the framework of a superconformal multiplet calculus, and it has been verified that they can be derived from each of the three off-shell representations. As an example the authors consider SO(6) Yang-Mills theory coupled to scalar multiplets in the 10+10 representation, which, for suitably chosen parameters, leads to the potential of gauged N=8 supergravity. Finally, a discussion of the possibility to set residual nonabelian symmetry groups after breaking of N=8 supersymmetry to N=1 or 2 is presented. (Auth.)

  16. Solution structure of tRNA{sup Val} from refinement of homology model against residual dipolar coupling and SAXS data

    Energy Technology Data Exchange (ETDEWEB)

    Grishaev, Alexander, E-mail: AlexanderG@intra.niddk.nih.gov; Ying, Jinfa [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Canny, Marella D.; Pardi, Arthur [University of Colorado, Boulder, Department of Chemistry and Biochemistry, 215 UCB (United States)], E-mail: Arthur.Pardi@Colorado.edu; Bax, Ad [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)], E-mail: bax@nih.gov

    2008-10-15

    A procedure is presented for refinement of a homology model of E. coli tRNA{sup Val}, originally based on the X-ray structure of yeast tRNA{sup Phe}, using experimental residual dipolar coupling (RDC) and small angle X-ray scattering (SAXS) data. A spherical sampling algorithm is described for refinement against SAXS data that does not require a globbic approximation, which is particularly important for nucleic acids where such approximations are less appropriate. Substantially higher speed of the algorithm also makes its application favorable for proteins. In addition to the SAXS data, the structure refinement employed a sparse set of NMR data consisting of 24 imino N-H{sup N} RDCs measured with Pf1 phage alignment, and 20 imino N-H{sup N} RDCs obtained from magnetic field dependent alignment of tRNA{sup Val}. The refinement strategy aims to largely retain the local geometry of the 58% identical tRNA{sup Phe} by ensuring that the atomic coordinates for short, overlapping segments of the ribose-phosphate backbone and the conserved base pairs remain close to those of the starting model. Local coordinate restraints are enforced using the non-crystallographic symmetry (NCS) term in the XPLOR-NIH or CNS software package, while still permitting modest movements of adjacent segments. The RDCs mainly drive the relative orientation of the helical arms, whereas the SAXS restraints ensure an overall molecular shape compatible with experimental scattering data. The resulting structure exhibits good cross-validation statistics (jack-knifed Q{sub free} = 14% for the Pf1 RDCs, compared to 25% for the starting model) and exhibits a larger angle between the two helical arms than observed in the X-ray structure of tRNA{sup Phe}, in agreement with previous NMR-based tRNA{sup Val} models.

  17. [Determination of seven strobilurin fungicide residues in Chinese herbs by liquid chromatography-tandem mass spectrometry coupled with solid phase extraction].

    Science.gov (United States)

    Zhang, Yule; Huang, Chaoqun; Zhu, Xiaoyu; Chen, Xiaomei; Mo, Weimin

    2013-03-01

    An LC-MS/MS method was developed for the simultaneously determination of seven strobilurin fungicide residues in Chinese herbs. The strobilurin fungicides include Z-metominostrobin, kresoxim-methyl, dimoxystrobin, picoxystrobin, pyraclostrobin, azoxystrobin and trifloxystrobin. The sample was extracted with ethyl acetate and cleaned-up by an amino SPE column. The seven strobilurin fungicide residues were separated on a C18 column with gradient elution of 1.0 per thousand formic acid and methanol as mobile phases, and detected by ESI-MS in positive ion and selective reaction monitoring (SRM) mode. External standard method was used to the quantification with good linear relationships (r > or = 0. 996). The LOQs were 2 micro g/kg for dimoxystrobin, picoxystrobin and trifloxystrobin, 4 mciro g/kg for pyraclostrobin and azoxystrobin, 10 micro g/kg for Z-metominostrobin and kresoxim-methyl. The recoveries were from 60.4% to 110% with the RSDs between 1.2% and 17%. The developed method is suitable for the determination and confirmation of the seven strobilurin fungicide residues in the three of Eight Zhes ( Ophiopogon japonicus (Thunb.), Scrophularia ningpoensis Hemsl. and Corydalis yanhusuo W T Wang).

  18. LIDT-DD: A New Self-Consistent Debris Disc Model Including Radiation Pressure and Coupling Dynamical and Collisional Evolution

    Science.gov (United States)

    Kral, Q.; Thebault, P.; Charnoz, S.

    2014-01-01

    The first attempt at developing a fully self-consistent code coupling dynamics and collisions to study debris discs (Kral et al. 2013) is presented. So far, these two crucial mechanisms were studied separately, with N-body and statistical collisional codes respectively, because of stringent computational constraints. We present a new model named LIDT-DD which is able to follow over long timescales the coupled evolution of dynamics (including radiation forces) and collisions in a self-consistent way.

  19. The Multiple Faces of Prostaglandin E2 G-Protein Coupled Receptor Signaling during the Dendritic Cell Life Cycle

    NARCIS (Netherlands)

    de Keijzer, Sandra; Meddens, Marjolein B.M.; Torensma, Ruurd; Cambi, A.

    2013-01-01

    Many processes regulating immune responses are initiated by G-protein coupled receptors (GPCRs) and report biochemical changes in the microenvironment. Dendritic cells (DCs) are the most potent antigen-presenting cells and crucial for the regulation of innate and adaptive immune responses. The lipid

  20. Survey of pyrethroid, macrocyclic lactone and antibacterial residues in bulk milk tank from Minas Gerais State, Brazil

    Directory of Open Access Journals (Sweden)

    Lidia C.A. Picinin

    Full Text Available ABSTRACT: A survey of veterinary drug residues in bulk milk tank from Minas Gerais State, Brazil, was carried out through a broad scope analysis. Here, 132 raw milk samples were collected at 45 dairy farms in Minas Gerais from August 2009 to February 2010, and analyzed for 42 analytes, comprising pyrethroids, macrocyclic lactones and antibacterials, using liquid chromatography coupled with mass spectrometry in tandem mode and gas chromatography with electron capture detection. Within all milk samples, at least one veterinary drug residue was identified in 40 milk samples (30.30% by confirmatory tests, whereas 16 samples (12.12% showed the presence of at least two residues. With regard to the Brazilian maximum residue levels, 11 milk samples (8.33% were non-compliant according to Brazilian Legislation. The veterinary drugs detected in the non-compliant milk samples include penicillin V (one sample, abamectin (one sample and cypermethrin (nine samples. Furthermore, the antibacterial screening methods failed to identify most of the positive samples that were detected by confirmatory tests, leading to a large discrepancy between the screening and confirmatory antimicrobial tests. Thus, the present study indicated that the veterinary drugs residues still represents a great concern for the milk production chain.

  1. Handling of Solid Residues

    International Nuclear Information System (INIS)

    Medina Bermudez, Clara Ines

    1999-01-01

    The topic of solid residues is specifically of great interest and concern for the authorities, institutions and community that identify in them a true threat against the human health and the atmosphere in the related with the aesthetic deterioration of the urban centers and of the natural landscape; in the proliferation of vectorial transmitters of illnesses and the effect on the biodiversity. Inside the wide spectrum of topics that they keep relationship with the environmental protection, the inadequate handling of solid residues and residues dangerous squatter an important line in the definition of political and practical environmentally sustainable. The industrial development and the population's growth have originated a continuous increase in the production of solid residues; of equal it forms, their composition day after day is more heterogeneous. The base for the good handling includes the appropriate intervention of the different stages of an integral administration of residues, which include the separation in the source, the gathering, the handling, the use, treatment, final disposition and the institutional organization of the administration. The topic of the dangerous residues generates more expectation. These residues understand from those of pathogen type that are generated in the establishments of health that of hospital attention, until those of combustible, inflammable type, explosive, radio-active, volatile, corrosive, reagent or toxic, associated to numerous industrial processes, common in our countries in development

  2. Centrally extended residual symmetries in the presence of a constant EM background

    International Nuclear Information System (INIS)

    Toppan, F.

    2001-12-01

    In this talk I discuss the properties of the symmetry algebra (denominated 'residual symmetry') of a QFT in the presence of a non-vanishing, constant, electro-magnetic background. It is shown that this problem can be formulated and solved on a purely Lie-algebra ground (it is model-independent). One of its simplest consequences consists in recovering the central extension in the commutator of the translations, associated with the abelian U(1) charge. For illustrative purposes the case of the (2+1)-dimensional Poincare invariant QFTs coupled with a constant external EM background is discussed in detail. The deformed (and gauge-fixing dependent) surviving Poincare generators are explicitly computed. In the generic case the residual symmetry algebra is isomorphic to u(1)+P c (2), where P c (2) is the centrally extended 2-dimensional Poincare algebra. The connection with the Noncommutative Field Theories is briefly mentioned. A short discussion concerning the possible physical implications and the outline of the forthcoming research is given. (author)

  3. Development of multi-residue method for the determination of pesticides in cereal matrices by isotopic dilution associated to liquid chromatography coupled to tandem mass spectrometry after pressurized liquid extraction

    International Nuclear Information System (INIS)

    El Mrabet, Khadija

    2008-01-01

    Pesticides are nowadays considered as toxic for human health. The maximal residues levels authorized in water and foodstuff are more and more strict. Therefore, selective analytical techniques are necessary for their identification and their quantification. The aim of this thesis was to develop a multi-residue method for the determination of pesticides by isotopic dilution associated to liquid chromatography (LC) coupled with tandem mass spectrometry (MS"2) after pressurized liquid extraction. In a first step, an analysis method of phenyl-ureas and triazines in groundwater by isotopic dilution associated to LC/MS"2 after solid phase extraction has been developed. The method has been validated and evaluated by participating to an inter-laboratory study. Concerning cereals, an extraction method of pesticides associated to an analysis by LC/MS"2 has been developed for thirty-eight pesticides representative of twenty-six chemicals families and fourteen labeled compounds in wheat. The analysis has been carried out in reversed phase chromatography. Separation and detection conditions have been optimized. A global analytical protocol consisting of a pressurized liquid extraction step using acetonitrile at 100 deg. C and at 100 bars and followed by purification step of the resulting extract on a polymeric sorbent was developed. The developed method enables to extract thirty-eight pesticides and fourteen labeled compounds from wheat with recovery yield about 85% (RSD =4%, n=3). Moreover, the results show that the application of isotopic dilution can be complex. Although some improvements need to be added regarding experimentation of aged matrices or contaminated samples, the potential of the method has been demonstrated. (author) [fr

  4. Evaluation of supercritical fluid chromatography coupled to tandem mass spectrometry for pesticide residues in food.

    Science.gov (United States)

    Cutillas, Víctor; Galera, María Martínez; Rajski, Łukasz; Fernández-Alba, Amadeo R

    2018-04-13

    Supercritical fluid chromatography coupled to triple quadrupole mass spectrometry has been evaluated for pesticide residues in food. In order to check its advantages and limitations it was developed a method to identify and quantify 164 pesticides in three different matrices (tomato, orange and leek). A carbon dioxide gradient with methanol (containing 1 mM ammonium formate) was used allowing a flow rate of 1.5 mL/min that made the total run time of 12 min without any problem of overpressure. Addition of a post column flow 150 μL/min of Methanol with ammonium formate/formic acid was necessary to improve the ionization. The matrix effect study revealed that the percentages of pesticides with irrelevant matrix effect (suppression lower than 20%) was 99% in tomato, 87% in orange and 62% in leek, whereas significant suppression (higher than 50%) was not found in tomato and only 1% of the compounds in orange and 3% in leek.These results compare favorably with that typically obtained in LC-MS/MS. The absence of water in the mobile phase, also provided some important advantages regarding LC-MS/MS as (i) higher retention of polar compounds in the column, which elute with high sensitivity and good peak shape and (ii) a general increase of the sensitivity of the analysis, consequence of the high ionization and ion extraction efficiency. Pesticides evaluated were identified following the SANTE/11813/2017. At the spiking concentration of 5 μg/kg, 98% of the pesticides were identified in tomato, 98% in orange and 94% in leek, whereas for the concentration of 10 μg/kg all the compounds were identified in tomato and only spiromesifen was not identified in orange and leek. At the concentration of 20 μg/kg, spiromesifen was also identified in these two matrices. The linearity and reproducibility of the method were evaluated with results which guarantee high quality in the analytical measurements. Even though only 2 μL of final extract were injected, the

  5. Simultaneous determination of thiamethoxam, clothianidin, and metazachlor residues in soil by ultrahigh performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Valverde, Silvia; Ares, Ana M; Bernal, José Luis; Nozal, María Jesús; Bernal, José

    2017-03-01

    A rapid pioneering method has been developed to simultaneously determine residues of three pesticides (thiamethoxam, clothianidin, and metazachlor) in soil by ultrahigh performance liquid chromatography coupled to a mass spectrometry detector (quadrupole time-of-flight). An efficient extraction procedure (90-105% average analyte recoveries) has also been proposed, involving solid-liquid extraction by a mixture of water and methanol (60:40, v/v), centrifugation, and concentration. A chromatographic analysis of the compounds was achieved in 5.5 min by means of a core-shell technology based column (Kinetex ® EVO C 18 , 50 × 2.1 mm, 1.7 μm, 100 Å). The mobile phase (0.3 mL/min, gradient elution mode) consisted of 0.1% v/v formic acid in water and 0.1% v/v formic acid in acetonitrile. The method was fully validated in terms of selectivity, detection and quantification limits, matrix effect, linearity, trueness, and precision. Low limits of detection and quantification were obtained, ranging from 0.2 to 3.0 μg/kg, which are similar to those published in previous studies, while the absence of a significant matrix effect allowed quantification of the pesticides with standard calibration curves. The proposed method was applied for an analysis of pesticides in several soil samples from experimental fields dedicated to oilseed rape cultivars. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Residue conservation and dimer-interface analysis of olfactory receptor molecular models

    Directory of Open Access Journals (Sweden)

    Ramanathan Sowdhamini

    2012-10-01

    Full Text Available Olfactory Receptors (ORs are members of the Class A rhodopsin like G-protein coupled receptors (GPCRs which are the initial players in the signal transduction cascade, leading to the generation of nerve impulses transmitted to the brain and resulting in the detection of odorant molecules. Despite the accumulation of thousands of olfactory receptor sequences, no crystal structures of ORs are known tο date. However, the recent availability of crystallographic models of a few GPCRs allows us to generate homology models of ORs and analyze their amino acid patterns, as there is a huge diversity in OR sequences. In this study, we have generated three-dimensional models of 100 representative ORs from Homo sapiens, Mus musculus, Drosophila melanogaster, Caenorhabditis elegans and Sacharomyces cerevisiae which were selected on the basis of a composite classification scheme and phylogenetic analysis. The crystal structure of bovine rhodopsin was used as a template and it was found that the full-length models have more than 90% of their residues in allowed regions of the Ramachandran plot. The structures were further used for analysis of conserved residues in the transmembrane and extracellular loop regions in order to identify functionally important residues. Several ORs are known to be functional as dimers and hence dimer interfaces were predicted for OR models to analyse their oligomeric functional state.

  7. Rapid surface enhanced Raman scattering detection method for chloramphenicol residues

    Science.gov (United States)

    Ji, Wei; Yao, Weirong

    2015-06-01

    Chloramphenicol (CAP) is a widely used amide alcohol antibiotics, which has been banned from using in food producing animals in many countries. In this study, surface enhanced Raman scattering (SERS) coupled with gold colloidal nanoparticles was used for the rapid analysis of CAP. Density functional theory (DFT) calculations were conducted with Gaussian 03 at the B3LYP level using the 3-21G(d) and 6-31G(d) basis sets to analyze the assignment of vibrations. Affirmatively, the theoretical Raman spectrum of CAP was in complete agreement with the experimental spectrum. They both exhibited three strong peaks characteristic of CAP at 1104 cm-1, 1344 cm-1, 1596 cm-1, which were used for rapid qualitative analysis of CAP residues in food samples. The use of SERS as a method for the measurements of CAP was explored by comparing use of different solvents, gold colloidal nanoparticles concentration and absorption time. The method of the detection limit was determined as 0.1 μg/mL using optimum conditions. The Raman peak at 1344 cm-1 was used as the index for quantitative analysis of CAP in food samples, with a linear correlation of R2 = 0.9802. Quantitative analysis of CAP residues in foods revealed that the SERS technique with gold colloidal nanoparticles was sensitive and of a good stability and linear correlation, and suited for rapid analysis of CAP residue in a variety of food samples.

  8. Inconsistent Distances in Substitution Matrices can be Avoided by Properly Handling Hydrophobic Residues

    Directory of Open Access Journals (Sweden)

    J. Baussand

    2008-01-01

    Full Text Available The adequacy of substitution matrices to model evolutionary relationships between amino acid sequences can be numerically evaluated by checking the mathematical property of triangle inequality for all triplets of residues. By converting substitution scores into distances, one can verify that a direct path between two amino acids is shorter than a path passing through a third amino acid in the amino acid space modeled by the matrix. If the triangle inequality is not verified, the intuition is that the evolutionary signal is not well modeled by the matrix, that the space is locally inconsistent and that the matrix construction was probably based on insufficient biological data. Previous analysis on several substitution matrices revealed that the number of triplets violating the triangle inequality increases with sequence divergence. Here, we compare matrices which are dedicated to the alignment of highly divergent proteins. The triangle inequality is tested on several classical substitution matrices as well as in a pair of “complementary” substitution matrices recording the evolutionary pressures inside and outside hydrophobic blocks in protein sequences. The analysis proves the crucial role of hydrophobic residues in substitution matrices dedicated to the alignment of distantly related proteins.

  9. Identification of functionally important amino acid residues in the mitochondria targeting sequence of Hepatitis B virus X protein

    International Nuclear Information System (INIS)

    Li, Sai Kam; Ho, Sai Fan; Tsui, Kwok Wing; Fung, Kwok Pui; Waye, M.Y. Mary

    2008-01-01

    Chronic hepatitis B virus (HBV) infection has been strongly associated with hepatocellular carcinoma (HCC) and the X protein (HBx) is thought to mediate the cellular changes associated with carcinogenesis. Recently, isolation of the hepatitis B virus integrants from HCC tissue by others have established the fact that the X gene is often truncated at its C-terminus. Expression of the GFP fusion proteins of HBx and its truncation mutants with a GFP tag in human liver cell-lines in this study revealed that the C-terminus of HBx is indispensable for its specific localization in the mitochondria. A crucial region of seven amino acids at the C-terminus has been mapped out in which the cysteine residue at position 115 serves as the most important residue for the subcellular localization. When cysteine 115 of HBx is mutated to alanine the mitochondria targeting property of HBx is abrogated

  10. Investigation of Performance and Residual Stress Generation of AlSi10Mg Processed by Selective Laser Melting

    Directory of Open Access Journals (Sweden)

    Lianfeng Wang

    2018-01-01

    Full Text Available During the selective laser melting (SLM process, the scanned layers are subjected to rapid thermal cycles. By working on the mechanical properties, residual stress, and microstructure, the high-temperature gradients can have significant effect on the proper functioning and the structural integrity of built parts. This work presents a comprehensive study on the scanning path type and preheating temperature for AlSi10Mg alloy during SLM. According to the results, SLM AlSi10Mg parts fabricated in chessboard scanning strategy have higher mechanical properties or at least comparable to the parts fabricated in uniformity scanning strategy. In the SLM processing, the residual stress in different parts of the specimen varies with temperature gradient, and the residual stress at the edge of the specimen is obviously larger than that at the center. Under the chessboard scanning and preheating temperature 160°C, the residual stress in each direction of the specimens reaches the minimum. Under different forming processes, the morphology of the microstructure is obviously different. With the increase of preheating temperature, the molten pool in the side surface is obviously elongated and highly unevenly distributed. From the coupling relationship between the residual stress and microstructure, it can be found that the microstructure of top surface is affected by residual stresses σx and σy. But the side surface is mainly governed by residual stress σy; moreover, the greater the residual stress, the more obvious the grain tilt. In the XY and XZ surfaces, the scanning strategy has little influence on the tilt angle of the grain. But, the tilt angle and morphology of the microstructure are obviously affected by the preheating temperature. The results show that the residual stresses can effectively change the properties of the materials under the combined influence of scanning strategy and preheating temperature.

  11. Generalized theory of spin fluctuations in itinerant electron magnets: Crucial role of spin anharmonicity

    International Nuclear Information System (INIS)

    Solontsov, A.

    2015-01-01

    The paper critically overviews the recent developments of the theory of spatially dispersive spin fluctuations (SF) in itinerant electron magnetism with particular emphasis on spin-fluctuation coupling or spin anharmonicity. It is argued that the conventional self-consistent renormalized (SCR) theory of spin fluctuations is usually used aside of the range of its applicability actually defined by the constraint of weak spin anharmonicity based on the random phase approximation (RPA) arguments. An essential step in understanding SF in itinerant magnets beyond RPA-like arguments was made recently within the soft-mode theory of SF accounting for strong spin anharmonicity caused by zero-point SF. In the present paper we generalize it to apply for a wider range of temperatures and regimes of SF and show it to lead to qualitatively new results caused by zero-point effects. - Highlights: • We review the spin-fluctuation theory of itinerant electron magnets with account of zero-point effects. • We generalize the existing theory to account for different regimes of spin fluctuations. • We show that zero-point spin fluctuations play a crucial role in both low- and high-temperature properties of metallic magnets. • We argue that a new scheme of calculation of ground state properties of magnets is needed including zero-point effects

  12. X-ray diffraction stress analysis of ferroelectric thin films with ideal (h k l) textures considering the piezoelectric coupling effect

    International Nuclear Information System (INIS)

    Wu Huaping; Wu Linzhi; Li Jiquan; Chai Guozhong; Du Shanyi

    2010-01-01

    Ferroelectric thin films present large residual stress and strong texture during preparation, which affect the mechanical, dielectric and piezoelectric properties of the thin films. The determination of residual stresses in ferroelectric thin films with different textures is therefore very important. In this paper, an extended crystallite group model to evaluate the residual stresses of ferroelectric thin films using X-ray diffraction is proposed by considering the constitutive equation of orthogonally anisotropic ferroelectric medium. The effects of anisotropy and piezoelectric coupling on residual stresses of ferroelectric thin films are analyzed. X-ray stress factors for ideal (h k l)-textured ferroelectric thin films are obtained. An example of calculating the residual stresses of tetragonal perovskite ferroelectric thin films with (1 1 1) and (1 0 0) textures using the extended model is provided to validate the model.

  13. PENETAPAN RESIDU DAN PERKIRAAN PENETAPAN BATAS MAKSIMUM RESIDU (BMR ORGANOKLORIN PADA SIMPLISIA

    Directory of Open Access Journals (Sweden)

    Ani Isnawati

    2012-10-01

    Full Text Available Penggunaaan bahan obat tradisional (simplisia untuk skala industri dan peningkatan produksi tanaman obat dalam skala besar menjadi tidak ekonomis tanpa pestisida. Disatu sisi penggunaan pestisida dapat menguntungkan yaitu menyebabkan toksis pada hama namun disisi lain toksisitas dapat terjadi juga pada manusia, sehingga residu pestisida dalam tanaman obat yang dikonsumsi dalam jangka panjang akan merugikan kesehatan. Batas maksimum Residu (BMR pestisida dalam simplisia baik di Indonesia maupun di negara lain belum ditetapkan. Sehingga untuk itu untuk mengetahui adanya residu pestisida jenis organoklorin yang telah dilarang penggunaannya melalui Permentan No.434.1/kpts/TP.270/7/2001 dan untuk mengetahui batas keamanannya, maka perlu dilakukan penetapan residu organoklorin dalam simplisia dan menetapkan batas keamanan berdasarkan perhitungan secara teoritis. Pengujian residu dilakukan terhadap golongan pestisida organoklorin pada 4 jenis simplisia (daun wungu (Graptophyllum pictum (L Grifl, daun sambiloto Andrographis paniculata Ness, herba pegagan (Centella  asiatica (L Urban, daun tempuyung (Sonchus arvensis (L yang berasal dari 3 lokasi penanaman, yaitu : perkebunan Tanaman Obat Manako (Jawa Barat, Balai Penelitian Tanaman Obat Tawangmangu (BPTO di Jawa Tengah dan Perkebunan Tanaman Obat Purwodadi (Jawa Timur. Pemeriksaan residu pestisida organoklorin menggunakan kromatografi gas dan perhitungan batas keamanan dihitung dengan adanya nilai ADI (Acceptable daily intake yang telah ditetapkan bersama antara JAO dan WHO serta perkiraan banyaknya konsumsi simplisia. Hasil Pengujian residu pestisida organoklorin diperoleh bahwa simplisia daun Wungu (Tawangmangu mengandung residu lindan dengan kadar 0,24 mg/kg, pegagan (Purwodadi, mengandung lindan 0,36 mg/kg dan aldrin 0,31 mg/kg serta pegagan (Manako mengandung heptaklor 0,15 mg/kg dan op-DDE 0,11 mg/kg. Adapun penghitungan BMR heptaklor dan lindan secara teoritis dengan asumsi rata

  14. Total synthesis of fully tritiated Leu-enkephalin by enzymatic coupling

    Energy Technology Data Exchange (ETDEWEB)

    Hellio, F.; Lecocq, G.; Morgat, J.L.; Gueguen, P. (CEA Centre d' Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France). Service de Biochimie)

    1990-09-01

    This paper describes the total enzymatic synthesis of Leu-enkephalin (Tyr-Gly-Gly-Phe-Leu) in which all residues were labelled with tritium. Carboxypeptidase Y from Saccharomyces cerevisiae was the coupling enzyme. ({sup 3}H)-Tyr-NH{sub 2}, ({sup 3}H)-Gly-Oet, ({sup 3}H)-Phe-NH{sub 2} and ({sup 3}H)-Leu-NH{sub 2} were prepared with specific radioactivities ranging between 20 and 60 Ci/mmol (740 to 2220 GBq/mmol). Using a microscale procedure, we obtained a fully tritiated hormone having a specific radioactivity equal to 139 Ci/mmol (5143 GBq/mmol), in agreement with the summation of the specific radioactivities of constituting residue. The radioactive hormone had antigenic properties identical to those of native Leu-enkephalin. It also bound to rat brain opiate receptors like the parental hormone. (author).

  15. Residual magnetic field in rotary machines; Campo magnetico residual en maquinas rotatorias

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez V, Esteban A; Apanco R, Marcelino [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico)

    2007-07-01

    The residual magnetism is a phenomenon in which the magnetic dipoles of a substance are oriented in a certain degree. On the other hand, when internal forces exist capable of aligning elementary magnetic dipoles of a material, a permanent magnet is obtained. Just as in a conductor or in a material, in the elements of a rotary electrical machine magnetic fields can be induced that produce a residual magnetism or magnetization. In the rotary electrical machines, the magnetization phenomenon causes serious problems, such as the generation of induced currents that propitiate the mechanical wear in bearings, collars, trunnions and inclusive in the shaft, by effects known as pitting, frosting and spark tracks, as well as erroneous readings in vibration and temperature sensors, that in some cases can cause the shut down of the machine. In this article are presented the general concepts on the residual magnetism in rotary electrical machines, the causes that originate it and the problems that arises, as well as the demagnetization of the components that have residual magnetic field. The results obtained by the area of Electrical Equipment of the Instituto de Investigaciones Electricas are revised, during the execution of activities related to the measurement and elimination of the residual magnetic field in rotary electrical machines. [Spanish] El magnetismo residual es un fenomeno en el que los dipolos magneticos de una sustancia se encuentran orientados en un grado determinado. Por otro lado, cuando existen fuerzas internas capaces de alinear los dipolos magneticos elementales de un material, se tiene un iman permanente. Al igual que en un conductor o un material, en los elementos de una maquina electrica rotatoria se pueden inducir campos magneticos que producen un magnetismo residual o magnetizacion. En las maquinas electricas rotatorias, el fenomeno de magnetizacion causa graves problemas, como la generacion de corrientes inducidas que propician el desgaste mecanico

  16. Study on Fluid-solid Coupling Mathematical Models and Numerical Simulation of Coal Containing Gas

    Science.gov (United States)

    Xu, Gang; Hao, Meng; Jin, Hongwei

    2018-02-01

    Based on coal seam gas migration theory under multi-physics field coupling effect, fluid-solid coupling model of coal seam gas was build using elastic mechanics, fluid mechanics in porous medium and effective stress principle. Gas seepage behavior under different original gas pressure was simulated. Results indicated that residual gas pressure, gas pressure gradient and gas low were bigger when original gas pressure was higher. Coal permeability distribution decreased exponentially when original gas pressure was lower than critical pressure. Coal permeability decreased rapidly first and then increased slowly when original pressure was higher than critical pressure.

  17. Metallic elements fractionation in municipal solid waste incineration residues

    Science.gov (United States)

    Kowalski, Piotr R.; Kasina, Monika; Michalik, Marek

    2016-04-01

    Municipal solid waste incineration (MSWI) residues are represented by three main materials: bottom ash, fly ash and air pollution control (APC) residues. Among them ˜80 wt% is bottom ash. All of that materials are products of high temperature (>1000° C) treatment of waste. Incineration process allows to obtain significant reduction of waste mass (up to 70%) and volume (up to 90%) what is commonly used in waste management to reduce the amount need to be landfilled or managed in other way. Incineration promote accumulation non-combustible fraction of waste, which part are metallic elements. That type of concentration is object of concerns about the incineration residues impact on the environment and also gives the possibility of attempts to recover them. Metallic elements are not equally distributed among the materials. Several factors influence the process: melting points, volatility and place and forms of metallic occurrence in the incinerated waste. To investigate metallic elements distribution in MSWI residues samples from one of the biggest MSW incineration plant in Poland were collected in 2015. Chemical analysis with emphasis on the metallic elements content were performed using inductively coupled plasma optical emission (ICP-OES) and mass spectrometry (ICP-MS). The bottom ash was a SiO2-CaO-Al2O3-Fe2O3-Na2O rich material, whereas fly ash and APC residues were mostly composed of CaO and SiO2. All of the materials were rich in amorphous phase occurring together with various, mostly silicate crystalline phases. In a mass of bottom ash 11 wt% were metallic elements but also in ashes 8.5 wt% (fly ash) and ˜4.5 wt% (APC residues) of them were present. Among the metallic elements equal distribution between bottom and fly ash was observed for Al (˜3.85 wt%), Mn (770 ppm) and Ni (˜65 ppm). In bottom ash Fe (5.5 wt%), Cr (590 ppm) and Cu (1250 ppm) were concentrated. These values in comparison to fly ash were 5-fold higher for Fe, 3-fold for Cu and 1.5-fold for

  18. Application of a hybrid ordered mesoporous silica as sorbent for solid-phase multi-residue extraction of veterinary drugs in meat by ultra-high-performance liquid chromatography coupled to ion-trap tandem mass spectrometry.

    Science.gov (United States)

    Casado, Natalia; Morante-Zarcero, Sonia; Pérez-Quintanilla, Damián; Sierra, Isabel

    2016-08-12

    A quick, sensitive and selective analytical reversed-phase multi-residue method using ultra-high performance liquid chromatography coupled to an ion-trap mass spectrometry detector (UHPLC-IT-MS/MS) operating in both positive and negative ion mode was developed for the simultaneous determination of 23 veterinary drug residues (β-blockers, β-agonists and Non-Steroidal Anti-inflammatory Drugs (NSAIDs)) in meat samples. The sample treatment involved a liquid-solid extraction followed by a solid-phase extraction (SPE) procedure. SBA-15 type mesoporous silica was synthetized and modified with octadecylsilane, and the resulting hybrid material (denoted as SBA-15-C18) was applied and evaluated as SPE sorbent in the purification of samples. The materials were comprehensively characterized, and they showed a high surface area, high pore volume and a homogeneous distribution of the pores. Chromatographic conditions and extraction procedure were optimized, and the method was validated according to the Commission Decision 2002/657/EC. The method detection limits (MDLs) and the method quantification limits (MQLs) were determined for all the analytes in meat samples and found to range between 0.01-18.75μg/kg and 0.02-62.50μg/kg, respectively. Recoveries for 15 of the target analytes ranged from 71 to 98%. In addition, for comparative purpose SBA-15-C18 was evaluated towards commercial C18 amorphous silica. Results revealed that SBA-15-C18 was clearly more successful in the multi-residue extraction of the 23 mentioned analytes with higher recovery values. The method was successfully tested to analyze prepacked preparations of mince bovine meat. Traces of propranolol, ketoprofen and diclofenac were detected in some samples. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Microwave assisted solvent extraction and coupled-column reversed-phase liquid chromatography with UV detection use of an analytical restricted-access-medium column for the efficient multi-residue analysis of acidic pesticides in soils.

    Science.gov (United States)

    Hogendoom, E A; Huls, R; Dijkman, E; Hoogerbrugge, R

    2001-12-14

    A screening method has been developed for the determination of acidic pesticides in various types of soils. Methodology is based on the use of microwave assisted solvent extraction (MASE) for fast and efficient extraction of the analytes from the soils and coupled-column reversed-phase liquid chromatography (LC-LC) with UV detection at 228 nm for the instrumental analysis of uncleaned extracts. Four types of soils, including sand, clay and peat, with a range in organic matter content of 0.3-13% and ten acidic pesticides of different chemical families (bentazone, bromoxynil, metsulfuron-methyl, 2,4-D, MCPA, MCPP, 2,4-DP, 2,4,5-T, 2,4-DB and MCPB) were selected as matrices and analytes, respectively. The method developed included the selection of suitable MASE and LC-LC conditions. The latter consisted of the selection of a 5-microm GFF-II internal surface reversed-phase (ISRP, Pinkerton) analytical column (50 x 4.6 mm, I.D.) as the first column in the RAM-C18 configuration in combination with an optimised linear gradient elution including on-line cleanup of sample extracts and reconditioning of the columns. The method was validated with the analysis of freshly spiked samples and samples with aged residues (120 days). The four types of soils were spiked with the ten acidic pesticides at levels between 20 and 200 microg/kg. Weighted regression of the recovery data showed for most analyte-matrix combinations, including freshly spiked samples and aged residues, that the method provides overall recoveries between 60 and 90% with relative standard deviations of the intra-laboratory reproducibility's between 5 and 25%; LODs were obtained between 5 and 50 microg/kg. Evaluation of the data set with principal component analysis revealed that the parameters (i) increase of organic matter content of the soil samples and (ii) aged residues negatively effect the recovery of the analytes.

  20. Facile measurement of {sup 1}H-{sup 15}N residual dipolar couplings in larger perdeuterated proteins

    Energy Technology Data Exchange (ETDEWEB)

    Fitzkee, Nicholas C.; Bax, Ad, E-mail: bax@nih.go [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

    2010-10-15

    We present a simple method, ARTSY, for extracting {sup 1}J{sub NH} couplings and {sup 1}H-{sup 15}N RDCs from an interleaved set of two-dimensional {sup 1}H-{sup 15}N TROSY-HSQC spectra, based on the principle of quantitative J correlation. The primary advantage of the ARTSY method over other methods is the ability to measure couplings without scaling peak positions or altering the narrow line widths characteristic of TROSY spectra. Accuracy of the method is demonstrated for the model system GB3. Application to the catalytic core domain of HIV integrase, a 36 kDa homodimer with unfavorable spectral characteristics, demonstrates its practical utility. Precision of the RDC measurement is limited by the signal-to-noise ratio, S/N, achievable in the 2D TROSY-HSQC spectrum, and is approximately given by 30/(S/N) Hz.

  1. Mid-infrared spectroscopy and multivariate analysis for determination of tetracycline residues in cow's milk

    Directory of Open Access Journals (Sweden)

    Lizeth Mariel Casarrubias-Torres

    2018-01-01

    Full Text Available Mid-infrared spectroscopy and chemometric analysis were tested to determine tetracycline's residues in cow's milk. Cow's milk samples (n = 30 were spiked with tetracycline, chlortetracycline, and oxytetracycline in the range of 10-400 µg/l. Chemometric models to quantify each of the tetracycline's residues were developed by applying Partial Components Regression and Partial Least Squares algorithms. The Soft Independent Modeling of Class Analogy model was used to differentiate between pure milk and milk sample with tetracycline residues. The best models for predicting the levels of these antibiotics were obtained using Partial Least Square 1 algorithm (coefficient of determination between 0.997-0.999 and the standard error of calibration from 1.81 to 2.95. The Soft Independent Modeling of Class Analogy model showed well-separated groups allowing classification of milk samples and milk sample with antibiotics. The obtained results demonstrate the great analytical potential of chemometrics coupled with mid-infrared spectroscopy for the prediction of antibiotic in cow's milk at a concentration of microgram per litre (µg/l. This technique can be used to verify the safety of the milk rapidly and reliably.

  2. Mapping allostery through computational glycine scanning and correlation analysis of residue-residue contacts.

    Science.gov (United States)

    Johnson, Quentin R; Lindsay, Richard J; Nellas, Ricky B; Fernandez, Elias J; Shen, Tongye

    2015-02-24

    Understanding allosteric mechanisms is essential for the physical control of molecular switches and downstream cellular responses. However, it is difficult to decode essential allosteric motions in a high-throughput scheme. A general two-pronged approach to performing automatic data reduction of simulation trajectories is presented here. The first step involves coarse-graining and identifying the most dynamic residue-residue contacts. The second step is performing principal component analysis of these contacts and extracting the large-scale collective motions expressed via these residue-residue contacts. We demonstrated the method using a protein complex of nuclear receptors. Using atomistic modeling and simulation, we examined the protein complex and a set of 18 glycine point mutations of residues that constitute the binding pocket of the ligand effector. The important motions that are responsible for the allostery are reported. In contrast to conventional induced-fit and lock-and-key binding mechanisms, a novel "frustrated-fit" binding mechanism of RXR for allosteric control was revealed.

  3. Modelling of the long-term fate of pesticide residues in agricultural soils and their surface exchange with the atmosphere: Part II. Projected long-term fate of pesticide residues.

    Science.gov (United States)

    Scholtz, M T; Bidleman, T F

    2007-05-01

    In the first part of this paper, a simple coupled dynamic soil-atmosphere model for studying the gaseous exchange of pesticide soil residues with the atmosphere is described and evaluated by comparing model results with published measurements of pesticide concentrations in air and soil. In Part II, the model is used to study the concentration profiles of pesticide residues in both undisturbed and annually tilled agricultural soils. Future trends are estimated for the measured air and soil concentrations of lindane and six highly persistent pesticides (toxaphene, p,p'-DDE, dieldrin, cis- and trans-chlordane and trans-nonachlor) over a twenty-year period due to volatilization and leaching into the deeper soil. Wet deposition and particle associated pesticide deposition (that increase soil residue concentrations) and soil erosion, degradation in the soil (other than for lindane) and run-off in precipitation are not considered in this study. Estimates of the rain deposition fluxes are reported that show that, other than for lindane, net volatilization fluxes greatly exceed rain deposition fluxes. The model shows that the persistent pesticides studied are highly immobile in soil and that loss of these highly persistent residues from the soil is by volatilization rather than leaching into the deeper soil. The soil residue levels of these six pesticides are currently sources of net volatilization to the atmosphere and will remain so for many years. The maximum rate of volatilization from the soil was simulated by setting the atmospheric background concentration to zero; these simulations show that the rates of volatilization will not be significantly increased since soil resistance rather than the atmospheric concentration controls the volatilization rates. Annual tilling of the soils increases the volatilization loss to the atmosphere. Nonetheless, the model predicts that, if only air-soil exchange is considered, more than 76% of current persistent pesticide residues

  4. Characterization Report on Sand, Slag, and Crucible Residues and on Fluoride Residues

    International Nuclear Information System (INIS)

    Murray, A.M.

    1999-01-01

    This paper reports on the chemical characterization of the sand, slag, and crucible (SS and C) residues and the fluoride residues that may be shipped from the Rocky Flats Environmental Technology Site (RFETS) to Savannah River Site (SRS)

  5. Analysis of a proposed crucial test of quantum mechanics

    International Nuclear Information System (INIS)

    Collett, M.J.; Loudon, R.

    1987-01-01

    An experiment based on an extension of the Einstein-Podolsky-Rosen argument has been proposed by Popper as a crucial test of the Copenhagen interpretation of quantum mechanics. Here the authors show, by a slightly more complete version of Popper's analysis, although still at a relatively primitive level of sophistication, that the proposed experiment does not in fact provide such a test. (author)

  6. Correction of vertical dispersion and betatron coupling for the CLIC damping ring

    CERN Document Server

    Korostelev, M S

    2006-01-01

    The sensitivity of the CLIC damping ring to various kinds of alignment errors has been studied. Without any correction, fairly small vertical misalignments of the quadrupoles and, in particular, the sextupoles, introduce unacceptable distortions of the closed orbit as well as intolerable spurious vertical dispersion and coupling due to the strong focusing optics of the damping ring. A sophisticated beam-based correction scheme has been developed to bring the design target emittances and the dynamic aperture back to the ideal value. The correction using dipolar correctors and several skew quadrupole correctors allows a minimization of the closed-orbit distortion, the cross-talk between vertical and horizontal closed orbits, the residual vertical dispersion and the betatron coupling.

  7. Numerical investigation for combustion characteristics of vacuum residue (VR) in a test furnace

    International Nuclear Information System (INIS)

    Sreedhara, S.; Huh, Kang Y.; Park, Hoyoung

    2007-01-01

    It has become inevitable to search for alternative fuels due to current worldwide energy crisis. In this paper combustion characteristics of vacuum residue (VR) is investigated numerically against experimental data in typical operating conditions of a furnace. Heat release reaction is modeled as sequential steps of devolatilization, simplified gas phase reaction and char oxidation as for pulverized coal. Thermal and fuel NO are predicted by the conditional moment closure (CMC) method for estimation of elementary reaction rates. It turns out that Sauter mean diameter (SMD) of VR droplets is a crucial parameter for better combustion efficiency and lower NO. Reasonable agreement is achieved for spatial distributions of major species, temperature and NO for all test cases with different fuel and steam flow rates

  8. Temperature and cooling field dependent exchange coupling in [Cr/Gd]{sub 5} multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Z.W.; Chen, H.J.; Jiang, W.D.; Wang, J.F.; Yu, S.J. [Department of Physics, China Jiliang University, Hangzhou (China); Hou, Y.L.; Lu, B.; Ye, Q.L. [Department of Physics, Hangzhou Normal University, Hangzhou (China)

    2016-09-15

    Exchange coupling has been investigated in the [Cr/Gd]{sub 5} multilayers deposited at 25, 200, and 400 C, where the Neel temperature (T{sub N}) of antiferromagnetic Cr is slightly higher than the Curie temperature (T{sub C}) of ferromagnetic Gd. It was found that the exchange coupling existed not only at T{sub C} < T < T{sub N}, but also above the temperature (T{sub N}) of antiferromagnetic orderings with incommensurate spin-density wave structures transiting to paramagnetic state. These results can be discussed in terms of the crucial role played by the antiferromagnetic spins of Cr with commensurate spin-density wave structures in the vicinity of the Cr/Gd interfaces. Moreover, the exchange coupling of the multilayers grown at different temperatures exhibited different dependencies on the measuring temperature and the cooling field, respectively. Positive exchange bias was observed in the multilayers grown at 200 and 400 C. The interfacial roughness, grain size, and the antiferromagnetic orderings of Cr may be responsible for the anomalous exchange coupling of the multilayers. In addition, the competition between the exchange coupling at Cr/Gd interfaces and the external field-Cr surface magnetic coupling can explain the appearance of negative or positive exchange bias. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Reactivity of Athabasca residue and of its SARA fractions during residue hydroconversion

    Energy Technology Data Exchange (ETDEWEB)

    Verstraete, J.; Danial-Fortain, P.; Gauthier, T.; Merdrignac, I. [IFP-Lyon, Vermaison (France); Budzinski, H. [Bordeaux Univ. (France). ISM-LPTC, UMR CNRS

    2009-07-01

    Residue conversion processes are becoming increasingly important because of the declining market for residual fuel oil and a greater demand for middle distillates. Ebullated-bed hydroconversion is a commercially proven technology for converting heavy feedstocks with high amounts of impurities. The process enables the conversion of atmospheric or vacuum residues at temperatures up to 440 degrees C, and at liquid hourly space velocity (LHSV) conditions in the range of 0.15 to 0.5 per hour. A 540 degrees C conversion of up to 80 weight per cent can be achieved under these conditions. This paper reported on a research study conducted at IFP Lyon in which the residue hydroconversion in a large-scale ebullated bed bench unit was investigated to determine the impact of operating conditions and feed properties on yield and product qualities. Hydrogen was added to the feed in the bench units to keep a high hydrogen partial pressure and favour the catalytic hydroconversion reactions. In a typical test, the reactor was fed with 50 g of feedstock and 0.45 g of crushed equilibrium industrial NiMo catalyst, pressurized hydrogen and quickly heated at the reaction temperature. This paper also discussed the conversion of Athabasca bitumen residue in the large-scale pilot plant and also in the small scale batch reactor. The effect of operating temperature and space velocity was examined. The reactivity of the saturates, aromatics, resins and asphaltenes (SARA) fractions of the bitumen was studied separately in order to better understand the conversion mechanisms and reactivities. The Athabasca bitumen feed and SARA fractions were also analyzed in terms of standard petroleum analysis, SARA fractionation, elemental analysis, size exclusion chromatography (SEC) and 13C NMR. Hydroconversion experiments were conducted in the batch unit at different reaction temperatures and reaction times. A comparison of small-scale batch results with those obtained with the continuous large-scale bench

  10. The numerical high cycle fatigue damage model of fillet weld joint under weld-induced residual stresses

    Science.gov (United States)

    Nguyen Van Do, Vuong

    2018-04-01

    In this study, a development of nonlinear continuum damage mechanics (CDM) model for multiaxial high cycle fatigue is proposed in which the cyclic plasticity constitutive model has been incorporated in the finite element (FE) framework. T-joint FE simulation of fillet welding is implemented to characterize sequentially coupled three-dimensional (3-D) of thermo-mechanical FE formulation and simulate the welding residual stresses. The high cycle fatigue damage model is then taken account into the fillet weld joints under the various cyclic fatigue load types to calculate the fatigue life considering the residual stresses. The fatigue crack initiation and the propagation in the present model estimated for the total fatigue is compared with the experimental results. The FE results illustrated that the proposed high cycle fatigue damage model in this study could become a powerful tool to effectively predict the fatigue life of the welds. Parametric studies in this work are also demonstrated that the welding residual stresses cannot be ignored in the computation of the fatigue life of welded structures.

  11. A tightly-coupled domain-decomposition approach for highly nonlinear stochastic multiphysics systems

    Energy Technology Data Exchange (ETDEWEB)

    Taverniers, Søren; Tartakovsky, Daniel M., E-mail: dmt@ucsd.edu

    2017-02-01

    Multiphysics simulations often involve nonlinear components that are driven by internally generated or externally imposed random fluctuations. When used with a domain-decomposition (DD) algorithm, such components have to be coupled in a way that both accurately propagates the noise between the subdomains and lends itself to a stable and cost-effective temporal integration. We develop a conservative DD approach in which tight coupling is obtained by using a Jacobian-free Newton–Krylov (JfNK) method with a generalized minimum residual iterative linear solver. This strategy is tested on a coupled nonlinear diffusion system forced by a truncated Gaussian noise at the boundary. Enforcement of path-wise continuity of the state variable and its flux, as opposed to continuity in the mean, at interfaces between subdomains enables the DD algorithm to correctly propagate boundary fluctuations throughout the computational domain. Reliance on a single Newton iteration (explicit coupling), rather than on the fully converged JfNK (implicit) coupling, may increase the solution error by an order of magnitude. Increase in communication frequency between the DD components reduces the explicit coupling's error, but makes it less efficient than the implicit coupling at comparable error levels for all noise strengths considered. Finally, the DD algorithm with the implicit JfNK coupling resolves temporally-correlated fluctuations of the boundary noise when the correlation time of the latter exceeds some multiple of an appropriately defined characteristic diffusion time.

  12. CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1.

    Science.gov (United States)

    Huynh, Kevin W; Jiang, Jiansen; Abuladze, Natalia; Tsirulnikov, Kirill; Kao, Liyo; Shao, Xuesi; Newman, Debra; Azimov, Rustam; Pushkin, Alexander; Zhou, Z Hong; Kurtz, Ira

    2018-03-02

    Na + -coupled acid-base transporters play essential roles in human biology. Their dysfunction has been linked to cancer, heart, and brain disease. High-resolution structures of mammalian Na + -coupled acid-base transporters are not available. The sodium-bicarbonate cotransporter NBCe1 functions in multiple organs and its mutations cause blindness, abnormal growth and blood chemistry, migraines, and impaired cognitive function. Here, we have determined the structure of the membrane domain dimer of human NBCe1 at 3.9 Å resolution by cryo electron microscopy. Our atomic model and functional mutagenesis revealed the ion accessibility pathway and the ion coordination site, the latter containing residues involved in human disease-causing mutations. We identified a small number of residues within the ion coordination site whose modification transformed NBCe1 into an anion exchanger. Our data suggest that symporters and exchangers utilize comparable transport machinery and that subtle differences in their substrate-binding regions have very significant effects on their transport mode.

  13. Identification of critical residues of linear B cell epitope on Goodpasture autoantigen.

    Directory of Open Access Journals (Sweden)

    Xiao-yu Jia

    Full Text Available The autoantigen of anti-glomerular basement membrane (GBM disease has been identified as the non-collagenous domain 1 of α3 chain of type IV collagen, α3(IVNC1. Our previous study revealed a peptide on α3(IVNC1 as a major linear epitope for B cells and potentially nephrogenic, designated as P14 (α3129-150. This peptide has also been proven to be the epitope of auto-reactive T cells in anti-GBM patients. This study was aimed to further characterize the critical motif of P14.16 patients with anti-GBM disease and positive anti-P14 antibodies were enrolled. A set of truncated and alanine substituted peptides derived from P14 were synthesized. Circulating antibodies against the peptides were detected by enzyme linked immunosorbent assay (ELISA.We found that all sera with anti-P14 antibodies reacted with the 13-mer sequence in the C-terminus of P14 (P14c exclusively. The level of antibodies against P14 was highly correlated with the level of antibodies against P14c (r=0.970, P<0.001. P14c was the core immunogenic region and the amino acid sequence (ISLWKGFSFIMFT was highly hydrophobic. Each amino acid residue in P14c was sequentially replaced by alanine. Three residues of glycine142, phenylalanine143, and phenylalanine145 were identified crucial for antibody binding based on the remarkable decline (P<0.001 of antibody reaction after each residue replacement.We defined GFxF (α3142, 143,145 as the critical motif of P14. It may provide some clues for understanding the etiology of anti-GBM disease.

  14. Do the Uncertainty Relations Really have Crucial Significances for Physics?

    Directory of Open Access Journals (Sweden)

    Dumitru S.

    2010-10-01

    Full Text Available It is proved the falsity of idea that the Uncertainty Relations (UR have crucial signif- icances for physics. Additionally one argues for the necesity of an UR-disconnected quantum philosophy.

  15. Results from Tight and Loose Coupled Multiphysics in Nuclear Fuels Performance Simulations using BISON

    Energy Technology Data Exchange (ETDEWEB)

    S. R. Novascone; B. W. Spencer; D. Andrs; R. L. Williamson; J. D. Hales; D. M. Perez

    2013-05-01

    The behavior of nuclear fuel in the reactor environment is affected by multiple physics, most notably heat conduction and solid mechanics, which can have a strong influence on each other. To provide credible solutions, a fuel performance simulation code must have the ability to obtain solutions for each of the physics, including coupling between them. Solution strategies for solving systems of coupled equations can be categorized as loosely-coupled, where the individual physics are solved separately, keeping the solutions for the other physics fixed at each iteration, or tightly coupled, where the nonlinear solver simultaneously drives down the residual for each physics, taking into account the coupling between the physics in each nonlinear iteration. In this paper, we compare the performance of loosely and tightly coupled solution algorithms for thermomechanical problems involving coupled thermal and mechanical contact, which is a primary source of interdependence between thermal and mechanical solutions in fuel performance models. The results indicate that loosely-coupled simulations require significantly more nonlinear iterations, and may lead to convergence trouble when the thermal conductivity of the gap is too small. We also apply the tightly coupled solution strategy to a nuclear fuel simulation of an experiment in a test reactor. Studying the results from these simulations indicates that perhaps convergence for either approach may be problem dependent, i.e., there may be problems for which a loose coupled approach converges, where tightly coupled won’t converge and vice versa.

  16. Results from tight and loose coupled multiphysics in nuclear fuels performance simulations using BISON

    International Nuclear Information System (INIS)

    Novascone, S. R.; Spencer, B. W.; Andrs, D.; Williamson, R. L.; Hales, J. D.; Perez, D. M.

    2013-01-01

    The behavior of nuclear fuel in the reactor environment is affected by multiple physics, most notably heat conduction and solid mechanics, which can have a strong influence on each other. To provide credible solutions, a fuel performance simulation code must have the ability to obtain solutions for each of the physics, including coupling between them. Solution strategies for solving systems of coupled equations can be categorized as loosely-coupled, where the individual physics are solved separately, keeping the solutions for the other physics fixed at each iteration, or tightly coupled, where the nonlinear solver simultaneously drives down the residual for each physics, taking into account the coupling between the physics in each nonlinear iteration. In this paper, we compare the performance of loosely and tightly coupled solution algorithms for thermomechanical problems involving coupled thermal and mechanical contact, which is a primary source of interdependence between thermal and mechanical solutions in fuel performance models. The results indicate that loosely-coupled simulations require significantly more nonlinear iterations, and may lead to convergence trouble when the thermal conductivity of the gap is too small. We also apply the tightly coupled solution strategy to a nuclear fuel simulation of an experiment in a test reactor. Studying the results from these simulations indicates that perhaps convergence for either approach may be problem dependent, i.e., there may be problems for which a loose coupled approach converges, where tightly coupled won't converge and vice versa. (authors)

  17. Simultaneous biodegradation of carbon tetrachloride and trichloroethylene in a coupled anaerobic/aerobic biobarrier

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Kiwook [Department of Civil and Environmental Engineering, Hanyang University, 55 Hanyangdaehak-ro, Sangnok-gu, Ansan, Gyeonggi-do 15588 (Korea, Republic of); Shim, Hojae [Department of Civil and Environmental Engineering, Faculty of Science and Technology, University of Macau, Macau SAR, 999078 (China); Bae, Wookeun, E-mail: wkbae@hanyang.ac.kr [Department of Civil and Environmental Engineering, Hanyang University, 55 Hanyangdaehak-ro, Sangnok-gu, Ansan, Gyeonggi-do 15588 (Korea, Republic of); Oh, Juhyun; Bae, Jisu [Department of Civil and Environmental Engineering, Hanyang University, 55 Hanyangdaehak-ro, Sangnok-gu, Ansan, Gyeonggi-do 15588 (Korea, Republic of)

    2016-08-05

    Highlights: • Coupled biodegradation of carbon tetrachloride (CT) and trichloroethylene (TCE) in biobarrier with polyethylene glycol carriers. • TCE aerobically cometabolized and CT anaerobically dechlorinated. • Removal efficiencies of over 98%, leaving residuals below or near the regulatory standards. • Coupled aerobic/anaerobic environments established by H{sub 2}O{sub 2} injected at 50% of electron donor. • Longer retention time (from 3.6 to 7.2 days) achieved satisfactory removal at lower temperature (18 °C). - Abstract: Simultaneous biodegradation of carbon tetrachloride (CT) and trichloroethylene (TCE) in a biobarrier with polyethylene glycol (PEG) carriers was studied. Toluene/methanol and hydrogen peroxide (H{sub 2}O{sub 2}) were used as electron donors and an electron acceptor source, respectively, in order to develop a biologically active zone. The average removal efficiencies for TCE and toluene were over 99.3%, leaving the respective residual concentrations of ∼12 and ∼57 μg/L, which are below or close to the groundwater quality standards. The removal efficiency for CT was ∼98.1%, with its residual concentration (65.8 μg/L) slightly over the standards. TCE was aerobically cometabolized with toluene as substrate while CT was anaerobically dechlorinated in the presence of electron donors, with the respective stoichiometric amount of chloride released. The oxygen supply at equivalent to 50% chemical oxygen demand of the injected electron donors supported successful toluene oxidation and also allowed local anaerobic environments for CT reduction. The originally augmented (immobilized in PEG carriers) aerobic microbes were gradually outcompeted in obtaining substrate and oxygen. Instead, newly developed biofilms originated from indigenous microbes in soil adapted to the coupled anaerobic/aerobic environment in the carrier for the simultaneous and almost complete removal of CT, TCE, and toluene. The declined removal rates when temperature

  18. 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 .

  19. Comparison of veterinary drug residue results in animal tissues by ultrahigh-performance liquid chromatography coupled to triple quadrupole ... use of a commercial lipid removal product

    Science.gov (United States)

    Veterinary drug residues in animal-derived foods must be monitored to ensure food safety, verify proper veterinary practices, enforce legal limits in domestic and imported foods, and other purposes. A common goal in drug residue analysis in foods is to achieve acceptable monitoring results for as m...

  20. Forms and lability of phosphorus in algae and aquatic macrophytes characterized by solution 31P NMR coupled with enzymatic hydrolysis

    Science.gov (United States)

    Increased information on forms and lability of phosphorus (P) in aquatic macrophytes and algae is crucial for better understanding of P biogeochemical cycling in eutrophic lakes. In this work, solution 31P nuclear magnetic resonance (NMR) spectroscopy coupled with enzymatic hydrolysis (EH) was used ...

  1. Effect of Topology Structures on Synchronization Transition in Coupled Neuron Cells System

    International Nuclear Information System (INIS)

    Liang Li-Si; Zhang Ji-Qian; Xu Gui-Xia; Liu Le-Zhu; Huang Shou-Fang

    2013-01-01

    In this paper, by the help of evolutionary algorithm and using Hindmarsh—Rose (HR) neuron model, we investigate the effect of topology structures on synchronization transition between different states in coupled neuron cells system. First, we build different coupling structure with N cells, and found the effect of synchronized transition contact not only closely with the topology of the system, but also with whether there exist the ring structures in the system. In particular, both the size and the number of rings have greater effects on such transition behavior. Secondly, we introduce synchronization error to qualitative analyze the effect of the topology structure. Furthermore, by fitting the simulation results, we find that with the increment of the neurons number, there always exist the optimization structures which have the minimum number of connecting edges in the coupling systems. Above results show that the topology structures have a very crucial role on synchronization transition in coupled neuron system. Biological system may gradually acquire such efficient topology structures through the long-term evolution, thus the systems' information process may be optimized by this scheme. (interdisciplinary physics and related areas of science and technology)

  2. The different influence of the residual layer on the development of the summer convective boundary layer in two deserts in northwest China

    Science.gov (United States)

    Lin, Zhao; Bo, Han; Shihua, Lv; Lijuan, Wen; Xianhong, Meng; Zhaoguo, Li

    2018-02-01

    The development of the atmospheric boundary layer is closely connected with the exchange of momentum, heat, and mass near the Earth's surface, especially for a convective boundary layer (CBL). Besides being modulated by the buoyancy flux near the Earth's surface, some studies point out that a neutrally stratified residual layer is also crucial for the appearance of a deep CBL. To verify the importance of the residual layer, the CBLs over two deserts in northwest China (Badan Jaran and Taklimakan) were investigated. The summer CBL mean depth over the Taklimakan Desert is shallower than that over the Badan Jaran Desert, even when the sensible heat flux of the former is stronger. Meanwhile, the climatological mean residual layer in the Badan Jaran Desert is much deeper and neutrally stratified in summer. Moreover, we found a significant and negative correlation between the lapse rate of the residual layer and the CBL depth over the Badan Jaran Desert. The different lapse rates of the residual layer in the two regions are partly connected with the advection heating from large-scale atmospheric circulation. The advection heating tends to reduce the temperature difference in the 700 to 500-hPa layer over the Badan Jaran Desert, and it increases the stability in the same atmospheric layer over the Taklimakan Desert. The advection due to climatological mean atmospheric circulation is more effective at modulating the lapse rate of the residual layer than from varied circulation. Also, the interannual variation of planetary boundary layer (PBL) height over two deserts was found to covary with the wave train.

  3. Temperature-induced transitions in disordered proteins probed by NMR spectroscopy

    DEFF Research Database (Denmark)

    Kjærgaard, Magnus; Poulsen, Flemming Martin; Kragelund, Birthe Brandt

    2012-01-01

    Intrinsically disordered proteins are abundant in nature and perform many important physiological functions. Multidimensional NMR spectroscopy has been crucial for the understanding of the conformational properties of disordered proteins and is increasingly used to probe their conformational...... ensembles. Compared to folded proteins, disordered proteins are more malleable and more easily perturbed by environmental factors. Accordingly, the experimental conditions and especially the temperature modify the structural and functional properties of disordered proteins. NMR spectroscopy allows analysis...... of temperature-induced structural changes at residue resolution using secondary chemical shift analysis, paramagnetic relaxation enhancement, and residual dipolar couplings. This chapter discusses practical aspects of NMR studies of temperature-induced structural changes in disordered proteins....

  4. Machine for compacting solid residues

    International Nuclear Information System (INIS)

    Herzog, J.

    1981-11-01

    Machine for compacting solid residues, particularly bulky radioactive residues, constituted of a horizontally actuated punch and a fixed compression anvil, in which the residues are first compacted horizontally and then vertically. Its salient characteristic is that the punch and the compression anvil have embossments on the compression side and interpenetrating plates in the compression position [fr

  5. A coupled deformation-diffusion theory for fluid-saturated porous solids

    Science.gov (United States)

    Henann, David; Kamrin, Ken; Anand, Lallit

    2012-02-01

    Fluid-saturated porous materials are important in several familiar applications, such as the response of soils in geomechanics, food processing, pharmaceuticals, and the biomechanics of living bone tissue. An appropriate constitutive theory describing the coupling of the mechanical behavior of the porous solid with the transport of the fluid is a crucial ingredient towards understanding the material behavior in these varied applications. In this work, we formulate and numerically implement in a finite-element framework a large-deformation theory for coupled deformation-diffusion in isotropic, fluid-saturated porous solids. The theory synthesizes the classical Biot theory of linear poroelasticity and the more-recent Coussy theory of poroplasticity in a large deformation framework. In this talk, we highlight several salient features of our theory and discuss representative examples of the application of our numerical simulation capability to problems of consolidation as well as deformation localization in granular materials.

  6. The crucial dialogue between energy economists and oil geologists

    International Nuclear Information System (INIS)

    Perrodon, A.

    2005-01-01

    The world oil production trend in the coming years and decades is indisputably important. There are many scenarios, but their differences affect their reliability. Economists and geologists preparing such scenarios rely on data and reasoning that are often more complementary than contradictory to one another as they emphasize different points. Thus it is increasingly crucial and necessary to compare these various approaches in an honest and efficient dialogue. (author)

  7. DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts

    International Nuclear Information System (INIS)

    Meiler, Jens; Peti, Wolfgang; Griesinger, Christian

    2000-01-01

    A program, DipoCoup, is presented that allows to search the protein data bank for proteins which have a three dimensional fold that is at least partially homologous to a protein under investigation. The three dimensional homology search uses secondary structure alignment based on chemical shifts and dipolar couplings or pseudocontact shifts for the three dimensional orientation of secondary structure elements. Moreover, the program offers additional tools for handling and analyzing dipolar couplings

  8. Stability of Einstein static universe in gravity theory with a non-minimal derivative coupling

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Qihong [Hunan Normal University, Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications, Changsha, Hunan (China); Zunyi Normal College, School of Physics and Electronic Science, Zunyi (China); Wu, Puxun [Hunan Normal University, Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications, Changsha, Hunan (China); Peking University, Center for High Energy Physics, Beijing (China); Yu, Hongwei [Hunan Normal University, Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications, Changsha, Hunan (China)

    2018-01-15

    The emergent mechanism provides a possible way to resolve the big-bang singularity problem by assuming that our universe originates from the Einstein static (ES) state. Thus, the existence of a stable ES solution becomes a very crucial prerequisite for the emergent scenario. In this paper, we study the stability of an ES universe in gravity theory with a non-minimal coupling between the kinetic term of a scalar field and the Einstein tensor. We find that the ES solution is stable under both scalar and tensor perturbations when the model parameters satisfy certain conditions, which indicates that the big-bang singularity can be avoided successfully by the emergent mechanism in the non-minimally kinetic coupled gravity. (orig.)

  9. Stability of Einstein static universe in gravity theory with a non-minimal derivative coupling

    Science.gov (United States)

    Huang, Qihong; Wu, Puxun; Yu, Hongwei

    2018-01-01

    The emergent mechanism provides a possible way to resolve the big-bang singularity problem by assuming that our universe originates from the Einstein static (ES) state. Thus, the existence of a stable ES solution becomes a very crucial prerequisite for the emergent scenario. In this paper, we study the stability of an ES universe in gravity theory with a non-minimal coupling between the kinetic term of a scalar field and the Einstein tensor. We find that the ES solution is stable under both scalar and tensor perturbations when the model parameters satisfy certain conditions, which indicates that the big-bang singularity can be avoided successfully by the emergent mechanism in the non-minimally kinetic coupled gravity.

  10. Identification of gene expression patterns crucially involved in experimental autoimmune encephalomyelitis and multiple sclerosis

    Directory of Open Access Journals (Sweden)

    Martin M. Herrmann

    2016-10-01

    Full Text Available After encounter with a central nervous system (CNS-derived autoantigen, lymphocytes leave the lymph nodes and enter the CNS. This event leads only rarely to subsequent tissue damage. Genes relevant to CNS pathology after cell infiltration are largely undefined. Myelin-oligodendrocyte-glycoprotein (MOG-induced experimental autoimmune encephalomyelitis (EAE is an animal model of multiple sclerosis (MS, a chronic autoimmune disease of the CNS that results in disability. To assess genes that are involved in encephalitogenicity and subsequent tissue damage mediated by CNS-infiltrating cells, we performed a DNA microarray analysis from cells derived from lymph nodes and eluted from CNS in LEW.1AV1 (RT1av1 rats immunized with MOG 91-108. The data was compared to immunizations with adjuvant alone or naive rats and to immunizations with the immunogenic but not encephalitogenic MOG 73-90 peptide. Here, we show involvement of Cd38, Cxcr4 and Akt and confirm these findings by the use of Cd38-knockout (B6.129P2-Cd38tm1Lnd/J mice, S1P-receptor modulation during EAE and quantitative expression analysis in individuals with MS. The hereby-defined underlying pathways indicate cellular activation and migration pathways mediated by G-protein-coupled receptors as crucial events in CNS tissue damage. These pathways can be further explored for novel therapeutic interventions.

  11. An evaluation on the environmental consequences of residual CFCs from obsolete household refrigerators in China

    International Nuclear Information System (INIS)

    Zhao Xiangyang; Duan Huabo; Li Jinhui

    2011-01-01

    Chlorofluorocarbons (CFCs) contained in household refrigerators consist mainly of CFC-11 and CFC-12, which will be eventually released into the environment. Consequentially, environmental releases of these refrigerants will lead to ozone depletion and contribute significantly to the greenhouse effect, if waste refrigerators are not disposed of properly. In the present paper, the potential release of residual CFCs and their substitutes from obsolete household refrigerators in China is examined, and their contributions to ozone depletion and greenhouse effect are compared with those of other recognized ozone-depleting substances (ODS) and greenhouse gases (GHGs). The results imply that annual potential amounts of released residual CFC-11 and CFC-12 will reach their maximums at 4600 and 2300 tons, respectively in 2011, and then decrease gradually to zero until 2020. Meanwhile, the amounts of their most widely used substitutes HCFC-141b and HFC-134a will keep increasing. Subsequently, the contribution ratio of these CFCs and their substitutes to ozone depletion will remain at 25% through 2011, and reach its peak value of 34% by 2018. The contribution to greenhouse effect will reach its peak value of 0.57% by 2010. Moreover, the contribution ratio of these CFCs to the total global release of CFCs will steadily increase, reaching its peak of 15% by 2018. Thus, this period from 2010 to 2018 is a crucial time during which residual CFCs and their substitutes from obsolete household refrigerators in China will contribute significantly to ozone depletion.

  12. Analytical determination of size-dependent natural frequencies of fully clamped rectangular microplates based on the modified couple stress theory

    Energy Technology Data Exchange (ETDEWEB)

    Askari, Amir R.; Tahani, Masoud [Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of)

    2015-05-15

    This paper presents an analytical and size-dependent model for vibrational analysis of fully clamped rectangular microplates. Modified couple stress theory (MCST) and the Kirchhoff plate model are considered, and Hamilton's principle is employed to derive the size dependent equation of motion that accounts for the effect of residual stresses. The natural frequencies of the microplate are extracted analytically by extended Kantorovich method. The present findings are validated with the available results in the literature, and an excellent agreement is observed between them. In addition, a parametric study is conducted to demonstrate the significant effects of couple stress components on the natural frequencies of fully clamped microplates. The ratio of MCST natural frequencies to those obtained with classical theory depends only on the Poisson's ratio of the plate and is independent of the aspect ratio of the plate for cases with no residual stresses.

  13. Analytical determination of size-dependent natural frequencies of fully clamped rectangular microplates based on the modified couple stress theory

    International Nuclear Information System (INIS)

    Askari, Amir R.; Tahani, Masoud

    2015-01-01

    This paper presents an analytical and size-dependent model for vibrational analysis of fully clamped rectangular microplates. Modified couple stress theory (MCST) and the Kirchhoff plate model are considered, and Hamilton's principle is employed to derive the size dependent equation of motion that accounts for the effect of residual stresses. The natural frequencies of the microplate are extracted analytically by extended Kantorovich method. The present findings are validated with the available results in the literature, and an excellent agreement is observed between them. In addition, a parametric study is conducted to demonstrate the significant effects of couple stress components on the natural frequencies of fully clamped microplates. The ratio of MCST natural frequencies to those obtained with classical theory depends only on the Poisson's ratio of the plate and is independent of the aspect ratio of the plate for cases with no residual stresses.

  14. Fanatically Formative: Successful Learning during the Crucial K-3 Years

    Science.gov (United States)

    Sornson, Bob

    2012-01-01

    Helping children experience early learning success and acquire essential skills by third grade is a crucial part of any school reform effort. Yet, many teachers and children are overwhelmed by the ineffective curriculum-driven education system and the "rush to cover" climate in schools. "Fanatically Formative" shows how you can rediscover the joy…

  15. Seagrass meadows globally as a coupled social-ecological system: implications for human wellbeing.

    Science.gov (United States)

    Cullen-Unsworth, Leanne C; Nordlund, Lina Mtwana; Paddock, Jessica; Baker, Susan; McKenzie, Len J; Unsworth, Richard K F

    2014-06-30

    Seagrass ecosystems are diminishing worldwide and repeated studies confirm a lack of appreciation for the value of these systems. In order to highlight their value we provide the first discussion of seagrass meadows as a coupled social-ecological system on a global scale. We consider the impact of a declining resource on people, including those for whom seagrass meadows are utilised for income generation and a source of food security through fisheries support. Case studies from across the globe are used to demonstrate the intricate relationship between seagrass meadows and people that highlight the multi-functional role of seagrasses in human wellbeing. While each case underscores unique issues, these examples simultaneously reveal social-ecological coupling that transcends cultural and geographical boundaries. We conclude that understanding seagrass meadows as a coupled social-ecological system is crucial in carving pathways for social and ecological resilience in light of current patterns of local to global environmental change. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. Coupling effects in heterostructures of pentacene and perfluorinated pentacene studied by optical spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Broch, Katharina; Heinemeyer, Ute; Hinderhofer, Alexander; Gerlach, Alexander; Schreiber, Frank [Institut fuer Angewandte Physik, Tuebingen (Germany); Anger, Falk [Institut fuer Angewandte Physik, Tuebingen (Germany); MATGAS 2000 AIE, Campus de la UAB, Bellaterra (Spain); Osso, Oriol [MATGAS 2000 AIE, Campus de la UAB, Bellaterra (Spain); Scholz, Reinhard [Walter Schottky Institut, Technische Universitaet Muenchen, Garching (Germany)

    2010-07-01

    Heterostructures of organic semiconductors gain increasing interest in the last years because of their potential applications in organic electronics. To optimize those devices the understanding of the intermolecular coupling is crucial. Therefore, we investigate the optical absorption spectra of heterostructures and possible differences to the spectra of their single components. The combination of pentacene (PEN) with perfluorinated pentacene (PFP) is promising due to their similar geometric structure which can give rise to coevaporated films with a significant level of intermixing and accordingly an efficient intermolecular coupling. Indeed, performing in-situ-measurements with differential reflectance spectroscopy and spectroscopic ellipsometry we find features in the absorption spectra of mixed films that cannot be explained by a linear combination of the single film spectra. In the energy range between 1.4 eV and 2.4 eV spectra of PFP and PEN single and coevaporated films with different mixing ratios are compared and possible theoretical scenarios for coupling effects are discussed.

  17. Residual stress concerns in containment analysis

    International Nuclear Information System (INIS)

    Costantini, F.; Kulak, R. F.; Pfeiffer, P. A.

    1997-01-01

    The manufacturing of steel containment vessels starts with the forming of flat plates into curved plates. A steel containment structure is made by welding individual plates together to form the sections that make up the complex shaped vessels. The metal forming and welding process leaves residual stresses in the vessel walls. Generally, the effect of metal forming residual stresses can be reduced or virtually eliminated by thermally stress relieving the vesseL In large containment vessels this may not be practical and thus the residual stresses due to manufacturing may become important. The residual stresses could possibly tiect the response of the vessel to internal pressurization. When the level of residual stresses is significant it will affect the vessel's response, for instance the yielding pressure and possibly the failure pressure. The paper will address the effect of metal forming residual stresses on the response of a generic pressure vessel to internal pressurization. A scoping analysis investigated the effect of residual forming stresses on the response of an internally pressurized vessel. A simple model was developed to gain understanding of the mechanics of the problem. Residual stresses due to the welding process were not considered in this investigation

  18. Talking about domestic abuse: Crucial conversations for health visitors.

    Science.gov (United States)

    Bradbury-Jones, Caroline

    2015-12-01

    Domestic abuse is a serious problem across the world and it is considered a public health issue. Nurses play a crucial role in recognising and responding to domestic abuse but they sometimes lack confidence in dealing with the issue. In this article, two recently completed studies are used to extract lessons for health visiting practice. The first study investigated primary healthcare professionals' beliefs about domestic abuse. Many healthcare professionals were confident in dealing with domestic abuse. However, there was disinclination among some to discuss the issue. People who experience abuse rarely discuss it unless asked. So the study highlighted a potential dynamic of silence between health professionals and abused people in their care. The second study investigated student nurses and student midwives experiences of learning about domestic abuse. The student nurses had learned less than the student midwives. They had not been taught about domestic abuse in university and many had not had the opportunity to learn about it in clinical placement. They reported reluctance among some mentors to discuss the issue with them, with a resulting silencing of the issue. Both of these studies have important lessons for health visiting practice regarding opening up crucial conversations about domestic abuse.

  19. Characterization of Hospital Residuals

    International Nuclear Information System (INIS)

    Blanco Meza, A.; Bonilla Jimenez, S.

    1997-01-01

    The main objective of this investigation is the characterization of the solid residuals. A description of the handling of the liquid and gassy waste generated in hospitals is also given, identifying the source where they originate. To achieve the proposed objective the work was divided in three stages: The first one was the planning and the coordination with each hospital center, in this way, to determine the schedule of gathering of the waste can be possible. In the second stage a fieldwork was made; it consisted in gathering the quantitative and qualitative information of the general state of the handling of residuals. In the third and last stage, the information previously obtained was organized to express the results as the production rate per day by bed, generation of solid residuals for sampled services, type of solid residuals and density of the same ones. With the obtained results, approaches are settled down to either determine design parameters for final disposition whether for incineration, trituration, sanitary filler or recycling of some materials, and storage politics of the solid residuals that allow to determine the gathering frequency. The study concludes that it is necessary to improve the conditions of the residuals handling in some aspects, to provide the cleaning personnel of the equipment for gathering disposition and of security, minimum to carry out this work efficiently, and to maintain a control of all the dangerous waste, like sharp or polluted materials. In this way, an appreciable reduction is guaranteed in the impact on the atmosphere. (Author) [es

  20. Applications of bauxite residue: A mini-review.

    Science.gov (United States)

    Verma, Ajay S; Suri, Narendra M; Kant, Suman

    2017-10-01

    Bauxite residue is the waste generated during alumina production by Bayer's process. The amount of bauxite residue (40-50 wt%) generated depends on the quality of bauxite ore used for the processing. High alkalinity and high caustic content in bauxite residue causes environmental risk for fertile soil and ground water contamination. The caustic (NaOH) content in bauxite residue leads to human health risks, like dermal problems and irritation to eyes. Moreover, disposal of bauxite residue requires a large area; such problems can only be minimised by utilising bauxite residue effectively. For two decades, bauxite residue has been used as a binder in cement industries and filler/reinforcement for composite materials in the automobile industry. Valuable metals and oxides, like alumina (Al 2 O 3 ), titanium oxide (TiO 2 ) and iron oxide Fe 2 O 3 , were extracted from bauxite residue to reduce waste. Bauxite residue was utilised in construction and structure industries to make geopolymers. It was also used in the making of glass-ceramics and a coating material. Recently bauxite residue has been utilised to extract rare earth elements like scandium (Sc), yttrium (Y), lanthanum (La), cerium (Ce), neodymium (Nd) and dysprosium (Dy). In this review article, the mineralogical characteristics of bauxite residue are summarised and current progresses on utilisation of bauxite residue in different fields of science and engineering are presented in detail.

  1. Baryon femtoscopy considering residual correlations as a tool to extract strong interaction potentials

    Directory of Open Access Journals (Sweden)

    Szymański Maciej

    2015-01-01

    Full Text Available In this article, the analysis of baryon-antibaryon femtoscopic correlations is presented. In particular, it is shown that taking into account residual correlations is crucial for the description of pΛ¯$\\bar \\Lambda $ and p̄Λ correlation functions measured by the STAR experiment in Au–Au collisions at the centre-of-mass energy per nucleon pair √sNN = 200 GeV. This approach enables to obtain pΛ¯$\\bar \\Lambda $ (p̄Λ source size consistent with the sizes extracted from correlations in pΛ (p̄Λ¯$\\bar \\Lambda $ and lighter pair systems as well as with model predictions. Moreover, with this analysis it is possible to derive the unknown parameters of the strong interaction potential for baryon-antibaryon pairs under several assumptions.

  2. Crucial contextual attributes of nursing leadership towards a care ethics.

    Science.gov (United States)

    Gustafsson, Lena-Karin; Stenberg, Maja

    2017-06-01

    It is of importance to understand and communicate caring ethics as a ground for qualitative caring environments. Research is needed on nursing attributes that are visible in nursing leadership since it may give bases for reflections related to the patterns of specific contexts. The aim of this study was to illuminate the meaning of crucial attributes in nursing leadership toward an ethical care of patients in psychiatric in-patient settings. The design of the study was descriptive and qualitative with a phenomenological hermeneutical approach. Participants and research context: The study comprised focus group interviews with nurses working in indoor psychiatric care who participated after giving informed consent. Ethical considerations: Since the topic and informants are not labeled as sensitive and subject to ethical approval, it is not covered by the ethics committee's aim and purpose according to Swedish law. However, careful procedures have been followed according to ethics expressed in the Declaration of Helsinki. When identifying the thematic structures, analysis resulted in three major themes: To supply, including the following aspects: to supply evidence, to supply common space, and to supply good structures; To support, including the following aspects: to be a role model, to show appreciation and care, and to harbor; To shield, including the following aspects: to advocate, to emit non-tolerance of unethical behavior, and to reprove. Leadership is challenging for nurses and plays an important role in ethical qualitative care. These findings should not be understood as a description about nurse manager's role, which probably has different attributes and more focus on an organizational level. Making the understanding about crucial attributes explicit, the nurse may receive confirmation and recognition of crucial attributes for ethical care in order to move toward an ethical care.

  3. 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

  4. Optimal Couple Projections for Domain Adaptive Sparse Representation-based Classification.

    Science.gov (United States)

    Zhang, Guoqing; Sun, Huaijiang; Porikli, Fatih; Liu, Yazhou; Sun, Quansen

    2017-08-29

    In recent years, sparse representation based classification (SRC) is one of the most successful methods and has been shown impressive performance in various classification tasks. However, when the training data has a different distribution than the testing data, the learned sparse representation may not be optimal, and the performance of SRC will be degraded significantly. To address this problem, in this paper, we propose an optimal couple projections for domain-adaptive sparse representation-based classification (OCPD-SRC) method, in which the discriminative features of data in the two domains are simultaneously learned with the dictionary that can succinctly represent the training and testing data in the projected space. OCPD-SRC is designed based on the decision rule of SRC, with the objective to learn coupled projection matrices and a common discriminative dictionary such that the between-class sparse reconstruction residuals of data from both domains are maximized, and the within-class sparse reconstruction residuals of data are minimized in the projected low-dimensional space. Thus, the resulting representations can well fit SRC and simultaneously have a better discriminant ability. In addition, our method can be easily extended to multiple domains and can be kernelized to deal with the nonlinear structure of data. The optimal solution for the proposed method can be efficiently obtained following the alternative optimization method. Extensive experimental results on a series of benchmark databases show that our method is better or comparable to many state-of-the-art methods.

  5. Immobilization of acid digestion residue

    International Nuclear Information System (INIS)

    Greenhalgh, W.O.; Allen, C.R.

    1983-01-01

    Acid digestion treatment of nuclear waste is similar to incineration processes and results in the bulk of the waste being reduced in volume and weight to some residual solids termed residue. The residue is composed of various dispersible solid materials and typically contains the resultant radioactivity from the waste. This report describes the immobilization of the residue in portland cement, borosilicate glass, and some other waste forms. Diagrams showing the cement and glass virtification parameters are included in the report as well as process steps and candidate waste product forms. Cement immobilization is simplest and probably least expensive; glass vitrification exhibits the best overall volume reduction ratio

  6. PheVI:09 (Phe6.44) as a sliding microswitch in seven-transmembrane (7TM) G protein-coupled receptor activation

    DEFF Research Database (Denmark)

    Valentin-Hansen, Louise; Holst, Birgitte; Frimurer, Thomas M

    2012-01-01

    In seven-transmembrane (7TM), G protein-coupled receptors, highly conserved residues function as microswitches, which alternate between different conformations and interaction partners in an extended allosteric interface between the transmembrane segments performing the large scale conformational......-V into a tight pocket generated by five hydrophobic residues protruding from TM-III and TM-V. Of these, the residue in position III:16 (3.40) (often an Ile or Val) appears to function as a barrier or gate for the transition between inactive and active conformation. Mutational analysis showed that PheVI:09...... an aromatic microswitch that stabilizes the active, outward tilted conformation of TM-VI relative to TM-III by sliding into a tight hydrophobic pocket between TM-III and TM-V and that the hydrophobic residue in position III:16 constitutes a gate for this transition....

  7. A crucial step in cell division identified | Center for Cancer Research

    Science.gov (United States)

    When cell division doesn’t go according to plan, the resulting daughter cells can become unstable or even cancerous. A team of CCR investigators has now discovered a crucial step required for normal cell division to occur. Read more...

  8. Critical lysine residues of Klf4 required for protein stabilization and degradation

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Key-Hwan; Kim, So-Ra; Ramakrishna, Suresh; Baek, Kwang-Hyun, E-mail: baek@cha.ac.kr

    2014-01-24

    Highlights: • Klf4 undergoes the 26S proteasomal degradation by ubiquitination on its multiple lysine residues. • Essential Klf4 ubiquitination sites are accumulated between 190–263 amino acids. • A mutation of lysine at 232 on Klf4 elongates protein turnover. • Klf4 mutants dramatically suppress p53 expression both under normal and UV irradiated conditions. - Abstract: The transcription factor, Krüppel-like factor 4 (Klf4) plays a crucial role in generating induced pluripotent stem cells (iPSCs). As the ubiquitination and degradation of the Klf4 protein have been suggested to play an important role in its function, the identification of specific lysine sites that are responsible for protein degradation is of prime interest to improve protein stability and function. However, the molecular mechanism regulating proteasomal degradation of the Klf4 is poorly understood. In this study, both the analysis of Klf4 ubiquitination sites using several Klf4 deletion fragments and bioinformatics predictions showed that the lysine sites which are signaling for Klf4 protein degradation lie in its N-terminal domain (aa 1–296). The results also showed that Lys32, 52, 232, and 252 of Klf4 are responsible for the proteolysis of the Klf4 protein. These results suggest that Klf4 undergoes proteasomal degradation and that these lysine residues are critical for Klf4 ubiquitination.

  9. Prediction of microstructure, residual stress, and deformation in laser powder bed fusion process

    Science.gov (United States)

    Yang, Y. P.; Jamshidinia, M.; Boulware, P.; Kelly, S. M.

    2017-12-01

    Laser powder bed fusion (L-PBF) process has been investigated significantly to build production parts with a complex shape. Modeling tools, which can be used in a part level, are essential to allow engineers to fine tune the shape design and process parameters for additive manufacturing. This study focuses on developing modeling methods to predict microstructure, hardness, residual stress, and deformation in large L-PBF built parts. A transient sequentially coupled thermal and metallurgical analysis method was developed to predict microstructure and hardness on L-PBF built high-strength, low-alloy steel parts. A moving heat-source model was used in this analysis to accurately predict the temperature history. A kinetics based model which was developed to predict microstructure in the heat-affected zone of a welded joint was extended to predict the microstructure and hardness in an L-PBF build by inputting the predicted temperature history. The tempering effect resulting from the following built layers on the current-layer microstructural phases were modeled, which is the key to predict the final hardness correctly. It was also found that the top layers of a build part have higher hardness because of the lack of the tempering effect. A sequentially coupled thermal and mechanical analysis method was developed to predict residual stress and deformation for an L-PBF build part. It was found that a line-heating model is not suitable for analyzing a large L-PBF built part. The layer heating method is a potential method for analyzing a large L-PBF built part. The experiment was conducted to validate the model predictions.

  10. Prediction of microstructure, residual stress, and deformation in laser powder bed fusion process

    Science.gov (United States)

    Yang, Y. P.; Jamshidinia, M.; Boulware, P.; Kelly, S. M.

    2018-05-01

    Laser powder bed fusion (L-PBF) process has been investigated significantly to build production parts with a complex shape. Modeling tools, which can be used in a part level, are essential to allow engineers to fine tune the shape design and process parameters for additive manufacturing. This study focuses on developing modeling methods to predict microstructure, hardness, residual stress, and deformation in large L-PBF built parts. A transient sequentially coupled thermal and metallurgical analysis method was developed to predict microstructure and hardness on L-PBF built high-strength, low-alloy steel parts. A moving heat-source model was used in this analysis to accurately predict the temperature history. A kinetics based model which was developed to predict microstructure in the heat-affected zone of a welded joint was extended to predict the microstructure and hardness in an L-PBF build by inputting the predicted temperature history. The tempering effect resulting from the following built layers on the current-layer microstructural phases were modeled, which is the key to predict the final hardness correctly. It was also found that the top layers of a build part have higher hardness because of the lack of the tempering effect. A sequentially coupled thermal and mechanical analysis method was developed to predict residual stress and deformation for an L-PBF build part. It was found that a line-heating model is not suitable for analyzing a large L-PBF built part. The layer heating method is a potential method for analyzing a large L-PBF built part. The experiment was conducted to validate the model predictions.

  11. Persistence of α-cypermethrin residues in milk of lactating donkeys (Equus asinus) using UHPLC-MS/MS.

    Science.gov (United States)

    Chirollo, Claudia; Radovnikovic, Anita; Veneziano, Vincenzo; Marrone, Raffaele; Pepe, Tiziana; Danaher, Martin; Anastasio, Aniello

    2014-01-01

    The aim of this study was to measure the persistence of residues of the pyrethroid insecticide α-cypermethrin (ACYP) in the milk of lactating donkeys following pour-on treatment. Milk was collected from animals (n = 7) before the treatment and at 12, 24, 36, 48, 60, 72 and 84 h post-treatment. The last sampling was taken 7 days post-treatment (168 h). Milk samples were analysed by ultra-high-performance liquid chromatography coupled to tandem mass spectrometry (UHPLC-MS/MS). The analytical method was validated following requirements of Commission Decision 2002/657/EC. All samples showed levels of ACYP below the maximum residue limit (MRL) of 20 μg kg(-1) established for bovine milk (Commission Regulation (EU) No. 37/2010). The results demonstrate that there is minimal partitioning of ACYP into milk in lactating donkeys from pour-on treatment.

  12. Optimisation of process parameters in friction stir welding based on residual stress analysis: a feasibility study

    DEFF Research Database (Denmark)

    Tutum, Cem Celal; Hattel, Jesper Henri

    2010-01-01

    The present paper considers the optimisation of process parameters in friction stir welding (FSW). More specifically, the choices of rotational speed and traverse welding speed have been investigated using genetic algorithms. The welding process is simulated in a transient, two......-dimensional sequentially coupled thermomechanical model in ANSYS. This model is then used in an optimisation case where the two objectives are the minimisation of the peak residual stresses and the maximisation of the welding speed. The results indicate that the objectives for the considered case are conflicting......, and this is presented as a Pareto optimal front. Moreover, a higher welding speed for a fixed rotational speed results, in general, in slightly higher stress levels in the tension zone, whereas a higher rotational speed for a fixed welding speed yields somewhat lower peak residual stress, however, a wider tension zone...

  13. ICRH antenna S-matrix measurements and plasma coupling characterisation at JET

    Science.gov (United States)

    Monakhov, I.; Jacquet, P.; Blackman, T.; Bobkov, V.; Dumortier, P.; Helou, W.; Lerche, E.; Kirov, K.; Milanesio, D.; Maggiora, R.; Noble, C.; Contributors, JET

    2018-04-01

    The paper is dedicated to the characterisation of multi-strap ICRH antenna coupling to plasma. Relevance of traditional concept of coupling resistance to antennas with mutually coupled straps is revised and the importance of antenna port excitation consistency for application of the concept is highlighted. A method of antenna S-matrix measurement in presence of plasma is discussed allowing deeper insight into the problem of antenna-plasma coupling. The method is based entirely on the RF plant hardware and control facilities available at JET and it involves application of variable phasing between the antenna straps during the RF plant operations at  >100 kW. Unlike traditional techniques relying on low-power (~10 mW) network analysers, the applied antenna voltage amplitudes are relevant to practical conditions of ICRH operations; crucially, they are high enough to minimise possible effects of antenna loading non-linearity due to the RF sheath effects and other phenomena which could affect low-power measurements. The method has been successfully applied at JET to conventional 4-port ICRH antennas energised at frequencies of 33 MHz, 42 MHz and 51 MHz during L-mode plasma discharges while different gas injection modules (GIMs) were used to maintain comparable plasma densities during the pulses. The S-matrix assessment and its subsequent processing yielding ‘global’ antenna coupling resistances in conditions of equalised port maximum voltages allowed consistent description of antenna coupling to plasma at different strap phasing, operational frequencies and applied GIMs. Comprehensive experimental characterisation of mutually coupled antenna straps in presence of plasma also provided a unique opportunity for in-depth verification of TOPICA computer simulations.

  14. Residual stress characterization of steel TIG welds by neutron diffraction and by residual magnetic stray field mappings

    Science.gov (United States)

    Stegemann, Robert; Cabeza, Sandra; Lyamkin, Viktor; Bruno, Giovanni; Pittner, Andreas; Wimpory, Robert; Boin, Mirko; Kreutzbruck, Marc

    2017-03-01

    The residual stress distribution of tungsten inert gas welded S235JRC+C plates was determined by means of neutron diffraction (ND). Large longitudinal residual stresses with maxima around 600 MPa were found. With these results as reference, the evaluation of residual stress with high spatial resolution GMR (giant magneto resistance) sensors was discussed. The experiments performed indicate a correlation between changes in residual stresses (ND) and the normal component of local residual magnetic stray fields (GMR). Spatial variations in the magnetic field strength perpendicular to the welds are in the order of the magnetic field of the earth.

  15. Radioactive material in residues of health services residues

    International Nuclear Information System (INIS)

    Costa R, A. Jr.; Recio, J.C.

    2006-01-01

    The work presents the operational actions developed by the one organ responsible regulator for the control of the material use radioactive in Brazil. Starting from the appearance of coming radioactive material of hospitals and clinical with services of nuclear medicine, material that that is picked up and transported in specific trucks for the gathering of residuals of hospital origin, and guided one it manufactures of treatment of residuals of services of health, where they suffer radiological monitoring before to guide them for final deposition in sanitary embankment, in the city of Sao Paulo, Brazil. The appearance of this radioactive material exposes a possible one violation of the norms that govern the procedures and practices in that sector in the country. (Author)

  16. PKM2-dependent metabolic reprogramming in CD4+ T cells is crucial for hyperhomocysteinemia-accelerated atherosclerosis.

    Science.gov (United States)

    Lü, Silin; Deng, Jiacheng; Liu, Huiying; Liu, Bo; Yang, Juan; Miao, Yutong; Li, Jing; Wang, Nan; Jiang, Changtao; Xu, Qingbo; Wang, Xian; Feng, Juan

    2018-06-01

    Inflammation mediated by activated T cells plays an important role in the initiation and progression of hyperhomocysteinemia (HHcy)-accelerated atherosclerosis in ApoE -/- mice. Homocysteine (Hcy) activates T cells to secrete proinflammatory cytokines, especially interferon (IFN)-γ; however, the precise mechanisms remain unclear. Metabolic reprogramming is critical for T cell inflammatory activation and effector functions. Our previous study demonstrated that Hcy regulates T cell mitochondrial reprogramming by enhancing endoplasmic reticulum (ER)-mitochondria coupling. In this study, we further explored the important role of glycolysis-mediated metabolic reprogramming in Hcy-activated CD4 + T cells. Mechanistically, Hcy-activated CD4 + T cell increased the protein expression and activity of pyruvate kinase muscle isozyme 2 (PKM2), the final rate-limiting enzyme in glycolysis, via the phosphatidylinositol 3-kinase/AKT/mechanistic target of rapamycin signaling pathway. Knockdown of PKM2 by small interfering RNA reduced Hcy-induced CD4 + T cell IFN-γ secretion. Furthermore, we generated T cell-specific PKM2 knockout mice by crossing LckCre transgenic mice with PKM2 fl/fl mice and observed that Hcy-induced glycolysis and oxidative phosphorylation were both diminished in PKM2-deficient CD4 + T cells with reduced glucose and lipid metabolites, and subsequently reduced IFN-γ secretion. T cell-depleted apolipoprotein E-deficient (ApoE -/- ) mice adoptively transferred with PKM2-deficient CD4 + T cells, compared to mice transferred with control cells, showed significantly decreased HHcy-accelerated early atherosclerotic lesion formation. In conclusion, this work indicates that the PKM2-dependent glycolytic-lipogenic axis, a novel mechanism of metabolic regulation, is crucial for HHcy-induced CD4 + T cell activation to accelerate early atherosclerosis in ApoE -/- mice. Metabolic reprogramming is crucial for Hcy-induced CD4 + T cell inflammatory activation. Hcy activates

  17. Residue-Specific Side-Chain Polymorphisms via Particle Belief Propagation.

    Science.gov (United States)

    Ghoraie, Laleh Soltan; Burkowski, Forbes; Li, Shuai Cheng; Zhu, Mu

    2014-01-01

    Protein side chains populate diverse conformational ensembles in crystals. Despite much evidence that there is widespread conformational polymorphism in protein side chains, most of the X-ray crystallography data are modeled by single conformations in the Protein Data Bank. The ability to extract or to predict these conformational polymorphisms is of crucial importance, as it facilitates deeper understanding of protein dynamics and functionality. In this paper, we describe a computational strategy capable of predicting side-chain polymorphisms. Our approach extends a particular class of algorithms for side-chain prediction by modeling the side-chain dihedral angles more appropriately as continuous rather than discrete variables. Employing a new inferential technique known as particle belief propagation, we predict residue-specific distributions that encode information about side-chain polymorphisms. Our predicted polymorphisms are in relatively close agreement with results from a state-of-the-art approach based on X-ray crystallography data, which characterizes the conformational polymorphisms of side chains using electron density information, and has successfully discovered previously unmodeled conformations.

  18. Statistical inference on residual life

    CERN Document Server

    Jeong, Jong-Hyeon

    2014-01-01

    This is a monograph on the concept of residual life, which is an alternative summary measure of time-to-event data, or survival data. The mean residual life has been used for many years under the name of life expectancy, so it is a natural concept for summarizing survival or reliability data. It is also more interpretable than the popular hazard function, especially for communications between patients and physicians regarding the efficacy of a new drug in the medical field. This book reviews existing statistical methods to infer the residual life distribution. The review and comparison includes existing inference methods for mean and median, or quantile, residual life analysis through medical data examples. The concept of the residual life is also extended to competing risks analysis. The targeted audience includes biostatisticians, graduate students, and PhD (bio)statisticians. Knowledge in survival analysis at an introductory graduate level is advisable prior to reading this book.

  19. Conversations cruciales des outils pour s'exprimer quand les enjeux sont de taille

    CERN Document Server

    Patterson, Kerry; McMillan, Ron; Switzler, Al; Covey, Stephen R

    2009-01-01

    Quand on parle de " conversations cruciales ", il nous vient spontanément des images de présidents, d'empereurs et de Premiers ministres assis autour d'une table massive en train de débattre de l'avenir du monde. Les conversations dont parle cet ouvrage ne sont pas moins cruciales, nous concernent tous et peuvent survenir à n'importe quel moment dans notre vie quotidienne. Une discussion houleuse avec le patron, une dispute violente avec un collègue ou un client, un mot de trop adressé à notre conjoint, etc. Une conversation devient cruciale quand : les opinions en jeu sont opposées ; les enjeux sont importants ; les émotions sont fortes. Ce livre vous aide à vous exprimer habilement quand les enjeux sont de taille. Il vous explique comment atteindre le but que vous vous êtes fixé en usant des meilleures techniques et en ouvrant le chemin du dialogue. Il vous fournit les outils pour gérer les conversations les plus difficiles et les plus importantes de votre vie.

  20. Vanadium removal and recovery from bauxite residue leachates by ion exchange.

    Science.gov (United States)

    Gomes, Helena I; Jones, Ashley; Rogerson, Mike; Burke, Ian T; Mayes, William M

    2016-11-01

    Bauxite residue is an important by-product of the alumina industry, and current management practices do not allow their full valorisation, especially with regard to the recovery of critical metals. This work aims to test the efficiency of ion exchange resins for vanadium (V) removal and recovery from bauxite residue leachates at alkaline pH (11.5 and 13). As an environmental pollutant, removal of V from leachates may be an obligation of bauxite residue disposal areas (BRDA) long-term management requirements. Vanadium removal from the leachate can be coupled with the recovery, and potentially can be used to offset long-term legacy treatment costs in legacy sites. Kinetics studies were performed to understand the adsorption process. The rate kinetics for the V adsorption was consistent with the pseudo-first-order kinetic model, with a higher adsorption rate for pH 11.5 (1.2 min -1 ). Adsorption isotherm data fitted better to Freundlich equations than to the Langmuir model. The maximum adsorption capacity (Langmuir value q max ) was greatest for pH 13 (9.8 mg V g -1 resin). In column tests, breakthrough was reached at 70 bed volumes with the red mud leachate at pH 13, while no breakthrough was achieved with the effluent at pH 11.5. In regeneration, 42 and 76 % of V were eluted from the resin with 2 M NaOH from the red mud leachate at pH 13 and 11.5, respectively. Further optimization will be needed to upscale the treatment.

  1. 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...

  2. Large Yukawa-coupling impact on H+ decay in the MSSM

    International Nuclear Information System (INIS)

    Bartl, A.; Hidaka, K.; Kizukuri, Y.; Kon, T.; Majerotto, W.

    1994-01-01

    The decay of the charged Higgs boson H + is comprehensively studied in the minimal supersymmetric model. We find that the supersymmetric mode (t tilde)(b tilde and bar) can overwhelmingly dominate the H + decay in a substantially wide (and still allowed) range of the model parameters due to the large t- and b- quark Yukawa couplings and the large t tilde- and b tilde- mixings and that this mode has very distinctive signatures compared to the 'conventional' dominant modes τ + ν τ and tb-bar. This could shed a crucial impact on the H + search at future colliders. (author)

  3. Dynamics of interacting qubits coupled to a common bath: Non-Markovian quantum-state-diffusion approach

    International Nuclear Information System (INIS)

    Zhao Xinyu; Jing Jun; Corn, Brittany; Yu Ting

    2011-01-01

    Non-Markovian dynamics is studied for two interacting qubits strongly coupled to a dissipative bosonic environment. We derive a non-Markovian quantum-state-diffusion (QSD) equation for the coupled two-qubit system without any approximations, and in particular, without the Markov approximation. As an application and illustration of our derived time-local QSD equation, we investigate the temporal behavior of quantum coherence dynamics. In particular, we find a strongly non-Markovian regime where entanglement generation is significantly modulated by the environmental memory. Additionally, we study residual entanglement in the steady state by analyzing the steady-state solution of the QSD equation. Finally, we discuss an approximate QSD equation.

  4. S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments

    Czech Academy of Sciences Publication Activity Database

    Novák, P.; Žídek, L.; Motáčková, V.; Padrta, P.; Švenková, Alžběta; Nuzillard, J.-M.; Krásný, Libor; Sklenář, V.

    2010-01-01

    Roč. 46, č. 2 (2010), s. 191-197 ISSN 0925-2738 R&D Projects: GA ČR GA204/09/0583 Institutional research plan: CEZ:AV0Z50200510 Keywords : Software * Sparky * Residual dipolar couplings Subject RIV: EE - Microbiology, Virology Impact factor: 3.047, year: 2010

  5. Functional validation of Ca2+-binding residues from the crystal structure of the BK ion channel.

    Science.gov (United States)

    Kshatri, Aravind S; Gonzalez-Hernandez, Alberto J; Giraldez, Teresa

    2018-04-01

    BK channels are dually regulated by voltage and Ca 2+ , providing a cellular mechanism to couple electrical and chemical signalling. Intracellular Ca 2+ concentration is sensed by a large cytoplasmic region in the channel known as "gating ring", which is formed by four tandems of regulator of conductance for K + (RCK1 and RCK2) domains. The recent crystal structure of the full-length BK channel from Aplysia californica has provided new information about the residues involved in Ca 2+ coordination at the high-affinity binding sites located in the RCK1 and RCK2 domains, as well as their cooperativity. Some of these residues have not been previously studied in the human BK channel. In this work we have investigated, through site directed mutagenesis and electrophysiology, the effects of these residues on channel activation by voltage and Ca 2+ . Our results demonstrate that the side chains of two non-conserved residues proposed to coordinate Ca 2+ in the A. californica structure (G523 and E591) have no apparent functional role in the human BK Ca 2+ sensing mechanism. Consistent with the crystal structure, our data indicate that in the human channel the conserved residue R514 participates in Ca 2+ coordination in the RCK1 binding site. Additionally, this study provides functional evidence indicating that R514 also interacts with residues E902 and Y904 connected to the Ca 2+ binding site in RCK2. Interestingly, it has been proposed that this interaction may constitute a structural correlate underlying the cooperative interactions between the two high-affinity Ca 2+ binding sites regulating the Ca 2+ dependent gating of the BK channel. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Residue analysis of four diacylhydrazine insecticides in fruits and vegetables by Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) method using ultra-performance liquid chromatography coupled to tandem mass spectrometry.

    Science.gov (United States)

    Liu, Xingang; Xu, Jun; Dong, Fengshou; Li, Yuanbo; Song, Wenchen; Zheng, Yongquan

    2011-08-01

    The new analytical method using Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) procedure for simultaneous determination of diacylhydrazine insecticide residues in fruits and vegetables was developed using ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS/MS). The four insecticides (tebufenozide, methoxfenozide, chromafenozide, and halofenozide) were extracted from six fruit and vegetable matrices using acetonitrile and subsequently cleaned up using primary secondary amine (PSA) or octadecylsilane (C18) as sorbent prior to UPLC-MS/MS analysis. The determination of the target compounds was achieved in less than 3.0 min using an electrospray ionization source in positive mode (ESI+) for tebufenozide, methoxfenozide, and halofenozide and in negative mode (ESI-) for chromafenozide. The limits of detection were below 0.6 μg kg(-1), while the limit of quantification did not exceed 2 μg kg(-1) in different matrices. The QuEChERS procedure by using two sorbents (PSA and C18) and the matrix-matched standards gave satisfactory recoveries and relative standard deviation (RSD) values in different matrices at four spiked levels (0.01, 0.05, 0.1, and 1 mg kg(-1)). The overall average recoveries for this method in apple, grape, cucumber, tomato, cabbage, and spinach at four levels ranged from 74.2% to 112.5% with RSDs in the range of 1.4-13.8% (n = 5) for all analytes. This study provides a theoretical basis for China to draw up maximum residue limits and analytical method for diacylhydrazine insecticide in vegetables and fruits.

  7. Residual Structures in Latent Growth Curve Modeling

    Science.gov (United States)

    Grimm, Kevin J.; Widaman, Keith F.

    2010-01-01

    Several alternatives are available for specifying the residual structure in latent growth curve modeling. Two specifications involve uncorrelated residuals and represent the most commonly used residual structures. The first, building on repeated measures analysis of variance and common specifications in multilevel models, forces residual variances…

  8. Screening and confirmation criteria for hormone residue analysis using liquid chromatography accurate mass time-of-flight, Fourier transform ion cyclotron resonance and orbitrap mass spectrometry techniques

    NARCIS (Netherlands)

    Nielen, M.W.F.; Engelen, M.C. van; Zuiderent, R.; Ramaker, R.

    2007-01-01

    An emerging trend is recognised in hormone and veterinary drug residue analysis from liquid chromatography tandem mass spectrometry (LC/MS/MS) based screening and confirmation towards accurate mass alternatives such as LC coupled with time-of-flight (TOF), Fourier transform ion cyclotron resonance

  9. Catheter for Cleaning Surgical Optics During Surgical Procedures: A Possible Solution for Residue Buildup and Fogging in Video Surgery.

    Science.gov (United States)

    de Abreu, Igor Renato Louro Bruno; Abrão, Fernando Conrado; Silva, Alessandra Rodrigues; Corrêa, Larissa Teresa Cirera; Younes, Riad Nain

    2015-05-01

    Currently, there is a tendency to perform surgical procedures via laparoscopic or thoracoscopic access. However, even with the impressive technological advancement in surgical materials, such as improvement in quality of monitors, light sources, and optical fibers, surgeons have to face simple problems that can greatly hinder surgery by video. One is the formation of "fog" or residue buildup on the lens, causing decreased visibility. Intracavitary techniques for cleaning surgical optics and preventing fog formation have been described; however, some of these techniques employ the use of expensive and complex devices designed solely for this purpose. Moreover, these techniques allow the cleaning of surgical optics when they becomes dirty, which does not prevent the accumulation of residue in the optics. To solve this problem we have designed a device that allows cleaning the optics with no surgical stops and prevents the fogging and residue accumulation. The objective of this study is to evaluate through experimental testing the effectiveness of a simple device that prevents the accumulation of residue and fogging of optics used in surgical procedures performed through thoracoscopic or laparoscopic access. Ex-vivo experiments were performed simulating the conditions of residue presence in surgical optics during a video surgery. The experiment consists in immersing the optics and catheter set connected to the IV line with crystalloid solution in three types of materials: blood, blood plus fat solution, and 200 mL of distilled water and 1 vial of methylene blue. The optics coupled to the device were immersed in 200 mL of each type of residue, repeating each immersion 10 times for each distinct residue for both thirty and zero degrees optics, totaling 420 experiments. A success rate of 98.1% was observed after the experiments, in these cases the device was able to clean and prevent the residue accumulation in the optics.

  10. Computing Decoupled Residuals for Compact Disc Players

    DEFF Research Database (Denmark)

    Odgaard, Peter Fogh; Stoustrup, Jakob; Andersen, Palle

    2006-01-01

    a pair of residuals generated by Compact Disc Player. However, these residuals depend on the performance of position servos in the Compact Disc Player. In other publications of the same authors a pair of decoupled residuals is derived. However, the computation of these alternative residuals has been...

  11. Characterisation and management of concrete grinding residuals.

    Science.gov (United States)

    Kluge, Matt; Gupta, Nautasha; Watts, Ben; Chadik, Paul A; Ferraro, Christopher; Townsend, Timothy G

    2018-02-01

    Concrete grinding residue is the waste product resulting from the grinding, cutting, and resurfacing of concrete pavement. Potential beneficial applications for concrete grinding residue include use as a soil amendment and as a construction material, including as an additive to Portland cement concrete. Concrete grinding residue exhibits a high pH, and though not hazardous, it is sufficiently elevated that precautions need to be taken around aquatic ecosystems. Best management practices and state regulations focus on reducing the impact on such aquatic environment. Heavy metals are present in concrete grinding residue, but concentrations are of the same magnitude as typically recycled concrete residuals. The chemical composition of concrete grinding residue makes it a useful product for some soil amendment purposes at appropriate land application rates. The presence of unreacted concrete in concrete grinding residue was examined for potential use as partial replacement of cement in new concrete. Testing of Florida concrete grinding residue revealed no dramatic reactivity or improvement in mortar strength.

  12. Residual symptoms and functioning in depression, does the type of residual symptom matter? A post-hoc analysis

    Directory of Open Access Journals (Sweden)

    Romera Irene

    2013-02-01

    Full Text Available Abstract Background The degrees to which residual symptoms in major depressive disorder (MDD adversely affect patient functioning is not known. This post-hoc analysis explored the association between different residual symptoms and patient functioning. Methods Patients with MDD who responded (≥50% on the 17-item Hamilton Rating Scale for Depression; HAMD-17 after 3 months of treatment (624/930 were included. Residual core mood-symptoms (HAMD-17 core symptom subscale ≥1, residual insomnia-symptoms (HAMD-17 sleep subscale ≥1, residual anxiety-symptoms (HAMD-17-anxiety subscale ≥1, residual somatic-symptoms (HAMD-17 Item 13 ≥1, pain (Visual Analogue Scale ≥30, and functioning were assessed after 3 months treatment. A stepwise logistic regression model with normal functioning (Social and Occupational Functioning Assessment Scale ≥80 as the dependent variable was used. Results After 3 months, 59.5% of patients (371/624 achieved normal functioning and 66.0% (412/624 were in remission. Residual symptom prevalence was: core mood symptoms 72%; insomnia 63%; anxiety 78%; and somatic symptoms 41%. Pain reported in 18%. Factors associated with normal functioning were absence of core mood symptoms (odds ratio [OR] 8.7; 95% confidence interval [CI], 4.6–16.7, absence of insomnia symptoms (OR 1.8; 95% CI, 1.2–2.7, episode length (4–24 weeks vs. ≥24 weeks [OR 2.0; 95% CI, 1.1–3.6] and better baseline functioning (OR 1.0; 95% CI, 1.0–1.1. A significant interaction between residual anxiety symptoms and pain was found (p = 0.0080. Conclusions Different residual symptoms are associated to different degrees with patient functioning. To achieve normal functioning, specific residual symptoms domains might be targeted for treatment.

  13. Improved validation of IDP ensembles by one-bond Cα–Hα scalar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Gapsys, Vytautas [Max Planck Institute for Biophysical Chemistry, Computational Biomolecular Dynamics Group (Germany); Narayanan, Raghavendran L.; Xiang, ShengQi [Max Planck Institute for Biophysical Chemistry, Department for NMR-Based Structural Biology (Germany); Groot, Bert L. de [Max Planck Institute for Biophysical Chemistry, Computational Biomolecular Dynamics Group (Germany); Zweckstetter, Markus, E-mail: markus.zweckstetter@dzne.de [Max Planck Institute for Biophysical Chemistry, Department for NMR-Based Structural Biology (Germany)

    2015-11-15

    Intrinsically disordered proteins (IDPs) are best described by ensembles of conformations and a variety of approaches have been developed to determine IDP ensembles. Because of the large number of conformations, however, cross-validation of the determined ensembles by independent experimental data is crucial. The {sup 1}J{sub CαHα} coupling constant is particularly suited for cross-validation, because it has a large magnitude and mostly depends on the often less accessible dihedral angle ψ. Here, we reinvestigated the connection between {sup 1}J{sub CαHα} values and protein backbone dihedral angles. We show that accurate amino-acid specific random coil values of the {sup 1}J{sub CαHα} coupling constant, in combination with a reparameterized empirical Karplus-type equation, allow for reliable cross-validation of molecular ensembles of IDPs.

  14. A Colorimetric Chemodosimeter for Pd(II): A Method for Detecting Residual Palladium in Cross-Coupling Reactions

    Science.gov (United States)

    Houk, Ronald J. T.; Wallace, Karl J.; Hewage, Himali S.; Anslyn, Eric V.

    2008-01-01

    A colorimetric chemodosimeter (SQ1) for the detection of trace palladium salts in cross-coupling reactions mediated by palladium is described. Decolorization of SQ1 is affected by nucleophilic attack of ethanethiol in basic DMSO solutions. Thiol addition is determined to have an equilibrium constant (Keq) of 2.9 × 106 M-1, with a large entropic and modest enthalpic driving force. This unusual result is attributed to solvent effects arising from a strong coordinative interaction between DMSO and the parent squaraine. Palladium detection is achieved through thiol scavenging from the SQ1-ethanethiol complex leading to a color “turn-on” of the parent squaraine. It was found that untreated samples obtained directly from Suzuki couplings showed no response to the assay. However, treatment of the samples with aqueous nitric acid generates a uniform Pd(NO3)2 species, which gives an appropriate response. “Naked-eye” detection of Pd(NO3)2 was estimated to be as low as 0.5 ppm in solution, and instrument-based detection was tested as low as 100 ppb. The average error over the working range of the assay was determined to be 7%. PMID:19122841

  15. A nonlinear magneto-thermo-elastic coupled hysteretic constitutive model for magnetostrictive alloys

    International Nuclear Information System (INIS)

    Jin Ke; Kou Yong; Zheng Xiaojing

    2012-01-01

    This paper presents a general hysteretic constitutive law of nonlinear magneto-thermo-elastic coupling for magnetostrictive alloys. The model considered here is thermodynamically motivated and based on the Gibbs free energy function. A nonlinear part of the elastic strain arising from magnetic domain rotation induced by the pre-stress is taken into account. Furthermore, the movement of the domain walls is incorporated to describe hysteresis based on Jiles–Atherton's model. Then a set of closed and analytical expressions of the constitutive law for the magnetostrictive rods and films are obtained, and the parameters appearing in the model can be determined by those measurable experiments in mechanics and physics. Comparing this model with other existing models in this field, the quantitative results show that the relationships obtained here are more effective to describe the effects of the pre-stress or in-plane residual stress and ambient temperature on the magnetization or the magnetostriction hysteresis loops. - Highlights: ► A general hysteretic constitutive law of nonlinear magneto-thermo-elastic coupling for magnetostrictive materials is proposed. ► Model is thermodynamically motivated and the reversible magnetic domain rotation and irreversible domain wall motion are taken. ► The predictions are in good accordance with the experimental data including both rods and films. ► Magnetostrictive alloys are sensitive to environment temperature and pre-stress or residual stress.

  16. Residual stresses around Vickers indents

    International Nuclear Information System (INIS)

    Pajares, A.; Guiberteau, F.; Steinbrech, R.W.

    1995-01-01

    The residual stresses generated by Vickers indentation in brittle materials and their changes due to annealing and surface removal were studied in 4 mol% yttria partially stabilized zirconia (4Y-PSZ). Three experimental methods to gain information about the residual stress field were applied: (i) crack profile measurements based on serial sectioning, (ii) controlled crack propagation in post indentation bending tests and (iii) double indentation tests with smaller secondary indents located around a larger primary impression. Three zones of different residual stress behavior are deduced from the experiments. Beneath the impression a crack free spherical zone of high hydrostatic stresses exists. This core zone is followed by a transition regime where indentation cracks develop but still experience hydrostatic stresses. Finally, in an outward third zone, the crack contour is entirely governed by the tensile residual stress intensity (elastically deformed region). Annealing and surface removal reduce this crack driving stress intensity. The specific changes of the residual stresses due to the post indentation treatments are described and discussed in detail for the three zones

  17. Minimization of zirconium chlorinator residues

    International Nuclear Information System (INIS)

    Green, G.K.; Harbuck, D.D.

    1995-01-01

    Zirconium chlorinator residues contain an array of rare earths, scandium, unreacted coke, and radioactive thorium and radium. Because of the radioactivity, the residues must be disposed in special waste containment facilities. As these sites become more congested, and with stricter environmental regulations, disposal of large volumes of wastes may become more difficult. To reduce the mass of disposed material, the US Bureau of Mines (USBM) developed technology to recover rare earths, thorium and radium, and unreacted coke from these residues. This technology employs an HCl leach to solubilize over 99% of the scandium and thorium, and over 90% of the rare earths. The leach liquor is processed through several solvent extraction stages to selectively recover scandium, thorium, and rare earths. The leach residue is further leached with an organic acid to solubilize radium, thus allowing unreacted coke to be recycled to the chlorinator. The thorium and radium waste products, which comprise only 2.1% of the original residue mass, can then be sent to the radioactive waste facility

  18. 9 CFR 311.39 - Biological residues.

    Science.gov (United States)

    2010-01-01

    ... 9 Animals and Animal Products 2 2010-01-01 2010-01-01 false Biological residues. 311.39 Section... Biological residues. Carcasses, organs, or other parts of carcasses of livestock shall be condemned if it is determined that they are adulterated because of the presence of any biological residues. ...

  19. Alternative SAIL-Trp for robust aromatic signal assignment and determination of the χ2 conformation by intra-residue NOEs

    International Nuclear Information System (INIS)

    Miyanoiri, Yohei; Takeda, Mitsuhiro; Jee, JunGoo; Ono, Akira M.; Okuma, Kosuke; Terauchi, Tsutomu; Kainosho, Masatsune

    2011-01-01

    Tryptophan (Trp) residues are frequently found in the hydrophobic cores of proteins, and therefore, their side-chain conformations, especially the precise locations of the bulky indole rings, are critical for determining structures by NMR. However, when analyzing [U– 13 C, 15 N]-proteins, the observation and assignment of the ring signals are often hampered by excessive overlaps and tight spin couplings. These difficulties have been greatly alleviated by using stereo-array isotope labeled (SAIL) proteins, which are composed of isotope-labeled amino acids optimized for unambiguous side-chain NMR assignment, exclusively through the 13 C– 13 C and 13 C– 1 H spin coupling networks (Kainosho et al. in Nature 440:52–57, 2006). In this paper, we propose an alternative type of SAIL-Trp with the [ζ2,ζ3- 2 H 2 ; δ1,ε3,η2- 13 C 3 ; ε1- 15 N]-indole ring ([ 12 C γ, 12 C ε2 ] SAIL-Trp), which provides a more robust way to correlate the 1 H β , 1 H α , and 1 H N to the 1 H δ1 and 1 H ε3 through the intra-residue NOEs. The assignment of the 1 H δ1 / 13 C δ1 and 1 H ε3 / 13 C ε3 signals can thus be transferred to the 1 H ε1 / 15 N ε1 and 1 H η2 / 13 C η2 signals, as with the previous type of SAIL-Trp, which has an extra 13 C at the C γ of the ring. By taking advantage of the stereospecific deuteration of one of the prochiral β-methylene protons, which was 1 H β2 in this experiment, one can determine the side-chain conformation of the Trp residue including the χ 2 angle, which is especially important for Trp residues, as they can adopt three preferred conformations. We demonstrated the usefulness of [ 12 C γ , 12 C ε2 ] SAIL-Trp for the 12 kDa DNA binding domain of mouse c-Myb protein (Myb-R2R3), which contains six Trp residues.

  20. Alternative SAIL-Trp for robust aromatic signal assignment and determination of the χ(2) conformation by intra-residue NOEs.

    Science.gov (United States)

    Miyanoiri, Yohei; Takeda, Mitsuhiro; Jee, JunGoo; Ono, Akira M; Okuma, Kosuke; Terauchi, Tsutomu; Kainosho, Masatsune

    2011-12-01

    Tryptophan (Trp) residues are frequently found in the hydrophobic cores of proteins, and therefore, their side-chain conformations, especially the precise locations of the bulky indole rings, are critical for determining structures by NMR. However, when analyzing [U-(13)C,(15)N]-proteins, the observation and assignment of the ring signals are often hampered by excessive overlaps and tight spin couplings. These difficulties have been greatly alleviated by using stereo-array isotope labeled (SAIL) proteins, which are composed of isotope-labeled amino acids optimized for unambiguous side-chain NMR assignment, exclusively through the (13)C-(13)C and (13)C-(1)H spin coupling networks (Kainosho et al. in Nature 440:52-57, 2006). In this paper, we propose an alternative type of SAIL-Trp with the [ζ2,ζ3-(2)H(2); δ1,ε3,η2-(13)C(3); ε1-(15)N]-indole ring ([(12)C (γ,) ( 12) C(ε2)] SAIL-Trp), which provides a more robust way to correlate the (1)H(β), (1)H(α), and (1)H(N) to the (1)H(δ1) and (1)H(ε3) through the intra-residue NOEs. The assignment of the (1)H(δ1)/(13)C(δ1) and (1)H(ε3)/(13)C(ε3) signals can thus be transferred to the (1)H(ε1)/(15)N(ε1) and (1)H(η2)/(13)C(η2) signals, as with the previous type of SAIL-Trp, which has an extra (13)C at the C(γ) of the ring. By taking advantage of the stereospecific deuteration of one of the prochiral β-methylene protons, which was (1)H(β2) in this experiment, one can determine the side-chain conformation of the Trp residue including the χ(2) angle, which is especially important for Trp residues, as they can adopt three preferred conformations. We demonstrated the usefulness of [(12)C(γ),(12)C(ε2)] SAIL-Trp for the 12 kDa DNA binding domain of mouse c-Myb protein (Myb-R2R3), which contains six Trp residues.

  1. Motivational antecedents to contraceptive method change following a pregnancy scare: a couple analysis.

    Science.gov (United States)

    Miller, W B; Pasta, D J

    2001-01-01

    In this study we develop and then test a couple model of contraceptive method choice decision-making following a pregnancy scare. The central constructs in our model are satisfaction with one's current method and confidence in the use of it. Downstream in the decision sequence, satisfaction and confidence predict desires and intentions to change methods. Upstream they are predicted by childbearing motivations, contraceptive attitudes, and the residual effects of the couples' previous method decisions. We collected data from 175 mostly unmarried and racially/ethnically diverse couples who were seeking pregnancy tests. We used LISREL and its latent variable capacity to estimate a structural equation model of the couple decision-making sequence leading to a change (or not) in contraceptive method. Results confirm most elements in our model and demonstrate a number of important cross-partner effects. Almost one-half of the sample had positive pregnancy tests and the base model fitted to this subsample indicates less accuracy in partner perception and greater influence of the female partner on method change decision-making. The introduction of some hypothesis-generating exogenous variables to our base couple model, together with some unexpected findings for the contraceptive attitude variables, suggest interesting questions that require further exploration.

  2. Numerical study of crucial parameters in tilt casting for titanium aluminides

    Directory of Open Access Journals (Sweden)

    Hong Wang

    2011-08-01

    Full Text Available Numerical modeling of the tilt casting process for TiAl alloys was investigated to achieve a tranquil mould filling and TiAl castings free of defects. Titanium alloys are very reactive in molten state, so they are widely melted in cold crucible, e.g. the Induction Skull Melting (ISM furnace. Then the crucible holding the molten metal together with the mould is rotated to transfer the metal into the mould — ISM+ tilt casting. This paper emphasizes the effect of crucial parameters on mould filling and solidification of the castings during tilt casting. All crucial parameters, such as rotation rate, rotation profile, venting, initial mould temperature, casting orientation, feeder design, change of radius in 'T' junction and mould insulation have been discussed using numerical modeling data. Simulations were performed using a 3D CFD code PHYSICA implemented with front tracking, heat transfer algorithms and a turbulence model (which accounts for an advancing solid front.

  3. Zγ production at NNLO including anomalous couplings

    Science.gov (United States)

    Campbell, John M.; Neumann, Tobias; Williams, Ciaran

    2017-11-01

    In this paper we present a next-to-next-to-leading order (NNLO) QCD calculation of the processes pp → l + l -γ and pp\\to ν \\overline{ν}γ that we have implemented in MCFM. Our calculation includes QCD corrections at NNLO both for the Standard Model (SM) and additionally in the presence of Zγγ and ZZγ anomalous couplings. We compare our implementation, obtained using the jettiness slicing approach, with a previous SM calculation and find broad agreement. Focusing on the sensitivity of our results to the slicing parameter, we show that using our setup we are able to compute NNLO cross sections with numerical uncertainties of about 0.1%, which is small compared to residual scale uncertainties of a few percent. We study potential improvements using two different jettiness definitions and the inclusion of power corrections. At √{s}=13 TeV we present phenomenological results and consider Zγ as a background to H → Zγ production. We find that, with typical cuts, the inclusion of NNLO corrections represents a small effect and loosens the extraction of limits on anomalous couplings by about 10%.

  4. Residual-stress measurements

    Energy Technology Data Exchange (ETDEWEB)

    Ezeilo, A N; Webster, G A [Imperial College, London (United Kingdom); Webster, P J [Salford Univ. (United Kingdom)

    1997-04-01

    Because neutrons can penetrate distances of up to 50 mm in most engineering materials, this makes them unique for establishing residual-stress distributions non-destructively. D1A is particularly suited for through-surface measurements as it does not suffer from instrumental surface aberrations commonly found on multidetector instruments, while D20 is best for fast internal-strain scanning. Two examples for residual-stress measurements in a shot-peened material, and in a weld are presented to demonstrate the attractive features of both instruments. (author).

  5. Analysis of imidacloprid residues in fruits, vegetables, cereals, fruit juices, and baby foods, and daily intake estimation in and around Lucknow, India.

    Science.gov (United States)

    Kapoor, Upasana; Srivastava, M K; Srivastava, Ashutosh Kumar; Patel, D K; Garg, Veena; Srivastava, L P

    2013-03-01

    A total of 250 samples-including fruits, fruit juices, and baby foods (50 samples each), vegetables (70 samples), and cereals (30 samples)-were collected from Lucknow, India, and analyzed for the presence of imidacloprid residues. The QuEChERS (quick, easy, cheap, effective, rugged, and safe) method of extraction coupled with high-performance liquid chromatographic analysis were carried out, and imidacloprid residues were qualitatively confirmed by liquid chromatography-mass spectrometry. Imidacloprid was not detected in samples of fruit juices and baby foods. It was, however, detected in 38 samples of fruits, vegetables, and cereals, which is about 15.20% of the total samples. Of samples of fruits, 22% showed the presence of imidacloprid, and 2% of samples showed residues above the maximal residue limit. Although imidacloprid was detected in 24% of vegetable samples, only 5.71% showed the presence of imidacloprid above the maximal residue limit. However, 33% of cereal samples showed the presence of imidacloprid, and about 3% of samples were above the maximal residue limit. The calculated estimated daily intake ranged between 0.004 and 0.131 µg/kg body weight, and the hazard indices ranged from 0.007 to 0.218 for these food commodities. It is therefore indicated that lifetime consumption of vegetables, fruits, fruit juices, baby foods, wheat, rice, and pulses may not pose a health hazard for the population of Lucknow because the hazard indices for imidacloprid residues were below one. Copyright © 2012 SETAC.

  6. Towards strong light-matter coupling at the single-resonator level with sub-wavelength mid-infrared nano-antennas

    Energy Technology Data Exchange (ETDEWEB)

    Malerba, M.; De Angelis, F., E-mail: francesco.deangelis@iit.it [Istituto Italiano di Tecnologia, Via Morego, 30, I-16163 Genova (Italy); Ongarello, T.; Paulillo, B.; Manceau, J.-M.; Beaudoin, G.; Sagnes, I.; Colombelli, R., E-mail: raffaele.colombelli@u-psud.fr [Centre for Nanoscience and Nanotechnology (C2N Orsay), CNRS UMR9001, Univ. Paris Sud, Univ. Paris Saclay, 91405 Orsay (France)

    2016-07-11

    We report a crucial step towards single-object cavity electrodynamics in the mid-infrared spectral range using resonators that borrow functionalities from antennas. Room-temperature strong light-matter coupling is demonstrated in the mid-infrared between an intersubband transition and an extremely reduced number of sub-wavelength resonators. By exploiting 3D plasmonic nano-antennas featuring an out-of-plane geometry, we observed strong light-matter coupling in a very low number of resonators: only 16, more than 100 times better than what reported to date in this spectral range. The modal volume addressed by each nano-antenna is sub-wavelength-sized and it encompasses only ≈4400 electrons.

  7. Determining the Residual Cypermethrin, Permethrin, Indoxacarb and Mancozeb in Tomato Produced in Bushehr Province Farms

    Directory of Open Access Journals (Sweden)

    Maimanat Tobeh Khak

    2016-05-01

    Full Text Available Food is necessary for a healthy lifestyle, but it’s an important way of spreading many pathogens and toxic chemicals. The food contamination may happen during planting, harvesting, storing, processing or transporting. Hence, the food quality monitoring is necessary. Plants constitute the main source of food for human being. Fighting against pests and plant diseases in some cases, prevents product loss. It is obvious that the pest control is crucial for the future agriculture, industry and hygiene. Despite the current discussions and critics in scientific conventions about the adverse effects of pesticide use on human life, chemical based methods of pest control are still the most common among the farmers. Pesticide residues in agricultural products due to inappropriate and excessive consumption of pesticides is a worldwide problem that has overshadowed the health of human societies (1. Bushehr province, according to its weather conditions, is one of the major tomato growers in the country in autumn and winter. In this study, the residues of 9 toxins (Cypermethrin, Permethrin, Indoxacarb And Mancozeb, Chlorothalonil, Iprodione, Thiophanate methyl, Carbendazim Golsam, and Abamectin has been investigated in 37 Tomato samples from the farms of Jam, Dashtestan, Dashti, Deir and kangan cities, and Except Abamectin other toxins were detected. Cypermethrin rate was higher than standard in 2.8% of the samples. The residues of Permethrin, Indoxacarb, Mancozeb, Chlorothalonil, Iprodione and Thiophanate methyl was lower than the allowed limits in all the samples. The amount of Carbendazim was determined to be higher than the allowed limits in 4.8% of the samples.

  8. Residues from waste incineration. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Astrup, T.; Juul Pedersen, A.; Hyks, J.; Frandsen, F.J.

    2009-08-15

    The overall objective of the project was to improve the understanding of the formation and characteristics of residues from waste incineration. This was done focusing on the importance of the waste input and the operational conditions of the furnace. Data and results obtained from the project have been discussed in this report according to the following three overall parts: i) mass flows and element distribution, ii) flue gas/particle partitioning and corrosion/deposition aspects, and iii) residue leaching. This has been done with the intent of structuring the discussion while tacitly acknowledging that these aspects are interrelated and cannot be separated. Overall, it was found that the waste input composition had significant impact of the characteristics of the generated residues. A similar correlation between operational conditions and residue characteristics could not be observed. Consequently, the project recommend that optimization of residue quality should focus on controlling the waste input composition. The project results showed that including specific waste materials (and thereby also excluding the same materials) may have significant effects on the residue composition, residue leaching, aerosol and deposit formation.It is specifically recommended to minimize Cl in the input waste. Based on the project results, it was found that a significant potential for optimization of waste incineration exist. (author)

  9. Optimization of the Process Parameters for Controlling Residual Stress and Distortion in Friction Stir Welding

    DEFF Research Database (Denmark)

    Tutum, Cem Celal; Schmidt, Henrik Nikolaj Blicher; Hattel, Jesper Henri

    2008-01-01

    In the present paper, numerical optimization of the process parameters, i.e. tool rotation speed and traverse speed, aiming minimization of the two conflicting objectives, i.e. the residual stresses and welding time, subjected to process-specific thermal constraints in friction stir welding......, is investigated. The welding process is simulated in 2-dimensions with a sequentially coupled transient thermo-mechanical model using ANSYS. The numerical optimization problem is implemented in modeFRONTIER and solved using the Multi-Objective Genetic Algorithm (MOGA-II). An engineering-wise evaluation or ranking...

  10. Ensemble Kalman filtering with residual nudging

    KAUST Repository

    Luo, X.

    2012-10-03

    Covariance inflation and localisation are two important techniques that are used to improve the performance of the ensemble Kalman filter (EnKF) by (in effect) adjusting the sample covariances of the estimates in the state space. In this work, an additional auxiliary technique, called residual nudging, is proposed to monitor and, if necessary, adjust the residual norms of state estimates in the observation space. In an EnKF with residual nudging, if the residual norm of an analysis is larger than a pre-specified value, then the analysis is replaced by a new one whose residual norm is no larger than a pre-specified value. Otherwise, the analysis is considered as a reasonable estimate and no change is made. A rule for choosing the pre-specified value is suggested. Based on this rule, the corresponding new state estimates are explicitly derived in case of linear observations. Numerical experiments in the 40-dimensional Lorenz 96 model show that introducing residual nudging to an EnKF may improve its accuracy and/or enhance its stability against filter divergence, especially in the small ensemble scenario.

  11. Determination of Pesticides Residues in Cucumbers Grown in Greenhouse and the Effect of Some Procedures on Their Residues.

    Science.gov (United States)

    Leili, Mostafa; Pirmoghani, Amin; Samadi, Mohammad Taghi; Shokoohi, Reza; Roshanaei, Ghodratollah; Poormohammadi, Ali

    2016-11-01

    The objective of this study was to determine the residual concentrations of ethion and imidacloprid in cucumbers grown in greenhouse. The effect of some simple processing procedures on both ethion and imidacloprid residues were also studied. Ten active greenhouses that produce cucumber were randomly selected. Ethion and imidacloprid as the most widely used pesticides were measured in cucumber samples of studied greenhouses. Moreover, the effect of storing, washing, and peeling as simple processing procedures on both ethion and imidacloprid residues were investigated. One hour after pesticide application; the maximum residue levels (MRLs) of ethion and imidacloprid were higher than that of Codex standard level. One day after pesticide application, the levels of pesticides were decreased about 35 and 31% for ethion and imidacloprid, respectively, which still were higher than the MRL. Washing procedure led to about 51 and 42.5% loss in ethion and imidacloprid residues, respectively. Peeling procedure also led to highest loss of 93.4 and 63.7% in ethion and imidacloprid residues, respectively. The recovery for both target analytes was in the range between 88 and 102%. The residue values in collected samples one hour after pesticides application were higher than standard value. The storing, washing, and peeling procedures lead to the decrease of pesticide residues in greenhouse cucumbers. Among them, the peeling procedure has the greatest impact on residual reduction. Therefore, these procedures can be used as simple and effective processing techniques for reducing and removing pesticides from greenhouse products before their consumption.

  12. Using lagged dependence to identify (de)coupled surface and subsurface soil moisture values

    Science.gov (United States)

    Carranza, Coleen D. U.; van der Ploeg, Martine J.; Torfs, Paul J. J. F.

    2018-04-01

    Recent advances in radar remote sensing popularized the mapping of surface soil moisture at different spatial scales. Surface soil moisture measurements are used in combination with hydrological models to determine subsurface soil moisture values. However, variability of soil moisture across the soil column is important for estimating depth-integrated values, as decoupling between surface and subsurface can occur. In this study, we employ new methods to investigate the occurrence of (de)coupling between surface and subsurface soil moisture. Using time series datasets, lagged dependence was incorporated in assessing (de)coupling with the idea that surface soil moisture conditions will be reflected at the subsurface after a certain delay. The main approach involves the application of a distributed-lag nonlinear model (DLNM) to simultaneously represent both the functional relation and the lag structure in the time series. The results of an exploratory analysis using residuals from a fitted loess function serve as a posteriori information to determine (de)coupled values. Both methods allow for a range of (de)coupled soil moisture values to be quantified. Results provide new insights into the decoupled range as its occurrence among the sites investigated is not limited to dry conditions.

  13. Alternatives to crop residues for soil amendment

    OpenAIRE

    Powell, J.M.; Unger, P.W.

    1997-01-01

    Metadata only record In semiarid agroecosystems, crop residues can provide important benefits of soil and water conservation, nutrient cycling, and improved subsequent crop yields. However, there are frequently multiple competing uses for residues, including animal forage, fuel, and construction material. This chapter discusses the various uses of crop residues and examines alternative soil amendments when crop residues cannot be left on the soil.

  14. 77 FR 24671 - Compliance Guide for Residue Prevention and Agency Testing Policy for Residues

    Science.gov (United States)

    2012-04-25

    ... Hazard Analysis and Critical Control Points (HACCP) inspection system, another important component of the NRP is to provide verification of residue control in HACCP systems. As part of the HACCP regulation... guide, and FSIS finds violative residues, the establishment's HACCP system may be inadequate under 9 CFR...

  15. Macroscopic Magnetic Coupling Effect: The Physical Origination of a High-Temperature Superconducting Flux Pump

    Science.gov (United States)

    Wang, Wei; Coombs, Tim

    2018-04-01

    We have uncovered at the macroscopic scale a magnetic coupling phenomenon in a superconducting YBa2Cu3O7 -δ (YBCO) film, which physically explains the mechanism of the high-temperature superconducting flux pump. The coupling occurs between the applied magnetic poles and clusters of vortices induced in the YBCO film, with each cluster containing millions of vortices. The coupling energy is verified to originate from the inhomogeneous field of the magnetic poles, which reshapes the vortex distribution, aggregates millions of vortices into a single cluster, and accordingly moves with the poles. A contrast study is designed to verify that, to provide the effective coupling energy, the applied wavelength must be short while the field amplitude must be strong, i.e., local-field inhomogeneity is the crucial factor. This finding broadens our understanding of the collective vortex behavior in an applied magnetic field with strong local inhomogeneity. Moreover, this phenomenon largely increases the controlled vortex flow rate by several orders of magnitude compared with existing methods, providing motivation for and physical support to a new branch of wireless superconducting dc power sources, i.e., the high-temperature superconducting flux pump.

  16. Alternate approach for calculating hardness based on residual indentation depth: Comparison with experiments

    Science.gov (United States)

    Ananthakrishna, G.; K, Srikanth

    2018-03-01

    It is well known that plastic deformation is a highly nonlinear dissipative irreversible phenomenon of considerable complexity. As a consequence, little progress has been made in modeling some well-known size-dependent properties of plastic deformation, for instance, calculating hardness as a function of indentation depth independently. Here, we devise a method of calculating hardness by calculating the residual indentation depth and then calculate the hardness as the ratio of the load to the residual imprint area. Recognizing the fact that dislocations are the basic defects controlling the plastic component of the indentation depth, we set up a system of coupled nonlinear time evolution equations for the mobile, forest, and geometrically necessary dislocation densities. Within our approach, we consider the geometrically necessary dislocations to be immobile since they contribute to additional hardness. The model includes dislocation multiplication, storage, and recovery mechanisms. The growth of the geometrically necessary dislocation density is controlled by the number of loops that can be activated under the contact area and the mean strain gradient. The equations are then coupled to the load rate equation. Our approach has the ability to adopt experimental parameters such as the indentation rates, the geometrical parameters defining the Berkovich indenter, including the nominal tip radius. The residual indentation depth is obtained by integrating the Orowan expression for the plastic strain rate, which is then used to calculate the hardness. Consistent with the experimental observations, the increasing hardness with decreasing indentation depth in our model arises from limited dislocation sources at small indentation depths and therefore avoids divergence in the limit of small depths reported in the Nix-Gao model. We demonstrate that for a range of parameter values that physically represent different materials, the model predicts the three characteristic

  17. Cosmological dynamics with non-minimally coupled scalar field and a constant potential function

    International Nuclear Information System (INIS)

    Hrycyna, Orest; Szydłowski, Marek

    2015-01-01

    Dynamical systems methods are used to investigate global behaviour of the spatially flat Friedmann-Robertson-Walker cosmological model in gravitational theory with a non-minimally coupled scalar field and a constant potential function. We show that the system can be reduced to an autonomous three-dimensional dynamical system and additionally is equipped with an invariant manifold corresponding to an accelerated expansion of the universe. Using this invariant manifold we find an exact solution of the reduced dynamics. We investigate all solutions for all admissible initial conditions using theory of dynamical systems to obtain a classification of all evolutional paths. The right-hand sides of the dynamical system depend crucially on the value of the non-minimal coupling constant therefore we study bifurcation values of this parameter under which the structure of the phase space changes qualitatively. We found a special bifurcation value of the non-minimal coupling constant which is distinguished by dynamics of the model and may suggest some additional symmetry in matter sector of the theory

  18. Higgs self-coupling in the MSSM and NMSSM after the LHC Run 1

    Directory of Open Access Journals (Sweden)

    Lei Wu

    2015-07-01

    Full Text Available Measuring the Higgs self-coupling is one of the crucial physics goals at the LHC Run-2 and other future colliders. In this work, we attempt to figure out the size of SUSY effects on the trilinear self-coupling of the 125 GeV Higgs boson in the MSSM and NMSSM after the LHC Run-1. Taking account of current experimental constraints, such as the Higgs data, flavor constraints, electroweak precision observables and dark matter detections, we obtain the observations: (1 In the MSSM, the ratio λ3hMSSM/λ3hSM has been tightly constrained by the LHC data, which can be only slightly smaller than 1 and minimally reach 97%; (2 In the NMSSM with λ0.7, a large enhancement or reduction −1.1<λ3h1NMSSM/λ3h1SM<2 can occur, which is accompanied by a sizable change of h1τ+τ− coupling. The future colliders, such as the HL-LHC and ILC, will have the capacity to test these large deviations in the NMSSM.

  19. Cosmological dynamics with non-minimally coupled scalar field and a constant potential function

    Energy Technology Data Exchange (ETDEWEB)

    Hrycyna, Orest [Theoretical Physics Division, National Centre for Nuclear Research, Hoża 69, 00-681 Warszawa (Poland); Szydłowski, Marek, E-mail: orest.hrycyna@ncbj.gov.pl, E-mail: marek.szydlowski@uj.edu.pl [Astronomical Observatory, Jagiellonian University, Orla 171, 30-244 Kraków (Poland)

    2015-11-01

    Dynamical systems methods are used to investigate global behaviour of the spatially flat Friedmann-Robertson-Walker cosmological model in gravitational theory with a non-minimally coupled scalar field and a constant potential function. We show that the system can be reduced to an autonomous three-dimensional dynamical system and additionally is equipped with an invariant manifold corresponding to an accelerated expansion of the universe. Using this invariant manifold we find an exact solution of the reduced dynamics. We investigate all solutions for all admissible initial conditions using theory of dynamical systems to obtain a classification of all evolutional paths. The right-hand sides of the dynamical system depend crucially on the value of the non-minimal coupling constant therefore we study bifurcation values of this parameter under which the structure of the phase space changes qualitatively. We found a special bifurcation value of the non-minimal coupling constant which is distinguished by dynamics of the model and may suggest some additional symmetry in matter sector of the theory.

  20. Structural characterization of product ions by electrospray ionization and quadrupole time-of-flight mass spectrometry to support regulatory analysis of veterinary drug residues in foods Part 2: Benzimidazoles nitromidaz.....

    Science.gov (United States)

    RATIONALE: Analysis for identification and quantification of regulated veterinary drug residues in foods are usually achieved by liquid chromatography coupled to tandem mass spectrometry. The instrument method requires the selection of characteristic ions, but structure elucidation is seldom perform...

  1. Public information - the crucial element in nuclear power acceptance

    International Nuclear Information System (INIS)

    Hayes, R.; Middlemiss, N.

    1996-01-01

    The British nuclear industry approach to the public information is described as the crucial element in nuclear power acceptance. The industry need to be a reliable, trustworthy source of information. There is evidence that when issues are examined in court or in quasi-judicial contexts, the public gains a better appreciation of the issues. The media report both sides of debate more evenly. Therefore the best way to deal with the most hostile opposition may be to take into a legal framework, rather than engage in hand-to-hand battle

  2. Public information - the crucial element in nuclear power acceptance

    Energy Technology Data Exchange (ETDEWEB)

    Hayes, R; Middlemiss, N [British Nuclear Industry Forum, London (United Kingdom)

    1996-07-01

    The British nuclear industry approach to the public information is described as the crucial element in nuclear power acceptance. The industry need to be a reliable, trustworthy source of information. There is evidence that when issues are examined in court or in quasi-judicial contexts, the public gains a better appreciation of the issues. The media report both sides of debate more evenly. Therefore the best way to deal with the most hostile opposition may be to take into a legal framework, rather than engage in hand-to-hand battle.

  3. Construction of covalently coupled, concatameric dimers of 7TM receptors

    DEFF Research Database (Denmark)

    Terpager, Marie; Scholl, D Jason; Kubale, Valentina

    2009-01-01

    -Ala repeats flanked by flexible spacers and positively charged residues to ensure correct inside-out orientation plus an extracellular HA-tag to construct covalently coupled dimers of 7TM receptors. Such 15 TM concatameric homo- and heterodimers of the beta(2)-adrenergic and the NK(1) receptors, which...... for either of the protomers, which was not observed upon simple coexpression of the two receptors. It is concluded that covalently joined 7TM receptor dimers with surprisingly normal receptor properties can be constructed with use of an artificial transmembrane connector, which perhaps can be used to fuse...

  4. A Naturally Encoded Dipeptide Handle for Bioorthogonal Chan-Lam Coupling.

    Science.gov (United States)

    Ohata, Jun; Zeng, Yimeng; Segatori, Laura; Ball, Zachary T

    2018-04-03

    Manipulation of biomacromolecules is ideally achieved through unique and bioorthogonal chemical reactions of genetically encoded, naturally occurring functional groups. The toolkit of methods for site-specific conjugation is limited by selectivity concerns and a dearth of naturally occurring functional groups with orthogonal reactivity. We report that pyroglutamate amide N-H bonds exhibit bioorthogonal copper-catalyzed Chan-Lam coupling at pyroglutamate-histidine dipeptide sequences. The pyroglutamate residue is readily incorporated into proteins of interest by natural enzymatic pathways, allowing specific bioconjugation at a minimalist dipeptide tag. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Identification of crucial amino acids in mouse aldehyde oxidase 3 that determine substrate specificity.

    Directory of Open Access Journals (Sweden)

    Martin Mahro

    Full Text Available In order to elucidate factors that determine substrate specificity and activity of mammalian molybdo-flavoproteins we performed site directed mutagenesis of mouse aldehyde oxidase 3 (mAOX3. The sequence alignment of different aldehyde oxidase (AOX isoforms identified variations in the active site of mAOX3 in comparison to other AOX proteins and xanthine oxidoreductases (XOR. Based on the structural alignment of mAOX3 and bovine XOR, differences in amino acid residues involved in substrate binding in XORs in comparison to AOXs were identified. We exchanged several residues in the active site to the ones found in other AOX homologues in mouse or to residues present in bovine XOR in order to examine their influence on substrate selectivity and catalytic activity. Additionally we analyzed the influence of the [2Fe-2S] domains of mAOX3 on its kinetic properties and cofactor saturation. We applied UV-VIS and EPR monitored redox-titrations to determine the redox potentials of wild type mAOX3 and mAOX3 variants containing the iron-sulfur centers of mAOX1. In addition, a combination of molecular docking and molecular dynamic simulations (MD was used to investigate factors that modulate the substrate specificity and activity of wild type and AOX variants. The successful conversion of an AOX enzyme to an XOR enzyme was achieved exchanging eight residues in the active site of mAOX3. It was observed that the absence of the K889H exchange substantially decreased the activity of the enzyme towards all substrates analyzed, revealing that this residue has an important role in catalysis.

  6. Cycling of grain legume residue nitrogen

    DEFF Research Database (Denmark)

    Jensen, E.S.

    1995-01-01

    Symbiotic nitrogen fixation by legumes is the main input of nitrogen in ecological agriculture. The cycling of N-15-labelled mature pea (Pisum sativum L.) residues was studied during three years in small field plots and lysimeters. The residual organic labelled N declined rapidly during the initial...... management methods in order to conserve grain legume residue N sources within the soil-plant system....

  7. The conserved residue Arg46 in the N-terminal heptad repeat domain of HIV-1 gp41 is critical for viral fusion and entry.

    Directory of Open Access Journals (Sweden)

    Xiaoyi Wang

    Full Text Available During the process of HIV-1 fusion with the target cell, the N-terminal heptad repeat (NHR of gp41 interacts with the C-terminal heptad repeat (CHR to form fusogenic six-helix bundle (6-HB core. We previously identified a crucial residue for 6-HB formation and virus entry--Lys63 (K63 in the C-terminal region of NHR (aa 54-70, which forms a hydrophobic cavity. It can form an important salt bridge with Asp121 (D121 in gp41 CHR. Here, we found another important conserved residue for virus fusion and entry, Arg46 (R46, in the N-terminal region of NHR (aa 35-53, which forms a hydrogen bond with a polar residue, Asn43 (N43, in NHR, as a part of the hydrogen-bond network. R46 can also form a salt bridge with a negatively charged residue, Glu137 (E137, in gp41 CHR. Substitution of R46 with the hydrophobic residue Ala (R46A or the negatively charged residue Glu (R46E resulted in disruption of the hydrogen bond network, breakage of the salt bridge and reduction of 6-HB's stability, leading to impairment of viral fusion and decreased inhibition of N36, an NHR peptide. Similarly, CHR peptide C34 with substitution of E137 for Ala (E137A or Arg (E137R also exhibited reduced inhibitory activity against HIV-1 infection and HIV-1-mediated cell-to-cell fusion. These results suggest that the positively charged residue R46 and its hydrogen bond network, together with the salt bridge between R46 and E137, are important for viral fusion and entry and may therefore serve as a target for designing novel HIV fusion/entry inhibitors.

  8. Explosive death of conjugate coupled Van der Pol oscillators on networks

    Science.gov (United States)

    Zhao, Nannan; Sun, Zhongkui; Yang, Xiaoli; Xu, Wei

    2018-06-01

    Explosive death phenomenon has been gradually gaining attention of researchers due to the research boom of explosive synchronization, and it has been observed recently for the identical or nonidentical coupled systems in all-to-all network. In this work, we investigate the emergence of explosive death in networked Van der Pol (VdP) oscillators with conjugate variables coupling. It is demonstrated that the network structures play a crucial role in identifying the types of explosive death behaviors. We also observe that the damping coefficient of the VdP system not only can determine whether the explosive death state is generated but also can adjust the forward transition point. We further show that the backward transition point is independent of the network topologies and the damping coefficient, which is well confirmed by theoretical analysis. Our results reveal the generality of explosive death phenomenon in different network topologies and are propitious to promote a better comprehension for the oscillation quenching behaviors.

  9. On root class residuality of HNN-extensions

    International Nuclear Information System (INIS)

    Tieudjo, D.

    2004-08-01

    A sufficient condition or root-class residuality of HNN-extensions with root-class residual base group is proven; namely if G = -1 1Ht = K, φ> is the HNN-extension with base group A, stable letter t and associated subgroups H and K via the isomorphism φ, then G is root-class residual if group A is root-class residual and there exists a homomorphism σ of group G onto some group of a root-class such that σ is one-to-one on H. For the particular case when H = K and σ is the identical map, it is shown that G is root-class residual if and only if A is root-class residual and subgroup H of A is root-class separable. These results are generalized to multiple HNN-extensions. (author)

  10. Short-Range Electron Transfer in Reduced Flavodoxin: Ultrafast Nonequilibrium Dynamics Coupled with Protein Fluctuations.

    Science.gov (United States)

    Kundu, Mainak; He, Ting-Fang; Lu, Yangyi; Wang, Lijuan; Zhong, Dongping

    2018-05-03

    Short-range electron transfer (ET) in proteins is an ultrafast process on the similar timescales as local protein-solvent fluctuations thus the two dynamics are coupled. Here, we use semiquinone flavodoxin and systematically characterized the photoinduced redox cycle with eleven mutations of different aromatic electron donors (tryptophan and tyrosine) and local residues to change redox properties. We observed the forward and backward ET dynamics in a few picoseconds, strongly following a stretched behavior resulting from a coupling between local environment relaxations and these ET processes. We further observed the hot vibrational-state formation through charge recombination and the subsequent cooling dynamics also in a few picoseconds. Combined with the ET studies in oxidized flavodoxin, these results coherently reveal the evolution of the ET dynamics from single to stretched exponential behaviors and thus elucidate critical timescales for the coupling. The observed hot vibration-state formation is robust and should be considered in all photoinduced back ET processes in flavoproteins.

  11. Examining the Potential of Forest Residue-Based Amendments for Post-Wildfire Rehabilitation in Colorado, USA

    Directory of Open Access Journals (Sweden)

    Charles C. Rhoades

    2017-01-01

    Full Text Available Wildfire is a natural disturbance, though elemental losses and changes that occur during combustion and post-fire erosion can have long-term impacts on soil properties, ecosystem productivity, and watershed condition. Here we evaluate the potential of forest residue-based materials to rehabilitate burned soils. We compare soil nutrient and water availability, and plant recovery after application of 37 t ha−1 of wood mulch, 20 t ha−1 of biochar, and the combination of the two amendments with untreated, burned soils. We also conducted a greenhouse trial to examine how biochar influenced soil nutrient and water content under two wetting regimes. The effects of wood mulch on plant-available soil N and water content were significant and seasonally consistent during the three-year field study. Biochar applied alone had few effects under field conditions, but significantly increased soil pH, Ca, P, and water in the greenhouse. The mulched biochar treatment had the greatest effects on soil N and water availability and increased cover of the most abundant native plant. We found that rehabilitation treatments consisting of forest residue-based products have potential to enhance soil N and water dynamics and plant recovery following severe wildfire and may be justified where erosion risk or water supply protection are crucial.

  12. Agglomeration of powders with a new-coupled vibration-compaction device

    Directory of Open Access Journals (Sweden)

    Serris Eric

    2017-01-01

    Full Text Available Inorganic powder recycling should be a crucial process for the “smart factories” in the future. A complex three-phase system (bauxite mixed with ordinary Portland cement and water with a new-coupled vibration-compaction device is studied. The compressive stress of compacts seems to be improved by using this device at low compaction pressure leaving the other characteristics unchanged. The tomographic study of macroscopic porosities shows differences in the pores repartitions inside vibrated and untreated compacts. Classic porosity repartition is shown in the classic compacted bauxite compacts whereas in the vibrated-compacted bauxite exhibits inhomogeneities. Despite this, we find these results quite promising for further investigations.

  13. Distribution of Penicillin G Residues in Culled Dairy Cow Muscles: Implications for Residue Monitoring

    Science.gov (United States)

    The U.S. Food and Drug Administration sets tolerances for veterinary drug residues in muscle, but does not specify which type of muscle should be analyzed. In order to determine if antibiotic residue levels are dependent on muscle type, 7 culled dairy cows were dosed with Penicillin G (Pen G) from ...

  14. How Best to Obtain Valid, Verifiable Data Online From Male Couples? Lessons Learned From an eHealth HIV Prevention Intervention for HIV-Negative Male Couples.

    Science.gov (United States)

    Mitchell, Jason; Lee, Ji-Young; Stephenson, Rob

    2016-09-20

    As interest increases in the development of eHealth human immunodeficiency virus (HIV)-preventive interventions for gay male couples, Web-based methods must also be developed to help increase the likelihood that couples enrolled and data collected from them represent true unique dyads. Methods to recruit and collect reliable and valid data from both members of a couple are lacking, yet are crucial for uptake of novel sexual health and HIV-prevention eHealth interventions. Methods to describe best practices to recruit male couples using targeted advertisements on Facebook are also lacking in the literature, yet could also help in this uptake. The objective of our study was to describe challenges and lessons learned from experiences from two phases (developmental phase and online randomized controlled trial [RCT]) of an eHealth HIV-prevention intervention for concordant HIV-negative male couples in terms of (1) recruiting male couples using targeted advertisements on Facebook, (2) validating that data came from two partners of the couple, and (3) verifying that the two partners of the couple are in a relationship with each other. The developmental phase refined the intervention via in-person focus groups, whereas the pilot-testing phase included an online RCT. For both phases, couples were recruited via targeted Facebook advertisements. Advertisements directed men to a study webpage and screener; once eligible, participants provided consent electronically. A partner referral system was embedded in the consenting process to recruit the relationship partner of the participant. Both men of the couple had to meet all eligibility criteria-individually and as a couple-before they could enroll in the study. Verification of couples' relationships was assessed via the concurrence of predetermined screener items from both partners, done manually in the developmental phase and electronically in the pilot-testing phase. A system of decision rules was developed to assess the

  15. Submillimeter and microwave residual losses in epitaxial films of Y-Ba-Cu-O and Tl-Ca-Ba-Cu-O

    International Nuclear Information System (INIS)

    Miller, D.; Richards, P.L.; Eom, C.B.; Geballe, T.H.; Etemad, S.; Inam, A.; Venkatesan, T.; Martens, J.S.; Lee, W.Y.

    1992-12-01

    We have used a novel bolometric technique and a resonant technique to obtain accurate submillimeter and microwave residual loss data for epitaxial thin films of YBa 2 Cu 3 O 7 , Tl 2 Ca 2 Ba 2 Cu 3 O 10 and Tl 2 CaBa 2 Cu 2 O 8 . For all films we obtain good agreement between the submillimeter and microwave data, with the residual losses in both the Y-Ba-Cu-O and Tl-Ca-Ba-Cu-O films scaling approximately as frequency squared below ∼ 1 THz. We are able to fit the losses in the Y-Ba-Cu-O films to a two fluid and a weakly coupled grain model for the a-b planeconductivity, in good agreement with results from a Kramers-Kronig analysis of the loss data

  16. Multiparticle octupole coupling and magnetic moments of hn9/2 isomers in N=126 isotones

    International Nuclear Information System (INIS)

    Stuchbery, A.E.; Byrne, A.P.; Dracoulis, G.D.; Fabricius, B.; Kibedi, T.

    1992-12-01

    The influence of particle-vibration coupling on the g-factors of the (h 9/2 ) n > isomers in the N = 126 isotones is assessed using the multiparticle octupole coupling model. According to the model, admixtures of the configuration (h 9/2 ) n-1 f 7/2 > in the yrast 8 + and 21/2 - states, nominally associated with the configuration (h 9/2 ) n >, increase with n. On its own, the octupole mixing mechanism therefore predicts g-factors for these states that increase with the number of valence protons. This trend is the opposite of that predicted by core-polarization blocking. Combining multiparticle octupole coupling and first order core-polarization blocking significantly reduces the discrepancy between the experimental and theoretical g-factors of these states. It is concluded that the observed breakdown in additivity for the g-factors of the (h 9/2 ) n > isomers in the N = 126 isotones arises primarily from first order core-polarization blocking and the combination of configuration mixing due to multiparticle octupole coupling and shell model residual interactions. 40 refs., 5 tabs., 3 figs

  17. Identifying Crucial Issues in Climate Science

    Science.gov (United States)

    Ikeda, Motoyoshi; Greve, Ralf; Hara, Toshika; Watanabe, Yutaka W.; Ohmura, Atsumu; Ito, Akihiko; Kawamiya, Michio

    2009-01-01

    Drastic Change in the Earth System During Global Warming; Sapporo, Japan, 24 June 2008; The Nobel Peace Prize awarded to the Intergovernmental Panel on Climate Change (IPCC) and former U.S. vice president Al Gore indicates that global warming is recognized as a real phenomenon critical to human beings. However, humanity's knowledge concerning global warming is based on an uncertainty larger than 50% in the warming rate during the past century. Therefore, scientific clarification is needed to understand important mechanisms that potentially produce positive feedbacks in the Earth system-such mechanisms must be better understood before scientists can develop more reliable predictions. To plan for the future, a symposium was organized at Japan's Hokkaido University in association with the G8 Summit, where the most recent updates on the five urgent issues in climate science were discussed. These issues, considered to be crucial as severe impacts on human society continue to rise, included (1) causes and magnitude of sea level rise; (2) decay of glaciers and the Greenland and Antarctic ice sheets; (3) disappearance of the summer Arctic sea ice; (4) carbon uptake or emission by the terrestrial ecosystem; and (5) marine ecosystem change resulting in carbon emissions.

  18. The importance of benthic-pelagic coupling for marine ecosystem functioning in a changing world

    DEFF Research Database (Denmark)

    Griffiths, Jennifer R.; Kadin, Martina; Nascimento, Francisco J. A.

    2017-01-01

    and function is strongly affected by anthropogenic pressures, however there are large gaps in our understanding of the responses of inorganic nutrient and organic matter fluxes between benthic habitats and the water column. We illustrate the varied nature of physical and biological benthic-pelagic coupling...... processes and their potential sensitivity to three anthropogenic pressures - climate change, nutrient loading, and fishing - using the Baltic Sea as a case study, and summarize current knowledge on the exchange of inorganic nutrients and organic material between habitats. Traditionally measured benthic......Benthic-pelagic coupling is manifested as the exchange of energy, mass, or nutrients between benthic and pelagic habitats. It plays a prominent role in aquatic ecosystems and it is crucial to functions from nutrient cycling to energy transfer in food webs. Coastal and estuarine ecosystem structure...

  19. Environmental dredging residual generation and management.

    Science.gov (United States)

    Patmont, Clay; LaRosa, Paul; Narayanan, Raghav; Forrest, Casey

    2018-05-01

    The presence and magnitude of sediment contamination remaining in a completed dredge area can often dictate the success of an environmental dredging project. The need to better understand and manage this remaining contamination, referred to as "postdredging residuals," has increasingly been recognized by practitioners and investigators. Based on recent dredging projects with robust characterization programs, it is now understood that the residual contamination layer in the postdredging sediment comprises a mixture of contaminated sediments that originate from throughout the dredge cut. This mixture of contaminated sediments initially exhibits fluid mud properties that can contribute to sediment transport and contamination risk outside of the dredge area. This article reviews robust dredging residual evaluations recently performed in the United States and Canada, including the Hudson River, Lower Fox River, Ashtabula River, and Esquimalt Harbour, along with other projects. These data better inform the understanding of residuals generation, leading to improved models of dredging residual formation to inform remedy evaluation, selection, design, and implementation. Data from these projects confirm that the magnitude of dredging residuals is largely determined by site conditions, primarily in situ sediment fluidity or liquidity as measured by dry bulk density. While the generation of dredging residuals cannot be avoided, residuals can be successfully and efficiently managed through careful development and implementation of site-specific management plans. Integr Environ Assess Manag 2018;14:335-343. © 2018 The Authors. Integrated Environmental Assessment and Management Published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC). © 2018 The Authors. Integrated Environmental Assessment and Management Published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

  20. Application of novel catalytic-ceramic-filler in a coupled system for long-chain dicarboxylic acids manufacturing wastewater treatment.

    Science.gov (United States)

    Wu, Suqing; Qi, Yuanfeng; Fan, Chunzhen; He, Shengbing; Dai, Bibo; Huang, Jungchen; Zhou, Weili; Gao, Lei

    2016-02-01

    To gain systematic technology for long-chain dicarboxylic acids (LDCA) manufacturing wastewater treatment, catalytic micro-electrolysis (CME) coupling with adsorption-biodegradation sludge (AB) process was studied. Firstly, novel catalytic-ceramic-filler was prepared from scrap iron, clay and copper sulfate solution and packed in the CME reactor. To remove residual n-alkane and LDCA, the CME reactor was utilized for LDCA wastewater pretreatment. The results revealed that about 94% of n-alkane, 98% of LDCA and 84% of chemical oxygen demand (COD) were removed by the aerated CME reactor at the optimum hydraulic retention time (HRT) of 3.0 h. In this process, catalysis from Cu and montmorillonites played an important role in improving the contaminants removal. Secondly, to remove residual COD in the wastewater, AB process was designed for the secondary biological treatment, about 90% of the influent COD could be removed by biosorption, bio-flocculation and biodegradation effects. Finally, the effluent COD (about 150 mg L(-1)) discharged from the coupled CME-AB system met the requirement of the national discharged standard (COD ≤ 300 mg L(-1)). All of these results suggest that the coupled CME-AB system is a promising technology due to its high-efficient performance, and has the potential to be applied for the real LDCA wastewater treatment. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Ensemble Kalman filtering with residual nudging

    Directory of Open Access Journals (Sweden)

    Xiaodong Luo

    2012-10-01

    Full Text Available Covariance inflation and localisation are two important techniques that are used to improve the performance of the ensemble Kalman filter (EnKF by (in effect adjusting the sample covariances of the estimates in the state space. In this work, an additional auxiliary technique, called residual nudging, is proposed to monitor and, if necessary, adjust the residual norms of state estimates in the observation space. In an EnKF with residual nudging, if the residual norm of an analysis is larger than a pre-specified value, then the analysis is replaced by a new one whose residual norm is no larger than a pre-specified value. Otherwise, the analysis is considered as a reasonable estimate and no change is made. A rule for choosing the pre-specified value is suggested. Based on this rule, the corresponding new state estimates are explicitly derived in case of linear observations. Numerical experiments in the 40-dimensional Lorenz 96 model show that introducing residual nudging to an EnKF may improve its accuracy and/or enhance its stability against filter divergence, especially in the small ensemble scenario.

  2. Computational Prediction of Hot Spot Residues

    Science.gov (United States)

    Morrow, John Kenneth; Zhang, Shuxing

    2013-01-01

    Most biological processes involve multiple proteins interacting with each other. It has been recently discovered that certain residues in these protein-protein interactions, which are called hot spots, contribute more significantly to binding affinity than others. Hot spot residues have unique and diverse energetic properties that make them challenging yet important targets in the modulation of protein-protein complexes. Design of therapeutic agents that interact with hot spot residues has proven to be a valid methodology in disrupting unwanted protein-protein interactions. Using biological methods to determine which residues are hot spots can be costly and time consuming. Recent advances in computational approaches to predict hot spots have incorporated a myriad of features, and have shown increasing predictive successes. Here we review the state of knowledge around protein-protein interactions, hot spots, and give an overview of multiple in silico prediction techniques of hot spot residues. PMID:22316154

  3. Distribution of residues and primitive roots

    Indian Academy of Sciences (India)

    Replacing the function f by g, we get the required estimate for N(p, N). D. Proof of Theorem 1.1. When p = 7, we clearly see that (1, 2) is a consecutive pair of quadratic residue modulo 7. Assume that p ≥ 11. If 10 is a quadratic residue modulo p, then we have (9, 10) as a consecutive pair of quadratic residues modulo p, ...

  4. 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

  5. Using cotton plant residue to produce briquettes

    Energy Technology Data Exchange (ETDEWEB)

    Coates, W. [University of Arizona, Tucson, AZ (United States). Bioresources Research Facility

    2000-07-01

    In Arizona, cotton (Gossypium) plant residue left in the field following harvest must be buried to prevent it from serving as an overwintering site for insects such as the pink bollworm. Most tillage operations employed to incorporate the residue into the soil are energy intensive and often degrade soil structure. Trials showed that cotton plant residue could be incorporated with pecan shells to produce commercially acceptable briquettes. Pecan shell briquettes containing cotton residue rather than waste paper were slightly less durable, when made using equivalent weight mixtures and moisture contents. Proximate and ultimate analyses showed the only difference among briquette samples to be a higher ash content in those made using cotton plant residue. Briquettes made with paper demonstrated longer flame out time, and lower ash percentage, compared to those made with cotton plant residue. (author)

  6. Landfilling of waste incineration residues

    DEFF Research Database (Denmark)

    Christensen, Thomas Højlund; Astrup, Thomas; Cai, Zuansi

    2002-01-01

    Residues from waste incineration are bottom ashes and air-pollution-control (APC) residues including fly ashes. The leaching of heavy metals and salts from the ashes is substantial and a wide spectrum of leaching tests and corresponding criteria have been introduced to regulate the landfilling...

  7. 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.

  8. Slow running of the gradient flow coupling from 200 MeV to 4 GeV in Nf=3 QCD

    International Nuclear Information System (INIS)

    Dalla Brida, Mattia; Fritzsch, Patrick; Korzec, Tomasz; Ramos, Alberto; Sint, Stefan; Sommer, Rainer; Humboldt Univ., Berlin

    2016-07-01

    Using a finite volume Gradient Flow (GF) renormalization scheme with Schroedinger Functional (SF) boundary conditions, we compute the non-perturbative running coupling in the range 2.2crucial to reach our high accuracy. The running of the coupling is always between one-loop and two-loop and very close to one-loop in the region of 200 MeVcoupling with background field. In this case we know the μ dependence up to ∝100 GeV and can thus connect to the Λ-parameter.

  9. Dissolution enhancement and mathematical modeling of removal of residual trichloroethene in sands by ozonation during flushing with micro-nano-bubble solution

    Science.gov (United States)

    Sung, Menghau; Teng, Chun-Hao; Yang, Tsung-Hsien

    2017-07-01

    Soil flushing using micro-nano-sized bubbles (MNB) in water as the flushing solution was tested in laboratory sand columns for the cleanup of residual trichloroethene (TCE) non-aqueous-phase-liquid (NAPL). Experiments considering flushing with MNB as well as ozone MNB (OZMNB) in water to treat soils contaminated with residual TCE liquid were conducted to examine effects of ozone on dissolution enhancement. The degrees of residual TCE saturation in soils, ranging from 0.44% to 7.6%, were tested. During flushings, aqueous TCE concentrations at the column exit were monitored and TCE masses remained in the columns after flushing were determined. Experimental results between runs with MNB and OZMNB in water revealed that dissolution enhancement was dependent on residual saturation conditions, and the maximum enhancement was around 9%. Governing equations consisting of three coupled partial differential equations (PDEs) were developed to model the system, and high-order finite difference (HOFD) method was employed to solve these PDEs. From mathematical modeling of reactive mass transfer under low residual saturation conditions (0.44% and 1.9%), experimental data were simulated and important controlling mechanisms were identified. It was concluded that a specific parameter pertinent to NAPL-water interfacial area in the Sherwood number had to be modified to satisfactorily describe the dissolution of TCE in the presence of MNB in water.

  10. Recipe for residual oil saturation determination

    Energy Technology Data Exchange (ETDEWEB)

    Guillory, A.J.; Kidwell, C.M.

    1979-01-01

    In 1978, Shell Oil Co., in conjunction with the US Department of Energy, conducted a residual oil saturation study in a deep, hot high-pressured Gulf Coast Reservoir. The work was conducted prior to initiation of CO/sub 2/ tertiary recovery pilot. Many problems had to be resolved prior to and during the residual oil saturation determination. The problems confronted are outlined such that the procedure can be used much like a cookbook in designing future studies in similar reservoirs. Primary discussion centers around planning and results of a log-inject-log operation used as a prime method to determine the residual oil saturation. Several independent methods were used to calculate the residual oil saturation in the subject well in an interval between 12,910 ft (3935 m) and 12,020 ft (3938 m). In general, these numbers were in good agreement and indicated a residual oil saturation between 22% and 24%. 10 references.

  11. 40 CFR 180.564 - Indoxacarb; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Indoxacarb; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.564 Indoxacarb; tolerances for residues. (a) General. Tolerances are established for residues of...

  12. Residues and duality for projective algebraic varieties

    CERN Document Server

    Kunz, Ernst; Dickenstein, Alicia

    2008-01-01

    This book, which grew out of lectures by E. Kunz for students with a background in algebra and algebraic geometry, develops local and global duality theory in the special case of (possibly singular) algebraic varieties over algebraically closed base fields. It describes duality and residue theorems in terms of K�hler differential forms and their residues. The properties of residues are introduced via local cohomology. Special emphasis is given to the relation between residues to classical results of algebraic geometry and their generalizations. The contribution by A. Dickenstein gives applications of residues and duality to polynomial solutions of constant coefficient partial differential equations and to problems in interpolation and ideal membership. D. A. Cox explains toric residues and relates them to the earlier text. The book is intended as an introduction to more advanced treatments and further applications of the subject, to which numerous bibliographical hints are given.

  13. Recovery of transuranics from process residues

    International Nuclear Information System (INIS)

    Gray, J.H.; Gray, L.W.

    1987-01-01

    Process residues are generated at both the Rocky Flats Plant (RFP) and the Savannah River Plant (SRP) during aqueous chemical and pyrochemical operations. Frequently, process operations will result in either impure products or produce residues sufficiently contaminated with transuranics to be nondiscardable as waste. Purification and recovery flowsheets for process residues have been developed to generate solutions compatible with subsequent Purex operations and either solid or liquid waste suitable for disposal. The ''scrub alloy'' and the ''anode heel alloy'' are examples of materials generated at RFP which have been processed at SRP using the developed recovery flowsheets. Examples of process residues being generated at SRP for which flowsheets are under development include LECO crucibles and alpha-contaminated hydraulic oil

  14. 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.

  15. Effect of Group Cognitive Behavioral Couples Therapy on Couple Burnout and Divorce Tendency in Couples

    Directory of Open Access Journals (Sweden)

    M Mohammadi

    2017-02-01

    Full Text Available Background & aim: Couple burnout is one of the phenomena which involve many couples, it is among the main causes of emotional divorce, and without proper management and treatment, and it can lay the ground for formal divorce among couples. Cognitive behavioral couple therapy is one of the existing approaches in the couple therapy field, the efficiency of which has been established for resolving many marital problems. The present study was designed by the aim of investigating the effect of group cognitive behavioral couple therapy on couple burnout and divorce tendency in couples.   Methods: The present research was of applied research type. The research method was semi-empirical with a pretest-posttest with control group design. The research population included all the couples with marital conflict and problems who, after a recall announcement of the researcher, visited the counseling and psychological services center located in Gorgan city in 2014. By using the available sampling method, 20 couples were selected among the volunteer and qualified couples for the research, and they were assigned into experiment and control groups (10 couples per group by random assignment. In the present research, the Pines burnout questionnaire (1996 and divorce tendency scale of Rouswelt, Johnson, and Mouro (1986 were used for gathering the data. After taking the pretest, the group cognitive behavioral couple therapy based on the couple therapy model of Baucom  and colleagues (2008 was held in 10 2-hour weekly sessions for the experiment group couples, while the control group couples received no intervention. The data were analyzed through descriptive statistics method and multivariate covariance analysis (MANCOVA in SPSS v.20. Results: The multivariate covariance analysis results for couple burnout (F= 28.80 and divorce tendency (F= 51.25 suggested that there was a significant difference between the couples of experiment and control groups (P< 0

  16. Effects of moisture content of food waste on residue separation, larval growth and larval survival in black soldier fly bioconversion.

    Science.gov (United States)

    Cheng, Jack Y K; Chiu, Sam L H; Lo, Irene M C

    2017-09-01

    In order to foster sustainable management of food waste, innovations in food waste valorization technologies are crucial. Black soldier fly (BSF) bioconversion is an emerging technology that can turn food waste into high-protein fish feed through the use of BSF larvae. The conventional method of BSF bioconversion is to feed BSF larvae with food waste directly without any moisture adjustment. However, it was reported that difficulty has been experienced in the separation of the residue (larval excreta and undigested material) from the insect biomass due to excessive moisture. In addition to the residue separation problem, the moisture content of the food waste may also affect the growth and survival aspects of BSF larvae. This study aims to determine the most suitable moisture content of food waste that can improve residue separation as well as evaluate the effects of the moisture content of food waste on larval growth and survival. In this study, pre-consumer and post-consumer food waste with different moisture content (70%, 75% and 80%) was fed to BSF larvae in a temperature-controlled rotary drum reactor. The results show that the residue can be effectively separated from the insect biomass by sieving using a 2.36mm sieve, for both types of food waste at 70% and 75% moisture content. However, sieving of the residue was not feasible for food waste at 80% moisture content. On the other hand, reduced moisture content of food waste was found to slow down larval growth. Hence, there is a trade-off between the sieving efficiency of the residue and the larval growth rate. Furthermore, the larval survival rate was not affected by the moisture content of food waste. A high larval survival rate of at least 95% was achieved using a temperature-controlled rotary drum reactor for all treatment groups. The study provides valuable insights for the waste management industry on understanding the effects of moisture content when employing BSF bioconversion for food waste recycling

  17. Improvements in the analytical methodology for the residue determination of the herbicide glyphosate in soils by liquid chromatography coupled to mass spectrometry.

    Science.gov (United States)

    Botero-Coy, A M; Ibáñez, M; Sancho, J V; Hernández, F

    2013-05-31

    The determination of glyphosate (GLY) in soils is of great interest due to the widespread use of this herbicide and the need of assessing its impact on the soil/water environment. However, its residue determination is very problematic especially in soils with high organic matter content, where strong interferences are normally observed, and because of the particular physico-chemical characteristics of this polar/ionic herbicide. In the present work, we have improved previous LC-MS/MS analytical methodology reported for GLY and its main metabolite AMPA in order to be applied to "difficult" soils, like those commonly found in South-America, where this herbicide is extensively used in large areas devoted to soya or maize, among other crops. The method is based on derivatization with FMOC followed by LC-MS/MS analysis, using triple quadrupole. After extraction with potassium hydroxide, a combination of extract dilution, adjustment to appropriate pH, and solid phase extraction (SPE) clean-up was applied to minimize the strong interferences observed. Despite the clean-up performed, the use of isotope labelled glyphosate as internal standard (ILIS) was necessary for the correction of matrix effects and to compensate for any error occurring during sample processing. The analytical methodology was satisfactorily validated in four soils from Colombia and Argentina fortified at 0.5 and 5mg/kg. In contrast to most LC-MS/MS methods, where the acquisition of two transitions is recommended, monitoring all available transitions was required for confirmation of positive samples, as some of them were interfered by unknown soil components. This was observed not only for GLY and AMPA but also for the ILIS. Analysis by QTOF MS was useful to confirm the presence of interferent compounds that shared the same nominal mass of analytes as well as some of their main product ions. Therefore, the selection of specific transitions was crucial to avoid interferences. The methodology developed

  18. Determination of pesticides and veterinary drug residues in food by liquid chromatography-mass spectrometry: A review

    Energy Technology Data Exchange (ETDEWEB)

    Masiá, Ana [Food and Environmental Safety Research Group, Department of Preventive Medicine and Public Health, Food Science, Toxicology and Legal Medicine, University of Valencia, Valencia (Spain); Research Center on Desertification (CIDE, UV-CSIC-GV), Carretera Moncada-Náquera, Moncada (Spain); Suarez-Varela, Maria Morales; Llopis-Gonzalez, Agustin [Unit of Public Health, Hygiene and Environmental Health, Department of Preventive Medicine and Public Health, Food Science, Toxicology and Legal Medicine, University of Valencia, Valencia (Spain); CIBER Epidemiología y Salud Pública (CIBERESP), Madrid (Spain); Center for Advanced Research in Public Health (CSISP-FISABIO), Valencia (Spain); Picó, Yolanda, E-mail: Yolanda.Pico@uv.es [Food and Environmental Safety Research Group, Department of Preventive Medicine and Public Health, Food Science, Toxicology and Legal Medicine, University of Valencia, Valencia (Spain); Research Center on Desertification (CIDE, UV-CSIC-GV), Carretera Moncada-Náquera, Moncada (Spain); CIBER Epidemiología y Salud Pública (CIBERESP), Madrid (Spain)

    2016-09-14

    Monitoring of pesticides and veterinary drug residues is required to enforce legislation and guarantee food safety. Liquid chromatography-mass spectrometry (LC-MS) is the prevailing technique for assessing both types of residues because LC offers a versatile and universal separation mechanism suitable for non-gas chromatography (GC) amenable and the majority of GC-amenable compounds. This characteristic becomes more relevant when LC is coupled to MS because the high sensitivity and specificity of the detector allows to apply generic sample preparation procedures, which simultaneously extract a wide variety of residues with different physico-chemical properties. Determination of metabolites and degradation products, non-target suspected screening of an increasing number of residues, and even unknowns identification are also becoming inherent LC-MS advantages thanks to the latest advances. For routine analysis and, in particular, for official surveillance purposes in food control, analytical methods properly validated following strict guidelines are needed. After a brief introduction and an outline of the legislation applicable around the world, aspects such as improvement of specificity of high-throughput methods, resolution and mass accuracy of identification strategies and quantitative accuracy are critically reviewed in this article. In them, extraction, separation and determination are emphasized. The main objective is to offer an assessment of the state of the art and identify research needs and future trends in determining pesticide and veterinary drug residues in food by LC-MS. - Highlights: • An overview of status and future trends in this field. • Analytical method's compliance with guidelines to ensure reliability. • QuEChERS platform is a referent to extract both, pesticides and veterinary drugs in food. • The progress that liquid chromatography has shown in recent years is revised. • Determination of target, non-target and unknowns is

  19. Residues in the H+ Translocation Site Define the pKa for Sugar Binding to LacY†

    Science.gov (United States)

    Smirnova, Irina; Kasho, Vladimir; Sugihara, Junichi; Choe, Jun-Yong; Kaback, H. Ronald

    2009-01-01

    A remarkably high pKa of approximately 10.5 has been determined for sugar-binding affinity to the lactose permease of Escherichia coli (LacY), indicating that, under physiological conditions, substrate binds to fully protonated LacY. We have now systematically tested site-directed replacements for the residues involved in sugar binding, as well as H+ translocation and coupling, in order to determine which residues may be responsible for this alkaline pKa. Mutations in the sugar-binding site (Glu126, Trp151, Glu269) markedly decrease affinity for sugar but do not alter the pKa for binding. In contrast, replacements for residues involved in H+ translocation (Arg302, Tyr236, His322, Asp240, Glu325, Lys319) exhibit pKa values for sugar binding that are either shifted toward neutral pH or independent of pH. Values for the apparent dissociation constant for sugar binding (Kdapp) increase greatly for all mutants except neutral replacements for Glu325 or Lys319, which are characterized by remarkably high affinity sugar binding (i.e., low Kdapp) from pH 5.5 to pH 11. The pH dependence of the on- and off-rate constants for sugar binding measured directly by stopped-flow fluorometry implicates koff as a major factor for the affinity change at alkaline pH and confirms the effects of pH on Kdapp inferred from steady-state fluorometry. These results indicate that the high pKa for sugar binding by wild-type LacY cannot be ascribed to any single amino acid residue but appears to reside within a complex of residues involved in H+ translocation. There is structural evidence for water bound in this complex, and the water could be the site of protonation responsible for the pH dependence of sugar binding. PMID:19689129

  20. Determination of pesticides and veterinary drug residues in food by liquid chromatography-mass spectrometry: A review

    International Nuclear Information System (INIS)

    Masiá, Ana; Suarez-Varela, Maria Morales; Llopis-Gonzalez, Agustin; Picó, Yolanda

    2016-01-01

    Monitoring of pesticides and veterinary drug residues is required to enforce legislation and guarantee food safety. Liquid chromatography-mass spectrometry (LC-MS) is the prevailing technique for assessing both types of residues because LC offers a versatile and universal separation mechanism suitable for non-gas chromatography (GC) amenable and the majority of GC-amenable compounds. This characteristic becomes more relevant when LC is coupled to MS because the high sensitivity and specificity of the detector allows to apply generic sample preparation procedures, which simultaneously extract a wide variety of residues with different physico-chemical properties. Determination of metabolites and degradation products, non-target suspected screening of an increasing number of residues, and even unknowns identification are also becoming inherent LC-MS advantages thanks to the latest advances. For routine analysis and, in particular, for official surveillance purposes in food control, analytical methods properly validated following strict guidelines are needed. After a brief introduction and an outline of the legislation applicable around the world, aspects such as improvement of specificity of high-throughput methods, resolution and mass accuracy of identification strategies and quantitative accuracy are critically reviewed in this article. In them, extraction, separation and determination are emphasized. The main objective is to offer an assessment of the state of the art and identify research needs and future trends in determining pesticide and veterinary drug residues in food by LC-MS. - Highlights: • An overview of status and future trends in this field. • Analytical method's compliance with guidelines to ensure reliability. • QuEChERS platform is a referent to extract both, pesticides and veterinary drugs in food. • The progress that liquid chromatography has shown in recent years is revised. • Determination of target, non-target and unknowns is covered.

  1. Hole-vibrational coupling in Pentacene thin films detected by UPS

    International Nuclear Information System (INIS)

    Yamame, H.; Fukagawa, H.; Honda, H.; Ono, M.; Okudaira, K.K.; Ueno, N.; Kera, S.; Ishii, H.

    2004-01-01

    Full text:The hole/electron-vibrational coupling plays a crucial rule in the hole/electron transport in organic devices. In this work, fine structure of the highest occupied molecular orbital (HOMO) band in oriented thin films of pentacene on graphite (HOPG) was studied by using high-resolution ultraviolet photoelectron spectroscopy (UPS). Figure 1 shows the comparison of UPS spectra between pentacene thin films (circles) and gas-phase pentacene (dashed line). We observed a very sharp HOMO band, which consists of at least three components, as observed for Cu-phthalocyanine monolayer on HOPG. It is of note that the relative intensities of fine structures are different between the condensed phase and gas phase, while their energy separations are the same for the two phases (∼ 0.17 eV / 1400 cm -1 ). Furthermore, the relative intensity of fine structures showed remarkable dependence on photoelectron-take-off angle. Judging from these results, the observed fine structures in UPS originate from the hole-vibrational (molecular C-C stretching) coupling in pentacene thin films. At the conference, temperature and thickness dependences of UPS will be discussed

  2. 40 CFR 279.59 - Management of residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 26 2010-07-01 2010-07-01 false Management of residues. 279.59 Section 279.59 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES (CONTINUED... Management of residues. Owners and operators who generate residues from the storage, processing, or re...

  3. Residual stress characterization of steel TIG welds by neutron diffraction and by residual magnetic stray field mappings

    Energy Technology Data Exchange (ETDEWEB)

    Stegemann, Robert, E-mail: Robert.Stegemann@bam.de [Bundesanstalt für Materialforschung und -prüfung (BAM), Unter den Eichen 87, 12200 Berlin (Germany); Cabeza, Sandra; Lyamkin, Viktor; Bruno, Giovanni; Pittner, Andreas [Bundesanstalt für Materialforschung und -prüfung (BAM), Unter den Eichen 87, 12200 Berlin (Germany); Wimpory, Robert; Boin, Mirko [HZB Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Kreutzbruck, Marc [Bundesanstalt für Materialforschung und -prüfung (BAM), Unter den Eichen 87, 12200 Berlin (Germany); IKT, University of Stuttgart, Pfaffenwaldring 32, 70569 Stuttgart (Germany)

    2017-03-15

    The residual stress distribution of tungsten inert gas welded S235JRC+C plates was determined by means of neutron diffraction (ND). Large longitudinal residual stresses with maxima around 600 MPa were found. With these results as reference, the evaluation of residual stress with high spatial resolution GMR (giant magneto resistance) sensors was discussed. The experiments performed indicate a correlation between changes in residual stresses (ND) and the normal component of local residual magnetic stray fields (GMR). Spatial variations in the magnetic field strength perpendicular to the welds are in the order of the magnetic field of the earth. - Highlights: • Comparison of magnetic microstructure with neutron diffraction stress analysis. • High spatial resolution magnetic stray field images of hypereutectoid TIG welds. • Spatial variations of the stray fields are below the magnetic field of the earth. • GMR spin valve gradiometer arrays adapted for the evaluation of magnetic microstructures. • Magnetic stray fields are closely linked to microstructure of the material.

  4. Chemical-modification studies of a unique sialic acid-binding lectin from the snail Achatina fulica. Involvement of tryptophan and histidine residues in biological activity.

    Science.gov (United States)

    Basu, S; Mandal, C; Allen, A K

    1988-01-01

    A unique sialic acid-binding lectin, achatininH (ATNH) was purified in single step from the haemolymph of the snail Achatina fulica by affinity chromatography on sheep submaxillary-gland mucin coupled to Sepharose 4B. The homogeneity was checked by alkaline gel electrophoresis, immunodiffusion and immunoelectrophoresis. Amino acid analysis showed that the lectin has a fairly high content of acidic amino acid residues (22% of the total). About 1.3% of the residues are half-cystine. The glycoprotein contains 21% carbohydrate. The unusually high content of xylose (6%) and fucose (2.7%) in this snail lectin is quite interesting. The protein was subjected to various chemical modifications in order to detect the amino acid residues and carbohydrate residues present in its binding sites. Modification of tyrosine and arginine residues did not affect the binding activity of ATNH; however, modification of tryptophan and histidine residues led to a complete loss of its biological activity. A marked decrease in the fluorescence emission was found as the tryptophan residues of ATNH were modified. The c.d. data showed the presence of an identical type of conformation in the native and modified agglutinin. The modification of lysine and carboxy residues partially diminished the biological activity. The activity was completely lost after a beta-elimination reaction, indicating that the sugars are O-glycosidically linked to the glycoprotein's protein moiety. This result confirms that the carbohydrate moiety also plays an important role in the agglutination property of this lectin. Images Fig. 3. PMID:3140796

  5. Detection and assignment of phosphoserine and phosphothreonine residues by {sup 13}C-{sup 31}P spin-echo difference NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    McIntosh, Lawrence P., E-mail: mcintosh@chem.ubc.ca; Kang, Hyun-Seo; Okon, Mark [University of British Columbia, Department of Biochemistry (Canada); Nelson, Mary L.; Graves, Barbara J. [University of Utah, Department of Oncological Sciences, Huntsman Cancer Institute (United States); Brutscher, Bernhard [CNRS, CEA, UJF, Institut de Biologie Structurale Jean-Pierre Ebel (France)], E-mail: bernhard.brutscher@ibs.fr

    2009-01-15

    A simple NMR method is presented for the identification and assignment of phosphorylated serine and threonine residues in {sup 13}C- or {sup 13}C/{sup 15}N-labeled proteins. By exploiting modest ({approx}5 Hz) 2- and 3-bond {sup 13}C-{sup 31}P scalar couplings, the aliphatic {sup 1}H-{sup 13}C signals from phosphoserines and phosphothreonines can be detected selectively in a {sup 31}P spin-echo difference constant time {sup 1}H-{sup 13}C HSQC spectrum. Inclusion of the same {sup 31}P spin-echo element within the {sup 13}C frequency editing period of an intraHNCA or HN(CO)CA experiment allows identification of the amide {sup 1}H{sup N} and {sup 15}N signals of residues (i) for which {sup 13}C{sup {alpha}}(i) or {sup 13}C{sup {alpha}}(i - 1), respectively, are coupled to a phosphate. Furthermore, {sup 31}P resonance assignments can be obtained by applying selective low power cw {sup 31}P decoupling during the spin-echo period. The approach is demonstrated using a PNT domain containing fragment of the transcription factor Ets-1, phosphorylated in vitro at Thr38 and Ser41 with the MAP kinase ERK2.

  6. Some implications for mirror research of the coupling between fusion economics and fusion physics

    International Nuclear Information System (INIS)

    Post, R.F.

    1980-01-01

    The thesis is made that physics understanding and innovation represent two of the most important ingredients of any program to develop fusion power. In this context the coupling between these and the econmics of yet-to-be realized fusion power plants is explored. The coupling is two-way: realistic evaluations of the economic (and environmental) requirements for fusion power systems can influence the physics objectives of present-day fusion research programs; physics understanding and innovative ideas can favorably impact the future economics of fusion power systems. Of equal importance is the role that physics/innovation can have on the time scale for the first practical demonstration of fusion power. Given the growing worldwide need for long-term solutions to the problem of energy it is claimed to be crucial that fusion research be carried out on a broad base and in a spirit that both facilitates the growth of physics understanding and fosters innovation. Developing this theme, some examples of mirror-based fusion system concepts are given that illustrate the coupling here described

  7. RESIDUAL RISK ASSESSMENT: ETHYLENE OXIDE ...

    Science.gov (United States)

    This document describes the residual risk assessment for the Ethylene Oxide Commercial Sterilization source 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 Ethylene Oxide Commercial Sterilization source category. The results of this analyiss will assist EPA in determining whether a residual risk rule for this source category is appropriate.

  8. On the parametrization of the Δ residue function

    International Nuclear Information System (INIS)

    Vasan, S.S.

    1976-01-01

    The complex residues at the Δ(1236) and Δ(1950) poles in the relevant partial-wave amplitudes provide information on the behaviour of the Δ Regge residue function in the resonance region u>0. Attempts to incorporate this information in parametrizations of the residue by functions that are real on the real u-axis result in residues which have unsatisfactory behaviour in the region u 2 . The choice of complex functions for the trajectory and residue removes this undesirable feature and provides a better representation of the residue in the resonance region, suggesting that complex parametrizations would be better suited to Regge analyses of near-backward scattering. (Auth.)

  9. Parametrization of the. delta. residue function. [Complex functions

    Energy Technology Data Exchange (ETDEWEB)

    Vasan, S S [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA). Dept. of Physics

    1976-04-19

    The complex residues at the ..delta..(1236) and ..delta..(1950) poles in the relevant partial-wave amplitudes provide information on the behaviour of the ..delta.. Regge residue function in the resonance region u>0. Attempts to incorporate this information in parametrizations of the residue by functions that are real on the real u-axis result in residues which have unsatisfactory behaviour in the region u<1GeV/sup 2/. The choice of complex functions for the trajectory and residue removes this undesirable feature and provides a better representation of the residue in the resonance region, suggesting that complex parametrizations would be better suited to Regge analyses of near-backward scattering.

  10. Long-term stabilization of crop residues and soil organic carbon affected by residue quality and initial soil pH.

    Science.gov (United States)

    Wang, Xiaojuan; Butterly, Clayton R; Baldock, Jeff A; Tang, Caixian

    2017-06-01

    Residues differing in quality and carbon (C) chemistry are presumed to contribute differently to soil pH change and long-term soil organic carbon (SOC) pools. This study examined the liming effect of different crop residues (canola, chickpea and wheat) down the soil profile (0-30cm) in two sandy soils differing in initial pH as well as the long-term stability of SOC at the amended layer (0-10cm) using mid-infrared (MIR) and solid-state 13 C nuclear magnetic resonance (NMR) spectroscopy. A field column experiment was conducted for 48months. Chickpea- and canola-residue amendments increased soil pH at 0-10cm in the Podzol by up to 0.47 and 0.36units, and in the Cambisol by 0.31 and 0.18units, respectively, at 48months when compared with the non-residue-amended control. The decomposition of crop residues was greatly retarded in the Podzol with lower initial soil pH during the first 9months. The MIR-predicted particulate organic C (POC) acted as the major C sink for residue-derived C in the Podzol. In contrast, depletion of POC and recovery of residue C in MIR-predicted humic organic C (HOC) were detected in the Cambisol within 3months. Residue types showed little impact on total SOC and its chemical composition in the Cambisol at 48months, in contrast to the Podzol. The final HOC and resistant organic C (ROC) pools in the Podzol amended with canola and chickpea residues were about 25% lower than the control. This apparent priming effect might be related to the greater liming effect of these two residues in the Podzol. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. 40 CFR 279.67 - Management of residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 26 2010-07-01 2010-07-01 false Management of residues. 279.67 Section 279.67 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES (CONTINUED... for Energy Recovery § 279.67 Management of residues. Burners who generate residues from the storage or...

  12. 40 CFR 279.47 - Management of residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 26 2010-07-01 2010-07-01 false Management of residues. 279.47 Section 279.47 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES (CONTINUED... Management of residues. Transporters who generate residues from the storage or transport of used oil must...

  13. A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors

    DEFF Research Database (Denmark)

    Fidom, Kimberley; Isberg, Vignir; Hauser, Alexander Sebastian

    2015-01-01

    and receptor residue pairs, from crystal structure complexes. We describe the procedure to collect a library with more than 250 fragments covering 29 residue positions within the generic transmembrane binding pocket. We describe how the library fragments are recombined and inferred to build pharmacophores...... for new targets. A validating retrospective virtual screening of histamine H1 and H3 receptor pharmacophores yielded area-under-the-curves of 0.88 and 0.82, respectively. The fragment-based method has the unique advantage that it can be applied to targets for which no (homologous) crystal structures...... or ligands are known. 47% of the class A G protein-coupled receptors can be targeted with at least four-element pharmacophores. The fragment libraries can also be used to grow known ligands or for rotamer refinement of homology models. Researchers can download the complete fragment library or a subset...

  14. Fluorescence imaging to quantify crop residue cover

    Science.gov (United States)

    Daughtry, C. S. T.; Mcmurtrey, J. E., III; Chappelle, E. W.

    1994-01-01

    Crop residues, the portion of the crop left in the field after harvest, can be an important management factor in controlling soil erosion. Methods to quantify residue cover are needed that are rapid, accurate, and objective. Scenes with known amounts of crop residue were illuminated with long wave ultraviolet (UV) radiation and fluorescence images were recorded with an intensified video camera fitted with a 453 to 488 nm band pass filter. A light colored soil and a dark colored soil were used as background for the weathered soybean stems. Residue cover was determined by counting the proportion of the pixels in the image with fluorescence values greater than a threshold. Soil pixels had the lowest gray levels in the images. The values of the soybean residue pixels spanned nearly the full range of the 8-bit video data. Classification accuracies typically were within 3(absolute units) of measured cover values. Video imaging can provide an intuitive understanding of the fraction of the soil covered by residue.

  15. Assessing potential forest and steel inter-industry residue utilisation by sequential chemical extraction

    Energy Technology Data Exchange (ETDEWEB)

    Makela, M.

    2012-10-15

    Traditional process industries in Finland and abroad are facing an emerging waste disposal problem due recent regulatory development which has increased the costs of landfill disposal and difficulty in acquiring new sites. For large manufacturers, such as the forest and ferrous metals industries, symbiotic cooperation of formerly separate industrial sectors could enable the utilisation waste-labeled residues in manufacturing novel residue-derived materials suitable for replacing commercial virgin alternatives. Such efforts would allow transforming the current linear resource use and disposal models to more cyclical ones and thus attain savings in valuable materials and energy resources. The work described in this thesis was aimed at utilising forest and carbon steel industry residues in the experimental manufacture of novel residue-derived materials technically and environmentally suitable for amending agricultural or forest soil properties. Single and sequential chemical extractions were used to compare the pseudo-total concentrations of trace elements in the manufactured amendment samples to relevant Finnish statutory limit values for the use of fertilizer products and to assess respective potential availability under natural conditions. In addition, the quality of analytical work and the suitability of sequential extraction in the analysis of an industrial solid sample were respectively evaluated through the analysis of a certified reference material and by X-ray diffraction of parallel sequential extraction residues. According to the acquired data, the incorporation of both forest and steel industry residues, such as fly ashes, lime wastes, green liquor dregs, sludges and slags, led to amendment liming capacities (34.9-38.3%, Ca equiv., d.w.) comparable to relevant commercial alternatives. Only the first experimental samples showed increased concentrations of pseudo-total cadmium and chromium, of which the latter was specified as the trivalent Cr(III). Based on

  16. Vesícula residual

    Directory of Open Access Journals (Sweden)

    Júlio C. U. Coelho

    Full Text Available Our objective is to report three patients with recurrent severe upper abdominal pain secondary to residual gallbladder. All patients had been subjected to cholecystectomy from 1 to 20 years before. The diagnosis was established after several episodes of severe upper abdominal pain by imaging exams: ultrasonography, tomography, or endoscopic retrograde cholangiography. Removal of the residual gallbladder led to complete resolution of symptoms. Partial removal of the gallbladder is a very rare cause of postcholecystectomy symptoms.

  17. Polychlorinated Biphenyls (PCB) Residue Effects Database

    Data.gov (United States)

    U.S. Environmental Protection Agency — The PCB Residue Effects (PCBRes) Database was developed to assist scientists and risk assessors in correlating PCB and dioxin-like compound residues with toxic...

  18. Tune splitting in the presence of linear coupling

    International Nuclear Information System (INIS)

    Parzen, G.

    1991-01-01

    The presence of random skew quadrupole field errors will couple the x and y motions. The x and y motions are then each given by the sum of 2 normal modes with the tunes v 1 and v 2 , which may differ appreciably from v x and v y , the unperturbed tunes. This is often called tune splitting since |v 1 - v 2 | is usually larger than |v x - v y |. This tune splitting may be large in proton accelerators using superconducting magnets, because of the relatively large random skew quadrupole field errors that are expected in these magnets. This effect is also increased by the required insertions in proton colliders which generate large β-functions in the insertion region. This tune splitting has been studied in the RHIC accelerator. For RHIC, a tune splitting as large as 0.2 was found in one worse case. A correction system has been developed for correcting this large tune splitting which uses two families of skew quadrupole correctors. It has been found that this correction system corrects most of the large tune splitting, but a residual tune splitting remains that is still appreciable. This paper discusses the corrections to this residual time

  19. Pesticide residues in locally available cereals and vegetables

    International Nuclear Information System (INIS)

    Cunanan, S.A.; Santos, F.L.; Bonoan, L.S.

    1976-03-01

    Vegetable samples (pechay, cabbage, lettuce, green beans and tomatoes) bought from public markets in the Metro Manila area were analyzed for pesticide residues using gas chromatography. The samples analyzed in 1968-69 contained high levels of chlorinated pesticides such as DDT, Aldrin, Endrin, and Thiodan, while in the samples analyzed in January 1976, no chlorinated and organophosphate pesticides were detected. Cereal samples (rice, corn and sorghum) were obtained from the National Grains Authority and analyzed for pesticide residues and bromine residues. Total bromine residues was determined by neutron activation analysis. In most of the samples analyzed, the concentrations of pesticide residues were below the tolerance levels set by the FAO/WHO Committee on Pesticide Residues in Foods. An exception was one rice sample from Thailand, the bromine residue content (110ppm) of which exceeds the tolerance level of 50ppm

  20. 40 CFR 721.9635 - Terpene residue distillates.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Terpene residue distillates. 721.9635... Substances § 721.9635 Terpene residue distillates. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as terpene residue distillates (PMN P-96-897...

  1. Efficient particle filtering through residual nudging

    KAUST Repository

    Luo, Xiaodong

    2013-05-15

    We introduce an auxiliary technique, called residual nudging, to the particle filter to enhance its performance in cases where it performs poorly. The main idea of residual nudging is to monitor and, if necessary, adjust the residual norm of a state estimate in the observation space so that it does not exceed a pre-specified threshold. We suggest a rule to choose the pre-specified threshold, and construct a state estimate accordingly to achieve this objective. Numerical experiments suggest that introducing residual nudging to a particle filter may (substantially) improve its performance, in terms of filter accuracy and/or stability against divergence, especially when the particle filter is implemented with a relatively small number of particles. © 2013 Royal Meteorological Society.

  2. Use of ultrasound in petroleum residue upgradation

    Energy Technology Data Exchange (ETDEWEB)

    Sawarkar, A.N.; Pandit, A.B.; Samant, S.D.; Joshi, J.B. [Mumbai Univ., Mumbai (India). Inst. of Chemical Technology

    2009-06-15

    The importance of bottom-of-the barrel upgrading has increased in the current petroleum refining scenario because of the progressively heavier nature of crude oil. Heavy residues contain large concentrations of metals such as vanadium and nickel which foul catalysts and reduce the potential effect of residue fluidized catalytic cracking. This study showed that the cavitational energy induced by ultrasound be be successfully used to upgrade hydrocarbon mixtures. Conventional processes for the upgrading of residual feedstocks, such as thermal cracking and catalytic cracking, were carried out in the temperature range of 400-520 degrees C. Experiments were performed on 2 vacuum residues, Arabian mix vacuum residue (AMVR) and Bombay high vacuum residue (BHVR) and 1 Haldia asphalt (HA). These were subjected to acoustic cavitation for different reaction times from 15 to 120 minutes at ambient temperature and pressure. Two acoustic cavitation devices were compared, namely the ultrasonic bath and ultrasonic horn. In particular, this study compared the ability of these 2 devices to upgrade the petroleum residues to lighter, more value-added products. Different surfactants were used to examine the effect of ultrasound on upgrading the residue when emulsified in water. In order to better understand the reaction mechanism, a kinetic model was developed based on the constituents of the residue. The ultrasonic horn was found to be more effective in bringing about the upgrading than ultrasonic bath. The study also showed that the acoustic cavitation of the aqueous emulsified hydrocarbon mixture could reduce the asphaltenes content to a greater extent than the acoustic cavitation of non-emulsified hydrocarbon mixture. 20 refs., 11 tabs., 17 figs.

  3. Modelling cell cycle synchronisation in networks of coupled radial glial cells.

    Science.gov (United States)

    Barrack, Duncan S; Thul, Rüdiger; Owen, Markus R

    2015-07-21

    Radial glial cells play a crucial role in the embryonic mammalian brain. Their proliferation is thought to be controlled, in part, by ATP mediated calcium signals. It has been hypothesised that these signals act to locally synchronise cell cycles, so that clusters of cells proliferate together, shedding daughter cells in uniform sheets. In this paper we investigate this cell cycle synchronisation by taking an ordinary differential equation model that couples the dynamics of intracellular calcium and the cell cycle and extend it to populations of cells coupled via extracellular ATP signals. Through bifurcation analysis we show that although ATP mediated calcium release can lead to cell cycle synchronisation, a number of other asynchronous oscillatory solutions including torus solutions dominate the parameter space and cell cycle synchronisation is far from guaranteed. Despite this, numerical results indicate that the transient and not the asymptotic behaviour of the system is important in accounting for cell cycle synchronisation. In particular, quiescent cells can be entrained on to the cell cycle via ATP mediated calcium signals initiated by a driving cell and crucially will cycle in near synchrony with the driving cell for the duration of neurogenesis. This behaviour is highly sensitive to the timing of ATP release, with release at the G1/S phase transition of the cell cycle far more likely to lead to near synchrony than release during mid G1 phase. This result, which suggests that ATP release timing is critical to radial glia cell cycle synchronisation, may help us to understand normal and pathological brain development. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Particle hole excitations coupled to complex states in heavy-ion collisions

    International Nuclear Information System (INIS)

    Jolos, R.V.; Schmidt, R.

    1982-01-01

    The excitation of uncorrelated 1p-1h states in one nucleus due to the action of the time-dependent mean field of the other nucleus was studied earlier. No statistical assumptions or average procedures were made. Such a mechanism can be responsible for an appreciable excitation of the two nuclei during the short approach phase of the reaction (E* approximately> 100 MeV). The reversibility of the equations of motion leads to a deexcitation of the initially stored excitation energy into that of the relative motion for later times. This feedback behaviour of the internal excitation energy which results in particular to the deexcitation of high energetic 1p-1h pairs is probably not realistic due to the coupling of this states to more complex states with high density. It is studied the influence of this coupling due to the residual interaction between the nucleons on the dynamics of two colliding heavy ions

  5. Escherichia coli DnaE Polymerase Couples Pyrophosphatase Activity to DNA Replication.

    Directory of Open Access Journals (Sweden)

    Fabio Lapenta

    Full Text Available DNA Polymerases generate pyrophosphate every time they catalyze a step of DNA elongation. This elongation reaction is generally believed as thermodynamically favoured by the hydrolysis of pyrophosphate, catalyzed by inorganic pyrophosphatases. However, the specific action of inorganic pyrophosphatases coupled to DNA replication in vivo was never demonstrated. Here we show that the Polymerase-Histidinol-Phosphatase (PHP domain of Escherichia coli DNA Polymerase III α subunit features pyrophosphatase activity. We also show that this activity is inhibited by fluoride, as commonly observed for inorganic pyrophosphatases, and we identified 3 amino acids of the PHP active site. Remarkably, E. coli cells expressing variants of these catalytic residues of α subunit feature aberrant phenotypes, poor viability, and are subject to high mutation frequencies. Our findings indicate that DNA Polymerases can couple DNA elongation and pyrophosphate hydrolysis, providing a mechanism for the control of DNA extension rate, and suggest a promising target for novel antibiotics.

  6. Western Canadian wood residue production and consumption trends

    International Nuclear Information System (INIS)

    McCloy, B.

    2006-01-01

    This presentation considered various trends in western Canadian wood residue production and consumption. Potential markets for wood residue products were also discussed. Trends were reviewed by province for the years 2000-2004. British Columbia (BC) is currently the largest producer of residue in the country, and also retains the largest surpluses of bark, sawdust and shavings. Wood residues in BC are used in pulp and plywood mill production, as well as in the creation of particleboard and MDF. Surplus mill wood residue production in the province has greatly increased due to the Mountain Pine Beetle (MPB) infestation, which has in turn spurred expansion of the BC interior sawmill industry. The infestation has also resulted in a glut of pulp chips. Current wood residue products in Alberta are mostly used in pulp mill combined heat and power (CHP) systems, as well as for wood pellet production and the creation of particleboard and MDF. It was noted that surplus residues are rapidly declining in the province. Saskatchewan's wood residue storage piles are estimated to contain 2,900,000 BDt, while Manitoba surpluses are relatively minor. It was suggested that high natural gas prices have increased the payback on wood energy systems to approximately 2 years. The value of wood residue is now greater than $100/BDt as a substitute for natural gas once the wood energy system has been fully depreciated. Sawmills may now wish to consider equipping themselves to sell wood residue products, as most sawmills only require 20 per cent of their residues for heating purposes. It was concluded that markets for hog fuel wood pellets should be developed in Canada and internationally. Future markets may also develop if natural gas currently used in pulp mill power boilers and lime kilns is replaced with wood residue energy systems. refs., tabs., figs

  7. Crucial roles of NGF in dorsal horn plasticity in partially deafferentated cats.

    Science.gov (United States)

    Liu, Jia; Chen, Shan-Shan; Dan, Qi-Qin; Rong, Rong; Zhou, Xue; Zhang, Lian-Feng; Wang, Ting-Hua

    2011-04-01

    Though exogenous nerve growth factor (NGF) has been implicated in spinal cord plasticity, whether endogenous NGF plays a crucial role has not been established in vivo. This study investigated first the role of endogenous NGF in spinal dorsal horn (DH) plasticity following removal of L1-L5 and L7-S2 dorsal root ganglions (DRGs) in cats. Co-culture of chick embryo DRG with DH condition media, protein band fishing by cells as well as western blot showed that NGF could promote neurite growth in vitro. Immunohistochemistry and in situ hybridization technique revealed an increase in the NGF and NGF mRNA immunoreactive cells in the DH after partial deafferentation. Lastly, after blocking with NGF antibody, choleragen subunit B horseradish peroxidase (CB-HRP) tracing showed a reduction in the neuronal sprouting observed in the DH. Our results demonstrated that in the cat, endogenous NGF plays a crucial role in DH plasticity after partial deafferentation.

  8. Determining the effect of cartridge case coatings on GSR using post-fire priming cup residue.

    Science.gov (United States)

    Terry, Molly; Fookes, Barry; Bridge, Candice M

    2017-07-01

    Ammunition is typically composed of a lead-based priming mixture which contributes to the characteristics most commonly used for the identification of gunshot residue (GSR). Due to the health risks often associated with lead, the use of lead-free primers in ammunitions is becoming more popular. Thus, the presence of GSR is becoming more difficult to discern based on the traditional means, i.e. the presence of lead (Pb), barium (Ba), and antimony (Sb). While research has been conducted on the differences between lead-based and lead-free muzzle discharge residue, few have researched other components of ammunition which may lead to other means of characterizing GSR. This research, therefore, covers that gap by focusing on the priming cup present in ammunition and the residue which may originate from it, that can contribute to muzzle discharge residue. In this study, a lead-based and a lead-free ammunition from four different manufacturers were chosen. The cartridges were fired using a Glock 17, 9mm Parabellum, collected post-fire, and subsequently de-primed resulting in the removal of the anvil. The GSR present on the anvils and cups was analyzed using scanning electron microscopy coupled with energy dispersive x-ray spectrometry (SEM-EDX). The data was then processed using unit vector analysis for normalization and analyzed using principal component analysis (PCA) and linear discriminant analysis (LDA). This data was then used to determine the components of the cartridge case which contribute to GSR and develop a method of characterization between lead-free and lead-based ammunition. Such a method will improve the detection of GSR by strengthening the criteria of identification. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. From the instantia crucis to the crucial experiment: different perspectives in philosophy and science

    Directory of Open Access Journals (Sweden)

    Anabel Cardoso Raicik

    2017-12-01

    Full Text Available The existence and meaning of crucial experiments are issues that do not hold consensus in science and the philosophy of science. Duhem, Popper and Lakatos, for example, present antagonistic positions among themselves and even in relation to the idea of instantia crucis made explicit by Francis Bacon in the Novum Organum. This article aims at rescuing the Baconian definition, recognizing that it is part of a distinct philosophical position of contemporary theses, and discussing some conceptions of crucial experiment both by philosophers of science and by some scholars, such as Newton. Also, point out some reflections for the teaching of sciences.

  10. Persistence of pirimiphos methyl residues in stored wheat

    International Nuclear Information System (INIS)

    Zennouche, B.; Bennaceur, M.

    1991-03-01

    The persistence of 14C pirimiphos methyl in stored wheat was investigated under local conditions during a storage period of 6 months. Surface, methanol extractable and bound residues were quantified. There was a gradual increase in the surface residues over the storage period. 27,97% of the applied amount was found in the surface residues and 54,16% in the extractable and bound residues one month after treatment. After 6 months storage, about 17,8% of the total quantity of the applied pirimiphos methyl remained on the surface and about 58,6% was present in the grains (extractable and bound residues). During cooking 10,91% of the extractable and bound residues were lost

  11. Modulating Transmembrane α-Helix Interactions through pH-Sensitive Boundary Residues.

    Science.gov (United States)

    Ng, Derek P; Deber, Charles M

    2016-08-09

    Changes in pH can alter the structure and activity of proteins and may be used by the cell to control molecular function. This coupling can also be used in non-native applications through the design of pH-sensitive biomolecules. For example, the pH (low) insertion peptide (pHLIP) can spontaneously insert into a lipid bilayer when the pH decreases. We have previously shown that the α-helicity and helix-helix interactions of the TM2 α-helix of the proteolipid protein (PLP) are sensitive to the local hydrophobicity at its C-terminus. Given that there is an ionizable residue (Glu-88) at the C-terminus of this transmembrane (TM) segment, we hypothesized that changing the ionization state of this residue through pH may alter the local hydrophobicity of the peptide enough to affect both its secondary structure and helix-helix interactions. To examine this phenomenon, we synthesized peptide analogues of the PLP TM2 α-helix (wild-type sequence (66)AFQYVIYGTASFFFLYGALLLAEGF(90)). Using circular dichroism and Förster resonance energy transfer in the membrane-mimetic detergent sodium dodecyl sulfate, we found that a decrease in pH increases both peptide α-helicity and the extent of self-association. This pH-dependent effect is due specifically to the presence of Glu-88 at the C-terminus. Additional experiments in which Phe-90 was mutated to residues of varying hydrophobicities indicated that the strength of this effect is dependent on the local hydrophobicity near Glu-88. Our results have implications for the design of TM peptide switches and improve our understanding of how membrane protein structure and activity can be regulated through local molecular environmental changes.

  12. Pesticide residues in birds and mammals

    Science.gov (United States)

    Stickel, L.F.; Edwards, C.A.

    1973-01-01

    SUMMARY: Residues of organochlorine pesticides and their breakdown products are present in the tissues of essentially all wild birds throughout the world. These chemicals accumulate in fat from a relatively small environmental exposure. DDE and dieldrin are most prevalent. Others, such as heptachlor epoxide, chlordane, endrin, and benzene hexachloride also occur, the quantities and kinds generally reflecting local or regional use. Accumulation may be sufficient to kill animals following applications for pest control. This has occurred in several large-scale programmes in the United States. Mortality has also resulted from unintentional leakage of chemical from commercial establishments. Residues may persist in the environment for many years, exposing successive generations of animals. In general, birds that eat other birds, or fish, have higher residues than those that eat seeds and vegetation. The kinetic processes of absorption, metabolism, storage, and output differ according to both kind of chemical and species of animal. When exposure is low and continuous, a balance between intake and excretion may be achieved. Residues reach a balance at an approximate animal body equilibrium or plateau; the storage is generally proportional to dose. Experiments with chickens show that dieldrin and heptachlor epoxide have the greatest propensity for storage, endrin next, then DDT, then lindane. The storage of DDT was complicated by its metabolism to DDE and DDD, but other studies show that DDE has a much greater propensity for storage than either DDD or DDT. Methoxychlor has little cumulative capacity in birds. Residues in eggs reflect and parallel those in the parent bird during accumulation, equilibrium, and decline when dosage is discontinued. Residues with the greatest propensity for storage are also lost most slowly. Rate of loss of residues can be modified by dietary components and is speeded by weight loss of the animal. Under sublethal conditions of continuous

  13. Carbaryl residues in maize and processed products

    International Nuclear Information System (INIS)

    Qureshi, M.J.; Sattar, A. Jr.; Naqvi, M.H.

    1981-01-01

    Carbaryl residues in two local maize varieties were determined using a colorimetric method. No significant differences were observed for residues of the two varieties which ranged between 12.0 to 13.75 mg/kg in the crude oil, and averaged 1.04 and 0.67 mg/kg in the flour and cake respectively. In whole maize plants, carbaryl residues declined to approximately 2 mg/kg 35 days after treatment. Cooking in aqueous, oil or aqueous-oil media led to 63-83% loss of carbaryl residues, after 30 minutes. (author)

  14. Path coupling and aggregate path coupling

    CERN Document Server

    Kovchegov, Yevgeniy

    2018-01-01

    This book describes and characterizes an extension to the classical path coupling method applied to statistical mechanical models, referred to as aggregate path coupling. In conjunction with large deviations estimates, the aggregate path coupling method is used to prove rapid mixing of Glauber dynamics for a large class of statistical mechanical models, including models that exhibit discontinuous phase transitions which have traditionally been more difficult to analyze rigorously. The book shows how the parameter regions for rapid mixing for several classes of statistical mechanical models are derived using the aggregate path coupling method.

  15. A single arginine residue is required for the interaction of the electron transferring flavoprotein (ETF) with three of its dehydrogenase partners.

    Science.gov (United States)

    Parker, Antony R

    2003-12-01

    The interaction of several dehydrogenases with the electron transferring flavoprotein (ETF) is a crucial step required for the successful transfer of electrons into the electron transport chain. The exact determinants regarding the interaction of ETF with its dehydrogenase partners are still unknown. Chemical modification of ETF with arginine-specific reagents resulted in the loss, to varying degrees, of activity with medium chain acyl-coenzyme A dehydrogenase (MCAD). The kinetic profiles showed the inactivations followed pseudo-first-order kinetics for all reagents used. For activity with MCAD, maximum inactivation of ETF was accomplished by 2,3-butanedione (4% residual activity after 120 min) and it was shown that modification of one arginine residue was responsible for the inactivation. Almost 100% restoration of this ETF activity was achieved upon incubation with free arginine. However, the same 2,3-butanedione modified ETF only possessed decreased activity with dimethylglycine-(DMGDH, 44%) and sarcosine- (SDH, 27%) dehydrogenases unlike the abolition with MCAD. Full protection of ETF from arginine modification by 2,3-butanedione was achieved using substrate-protected DMGDH, MCAD and SDH respectively. Cross-protection studies of ETF with the three dehydrogenases implied use of the same single arginine residue in the binding of all three dehydrogenases. These results lead us to conclude that this single arginine residue is essential in the binding of the ETF to MCAD, but only contributes partially to the binding of ETF to SDH and DMGDH and thus, the determinants of the dehydrogenase binding sites overlap but are not identical.

  16. Finite Element Analysis of Biot’s Consolidation with a Coupled Nonlinear Flow Model

    Directory of Open Access Journals (Sweden)

    Yue-bao Deng

    2016-01-01

    Full Text Available A nonlinear flow relationship, which assumes that the fluid flow in the soil skeleton obeys the Hansbo non-Darcian flow and that the coefficient of permeability changes with void ratio, was incorporated into Biot’s general consolidation theory for a consolidation simulation of normally consolidated soft ground with or without vertical drains. The governing equations with the coupled nonlinear flow model were presented first for the force equilibrium condition and then for the continuity condition. Based on the weighted residual method, the finite element (FE formulations were then derived, and an existing FE program was modified accordingly to take the nonlinear flow model into consideration. Comparative analyses using established theoretical solutions and numerical solutions were completed, and the results were satisfactory. On this basis, we investigated the effect of the coupled nonlinear flow on consolidation development.

  17. Quantification, confirmation and screening capability of UHPLC coupled to triple quadrupole and hybrid quadrupole time-of-flight mass spectrometry in pesticide residue analysis.

    Science.gov (United States)

    Grimalt, Susana; Sancho, Juan V; Pozo, Oscar J; Hernández, Félix

    2010-04-01

    The potential of three mass spectrometry (MS) analyzers (triple quadrupole, QqQ; time of flight, TOF; and quadrupole time of flight, QTOF) has been investigated and compared for quantification, confirmation and screening purposes in pesticide residue analysis of fruit and vegetable samples. For this purpose, analytical methodology for multiresidue determination of 11 pesticides, taken as a model, has been developed and validated in nine food matrices for the three mass analyzers coupled to ultra high pressure liquid chromatography. In all cases, limits of quantification around 0.01 mg/kg were reached, fulfilling the most restrictive case of baby-food analysis. Regarding absolute sensitivity, the lower limits of detection were obtained, as expected, for QqQ (100 fg), whereas slightly higher limits (300 fg) were obtained for both TOF and QTOF. Confirmative capacity of each analyzer was studied for each analyte based on the identification points (IPs) criterion, useful for a comprehensive comparison. QTOF mass analyzer showed the highest confirmatory capacity, although QqQ normally led to sufficient number of IPs, even at lower concentration levels. The potential of TOF MS was also investigated for screening purposes. To this aim, around 50 commercial fruits and vegetables samples were analyzed, searching for more than 400 pesticides. TOF MS proved to be an attractive analytical tool for rapid detection and reliable identification of a large number of pesticides thanks to the full spectrum acquisition at accurate mass with satisfactory sensitivity. This process is readily boosted when combined with specialized software packages, together with theoretical exact mass databases. Several pesticides (e.g. carbendazim in citrus and indoxacarb in grape) were detected in the samples. Further unequivocal confirmation of the identity was performed using reference standards and/or QTOF MS/MS experiments. Copyright 2010 John Wiley & Sons, Ltd.

  18. Residual analysis for spatial point processes

    DEFF Research Database (Denmark)

    Baddeley, A.; Turner, R.; Møller, Jesper

    We define residuals for point process models fitted to spatial point pattern data, and propose diagnostic plots based on these residuals. The techniques apply to any Gibbs point process model, which may exhibit spatial heterogeneity, interpoint interaction and dependence on spatial covariates. Ou...... or covariate effects. Q-Q plots of the residuals are effective in diagnosing interpoint interaction. Some existing ad hoc statistics of point patterns (quadrat counts, scan statistic, kernel smoothed intensity, Berman's diagnostic) are recovered as special cases....

  19. Evaluation of heavy metals in hazardous automobile shredder residue thermal residue and immobilization with novel nano-size calcium dispersed reagent.

    Science.gov (United States)

    Lee, Chi-Hyeon; Truc, Nguyen Thi Thanh; Lee, Byeong-Kyu; Mitoma, Yoshiharu; Mallampati, Srinivasa Reddy

    2015-10-15

    This study was conducted to synthesize and apply a nano-size calcium dispersed reagent as an immobilization material for heavy metal-contaminated automobile shredder residues (ASR) dust/thermal residues in dry condition. Simple mixing with a nanometallic Ca/CaO/PO4 dispersion mixture immobilized 95-100% of heavy metals in ASR dust/thermal residues (including bottom ash, cavity ash, boiler and bag filter ash). The quantity of heavy metals leached from thermal residues after treatment by nanometallic Ca/CaO/PO4 was lower than the Korean standard regulatory limit for hazardous waste landfills. The morphology and elemental composition of the nanometallic Ca/CaO-treated ASR residue were characterized by field emission scanning election microscopy combined with electron dispersive spectroscopy (FE-SEM/EDS). The results indicated that the amounts of heavy metals detectable on the ASR thermal residue surface decreased and the Ca/PO4 mass percent increased. X-ray diffraction (XRD) pattern analysis indicated that the main fraction of enclosed/bound materials on ASR residue included Ca/PO4- associated crystalline complexes, and that immobile Ca/PO4 salts remarkably inhibited the desorption of heavy metals from ASR residues. These results support the potential use of nanometallic Ca/CaO/PO4 as a simple, suitable and highly efficient material for the gentle immobilization of heavy metals in hazardous ASR thermal residue in dry condition. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Contributions of non-intrusive coupling in nonlinear structural mechanics

    International Nuclear Information System (INIS)

    Duval, Mickael

    2016-01-01

    This PhD thesis, part of the ANR ICARE project, aims at developing methods for complex analysis of large scale structures. The scientific challenge is to investigate very localised areas, but potentially critical as of mechanical systems resilience. Classically, representation models, discretizations, mechanical behaviour models and numerical tools are used at both global and local scales for simulation needs of graduated complexity. Global problem is handled by a generic code with topology (plate formulation, geometric approximation...) and behaviour (homogenization) simplifications while local analysis needs implementation of specialized tools (routines, dedicated codes) for an accurate representation of the geometry and behaviour. The main goal of this thesis is to develop an efficient non-intrusive coupling tool for multi-scale and multi-model structural analysis. Constraints of non-intrusiveness result in the non-modification of the stiffness operator, connectivity and the global model solver, allowing to work in a closed source software environment. First, we provide a detailed study of global/local non-intrusive coupling algorithm. Making use of several relevant examples (cracking, elastic-plastic behaviour, contact...), we show the efficiency and the flexibility of such coupling method. A comparative analysis of several optimisation tools is also carried on, and the interacting multiple patches situation is handled. Then, non-intrusive coupling is extended to globally non-linear cases, and a domain decomposition method with non-linear re-localization is proposed. Such methods allowed us to run a parallel computation using only sequential software, on a high performance computing cluster. Finally, we apply the coupling algorithm to mesh refinement with patches of finite elements. We develop an explicit residual based error estimator suitable for multi-scale solutions arising from the non-intrusive coupling, and apply it inside an error driven local mesh

  1. 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.

  2. Residual losses in epitaxial thin films of YBa2Cu3O7 from microwave to submillimeter wave frequencies

    International Nuclear Information System (INIS)

    Miller, D.; Richards, P.L.; Etemad, S.; Inam, A.; Venkatesan, T.; Dutta, B.; Wu, X.D.; Eom, C.B.; Geballe, T.H.; Newman, N.; Cole, B.F.

    1991-01-01

    We have measured the residual loss in five epitaxial a-b plane films of the high-T c superconductor YBa 2 Cu 3 O 7 . Microwave measurements near 10 GHz were made by resonance techniques at 4 K. Submillimeter measurements from ∼1.5 to 21 THz were made at 2 K by a direct absorption technique. We use a model of weakly coupled superconducting grains and a homogeneous two-fluid model to fit the data for each film below the well-known absorption edge at 13.5 THz. When the penetration depth determined from muon spin rotation measurements is used to constrain each model, the weakly coupled grain model is able to fit the measured absorptivities for all films, but the two-fluid model is less successful

  3. Anomalous electromagnetic coupling via entanglement at the nanoscale

    International Nuclear Information System (INIS)

    Slepyan, Gregory; Boag, Amir; Mordachev, Vladimir; Sinkevich, Eugene; Maksimenko, Sergey; Kuzhir, Polina; Miano, Giovanni; Portnoi, Mikhail E; Maffucci, Antonio

    2017-01-01

    Understanding unwanted mutual interactions between devices at the nanoscale is crucial for the study of the electromagnetic compatibility in nanoelectronic and nanophotonic systems. Anomalous electromagnetic coupling (crosstalk) between nanodevices may arise from the combination of electromagnetic interaction and quantum entanglement. In this paper we study in detail the crosstalk between two identical nanodevices, each consisting of a quantum emitter (atom, quantum dot, etc), capacitively coupled to a pair of nanoelectrodes. Using the generalized susceptibility concept, the overall system is modeled as a two-port within the framework of the electrical circuit theory and it is characterized by the admittance matrix. We show that the entanglement changes dramatically the physical picture of the electromagnetic crosstalk. In particular, the excitation produced in one of the ports may be redistributed in equal parts between both the ports, in spite of the rather small electromagnetic interactions. Such an anomalous crosstalk is expected to appear at optical frequencies in lateral GaAs double quantum dots. A possible experimental set up is also discussed. The classical concepts of interference in the operation of electronic devices, which have been known since the early days of radio-communications and are associated with electromagnetic compatibility, should then be reconsidered at the nanoscale. (paper)

  4. Unsteady adjoint for large eddy simulation of a coupled turbine stator-rotor system

    Science.gov (United States)

    Talnikar, Chaitanya; Wang, Qiqi; Laskowski, Gregory

    2016-11-01

    Unsteady fluid flow simulations like large eddy simulation are crucial in capturing key physics in turbomachinery applications like separation and wake formation in flow over a turbine vane with a downstream blade. To determine how sensitive the design objectives of the coupled system are to control parameters, an unsteady adjoint is needed. It enables the computation of the gradient of an objective with respect to a large number of inputs in a computationally efficient manner. In this paper we present unsteady adjoint solutions for a coupled turbine stator-rotor system. As the transonic fluid flows over the stator vane, the boundary layer transitions to turbulence. The turbulent wake then impinges on the rotor blades, causing early separation. This coupled system exhibits chaotic dynamics which causes conventional adjoint solutions to diverge exponentially, resulting in the corruption of the sensitivities obtained from the adjoint solutions for long-time simulations. In this presentation, adjoint solutions for aerothermal objectives are obtained through a localized adjoint viscosity injection method which aims to stabilize the adjoint solution and maintain accurate sensitivities. Preliminary results obtained from the supercomputer Mira will be shown in the presentation.

  5. Analysis of banned veterinary drugs and herbicide residues in shellfish by liquid chromatography-tandem mass spectrometry (LC/MS/MS) and gas chromatography-tandem mass spectrometry (GC/MS/MS)

    International Nuclear Information System (INIS)

    Chang, Geng-Ruei; Chen, Hui-Shan; Lin, Feng-Yi

    2016-01-01

    Seafood safety is a crucial public health concern for consumers. In this study, we applied a validated method to analyze the residue of banned veterinary drugs in shellfish, namely chloramphenicol, malachite green, leucomalachite green, and nitrofuran metabolites; additionally, the QuEChERS method was employed to detect 76 herbicides by LC/MS/MS and GC/MS/MS. In total, 42 shellfish samples, which included hard clams, freshwater clams, and oysters, were collected from aquafarms and production areas in Taiwan during 2012. Our results revealed 3.8 ng/g of chloramphenicol in one hard clam, 19.9–32.1 ng/g of ametryn in two hard clams, 16.1–60.1 ng/g of pendimethalin in four hard clams, and 17.0 ng/g of mefenacet in one oyster, indicating that 19.1% of the samples contained residues from banned veterinary drugs and pesticides. These data can be used to monitor the residue of veterinary drugs and pesticides in aquatic organisms and as a reference for food safety. - Highlights: • A certified method was employed for analyzing residues of banned veterinary drugs and herbicides in shellfish samples. • The trace levels of chloramphenicol, ametryn, pendimethalin were detected in hard clam samples. • For ensuring food safety, continual monitoring of aquatic products is necessary.

  6. Influence of organic waste and residue mud additions on chemical, physical and microbial properties of bauxite residue sand.

    Science.gov (United States)

    Jones, Benjamin E H; Haynes, Richard J; Phillips, Ian R

    2011-02-01

    In an alumina refinery, bauxite ore is treated with sodium hydroxide at high temperatures and pressures and for every tone of alumina produced, about 2 tones of alkaline, saline bauxite processing waste is also produced. At Alcoa, a dry stacking system of disposal is used, and it is the sand fraction of the processing waste that is rehabilitated. There is little information available regarding the most appropriate amendments to add to the processing sand to aid in revegetation. The purpose of this study was to investigate how the addition of organic wastes (biosolids and poultry manure), in the presence or absence of added residue mud, would affect the properties of the residue sand and its suitability for revegetation. Samples of freshly deposited residue sand were collected from Alcoa's Kwinana refinery. Samples were treated with phosphogypsum (2% v/v), incubated, and leached. A laboratory experiment was then set up in which the two organic wastes were applied at 0 or the equivalent to 60 tones ha(-1) in combination with residue mud added at rates of 0%, 10% and 20% v/v. Samples were incubated for 8 weeks, after which, key chemical, physical and microbial properties of the residue sand were measured along with seed germination. Additions of residue mud increased exchangeable Na(+), ESP and the pH, and HCO (3) (-) and Na(+) concentrations in saturation paste extracts. Additions of biosolids and poultry manure increased concentrations of extractable P, NH (4) (+) , K, Mg, Cu, Zn, Mn and Fe. Addition of residue mud, in combination with organic wastes, caused a marked decrease in macroporosity and a concomitant increase in mesoporosity, available water holding capacity and the quantity of water held at field capacity. With increasing residue mud additions, the percentage of sample present as sand particles (2 mm diameter) increased; greatest aggregation occurred where a combination of residue mud and poultry manure were added. Stability of aggregates, as measured by

  7. Evaluation of matrix effect in isotope dilution mass spectrometry based on quantitative analysis of chloramphenicol residues in milk powder

    International Nuclear Information System (INIS)

    Li, Xiu Qin; Yang, Zong; Zhang, Qing He; Li, Hong Mei

    2014-01-01

    Graphical abstract: -- Highlights: •We develop a strategy to evaluate matrix effect and its impact on the IDMS results. •Matrix effect and IDMS correction factor from different conditions are evaluated. •Ion suppression effect is observed in LLE and HLB pre-treated sample solutions. •Ion enhancement effect is found in MCX pre-treated sample solution. •IDMS correction factor in HLB and MCX solutions in three instruments is close to 1 -- Abstract: In the present study, we developed a comprehensive strategy to evaluate matrix effect (ME) and its impact on the results of isotope dilution mass spectrometry (IDMS) in analysis of chloramphenicol (CAP) residues in milk powder. Stable isotope-labeled internal standards do not always compensate ME, which brings the variation of the ratio (the peak area of analyte/the peak area of isotope). In our investigation, impact factors of this variation were studied in the extraction solution of milk powder using three mass spectrometers coupled with different ion source designs, and deuterium-labeled chloramphenicol (D5-CAP) was used as the internal standard. ME from mobile phases, sample solvents, pre-treatment methods, sample origins and instruments was evaluated, and its impact on the results of IDMS was assessed using the IDMS correction factor (θ). Our data showed that the impact of ME of mobile phase on the correction factor was significantly greater than that of sample solvent. Significant ion suppression and enhancement effects were observed in different pre-treated sample solutions. The IDMS correction factor in liquid–liquid extraction (LLE) and molecular imprinted polymer (MIP) extract with different instruments was greater or less 1.0, and the IDMS correction factor in hydrophilic lipophilic balance (HLB) and mix-mode cation exchange (MCX) extract with different instruments was all close to 1.0. To the instrument coupled with different ion source design, the impact of ME on IDMS quantitative results was

  8. 12 CFR 23.21 - Estimated residual value.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 1 2010-01-01 2010-01-01 false Estimated residual value. 23.21 Section 23.21...) Leases § 23.21 Estimated residual value. (a) Recovery of investment and costs. A national bank's estimate of the residual value of the property that the bank relies upon to satisfy the requirements of a full...

  9. The Study Abroad Experience: A Crucial Element in Globalizing Business School Programs

    Science.gov (United States)

    Mangiero, George A.; Kraten, Michael

    2011-01-01

    Globalization is a fundamental reality of modern business practice. Participation in a study abroad program is a crucial element in helping students become well rounded global business leaders; it is an increasingly important element of a well rounded business curriculum. A semester or summer abroad, properly conceived and designed, can provide…

  10. Alcohol biodiesel from frying oil residues; Biodiesel etilico a partir de oleo de fritura residual

    Energy Technology Data Exchange (ETDEWEB)

    Festa, Brunna Simoes; Marques, Luiz Guilherme da Costa [Universidade Federal do Rio de Janeiro (IVIG/COPPE/UFRJ), RJ (Brazil). Coordenacao dos Programas de Pos-Graduacao de Engenharia. Inst. Virtual Internacional de Mudancas Globais], E-mail: lguilherme@ivig.coppe.ufrj.br

    2010-07-01

    This paper describes the reaction optimization and production of biodiesel through the use of frying residual oil made available by the restaurant placed at the PETROBRAS Research Center (CENPES-RJ), using ethanol, so that to permit the production of sustainable bio diesel. The environmental gains obtained by the utilization of residual oil, avoiding that this oil be released in the nature, and the economic gains coming from the generation and utilization of ethanol allowing the production of biodiesel be an viable alternative. The obtained results during laboratory tests shown that biodiesel produced from the transesterification in alkaline medium, of the frying residual oil collected presented a reaction yield of approximately 80% considering in mass.

  11. Response of Sorghum bicolor L. to Residual Phosphate on Two Contrasting Soils Previously Planted to Cowpea or Maize

    Directory of Open Access Journals (Sweden)

    Tola Omolayo Olasunkanmi

    2016-01-01

    Full Text Available Proper fertilizer nutrient management through adequate utilization of the residual value coupled with healthy crop rotation contributes significantly to sustainable crop production. This study was conducted to evaluate the direct and residual effects of two rock phosphate (RP materials on two contrasting soils previously planted with either the cereal crop or the leguminous crop. The effectiveness of the RP materials as substitute for the conventional P fertilizers was evaluated using single superphosphate as reference at the Department of Agronomy, University of Ibadan, Ibadan, Nigeria. The experiments were 2 × 2 × 4 factorial in completely randomized design. The test crops in the first cropping performed better on the slightly acidic loamy sand than on the strongly acidic sandy clay loam. Performance of each crop was improved by P supply in the first and second cropping. Single superphosphate proved to be more efficient than the RPs in the first cropping but not as effective as MRP in the second cropping. In the second cropping, sorghum performed better on the soil previously cropped to cowpea while Morocco RP had the highest residual effect among the P-fertilizer sources. It is evident that rock phosphates are better substitutes to the conventional phosphorus fertilizers due to their long term residual effect in soils. The positive effects of healthy rotation of crops as well as the negative effects of low soil pH are also quite obvious.

  12. Leaching of APC residues from secondary Pb metallurgy using single extraction tests: the mineralogical and the geochemical approach.

    Science.gov (United States)

    Ettler, Vojtech; Mihaljevic, Martin; Sebek, Ondrej; Strnad, Ladislav

    2005-05-20

    Two air-pollution-control (APC) residues--one from flue gas cooling with alkaline water and one from deionized water cooling--from secondary lead metallurgy were submitted to two different standardized short-term leaching protocols: US EPA toxicity characteristic leaching procedure (TCLP) and static leaching according to Czech/European norm EN 12457-2. The experimental procedure was coupled with detailed mineralogical investigation of the solid material (SEM, XRPD) and speciation-solubility calculations using the PHREEQC-2 geochemical code. Both types of residues were considered as hazardous materials exhibiting substantial leaching of Pb (up to 7130 mg/l) and other inorganic contaminants. However, the APC residue produced by flue gas cooling with alkaline water (sample B) exhibits more favourable leaching and environmental characteristics than that produced by simple deionised water cooling (sample A). At pH 6, phosgenite (PbCl2.PbCO3) became the dominant secondary phase. The results are consistent with the mineralogical and geochemical studies focused on acidic forest soils highly polluted by smelter emissions, where anglesite, as a unique Pb-bearing phase, has been detected. From the technological point of view, the mixing of APC residue with alkaline water, followed by an increase in the suspension pH and equilibration with atmospheric CO2, may be used to ensure the precipitation of less soluble Pb carbonates, which are more easily recycled in the Pb recovery process in the metallurgical plant.

  13. 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.

    Directory of Open Access Journals (Sweden)

    Amanda Tse

    Full Text Available 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

  14. 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

  15. FINITE ELEMENT MODEL FOR PREDICTING RESIDUAL ...

    African Journals Online (AJOL)

    FINITE ELEMENT MODEL FOR PREDICTING RESIDUAL STRESSES IN ... the transverse residual stress in the x-direction (σx) had a maximum value of 375MPa ... the finite element method are in fair agreement with the experimental results.

  16. Evaluation of heavy metals in hazardous automobile shredder residue thermal residue and immobilization with novel nano-size calcium dispersed reagent

    International Nuclear Information System (INIS)

    Lee, Chi-Hyeon; Truc, Nguyen Thi Thanh; Lee, Byeong-Kyu; Mitoma, Yoshiharu; Mallampati, Srinivasa Reddy

    2015-01-01

    Graphical abstract: Schematic representation of possible mechanisms determining the heavy metals immobilization efficiencyof ASR dust/thermal residues after treatment with nanometallic Ca/CaO/PO 4 . - Highlights: • Nanometallic Ca/CaO/PO 4 for heavy metals immobilization in ASR residue. • Heavy metals immobilization in dry condition attained about 95–100%. • Remaining heavy metals were lower than the Korean standard regulatory limit. • The amounts of heavy metals detectable on the ASR dust surface decreased. • Nanometallic Ca/CaO/PO 4 has a promising potential for heavy metal remediation. - Abstract: This study was conducted to synthesize and apply a nano-size calcium dispersed reagent as an immobilization material for heavy metal-contaminated automobile shredder residues (ASR) dust/thermal residues in dry condition. Simple mixing with a nanometallic Ca/CaO/PO 4 dispersion mixture immobilized 95–100% of heavy metals in ASR dust/thermal residues (including bottom ash, cavity ash, boiler and bag filter ash). The quantity of heavy metals leached from thermal residues after treatment by nanometallic Ca/CaO/PO 4 was lower than the Korean standard regulatory limit for hazardous waste landfills. The morphology and elemental composition of the nanometallic Ca/CaO-treated ASR residue were characterized by field emission scanning election microscopy combined with electron dispersive spectroscopy (FE-SEM/EDS). The results indicated that the amounts of heavy metals detectable on the ASR thermal residue surface decreased and the Ca/PO 4 mass percent increased. X-ray diffraction (XRD) pattern analysis indicated that the main fraction of enclosed/bound materials on ASR residue included Ca/PO 4 − associated crystalline complexes, and that immobile Ca/PO 4 salts remarkably inhibited the desorption of heavy metals from ASR residues. These results support the potential use of nanometallic Ca/CaO/PO 4 as a simple, suitable and highly efficient material for the gentle

  17. Evaluation of heavy metals in hazardous automobile shredder residue thermal residue and immobilization with novel nano-size calcium dispersed reagent

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chi-Hyeon; Truc, Nguyen Thi Thanh [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of); Lee, Byeong-Kyu, E-mail: bklee@ulsan.ac.kr [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of); Mitoma, Yoshiharu [Department of Environmental Sciences, Prefectural University of Hiroshima, 562 Nanatsuka-Cho Shobara City, Hiroshima 727-0023 (Japan); Mallampati, Srinivasa Reddy, E-mail: srireddys@ulsan.ac.kr [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of)

    2015-10-15

    Graphical abstract: Schematic representation of possible mechanisms determining the heavy metals immobilization efficiencyof ASR dust/thermal residues after treatment with nanometallic Ca/CaO/PO{sub 4}. - Highlights: • Nanometallic Ca/CaO/PO{sub 4} for heavy metals immobilization in ASR residue. • Heavy metals immobilization in dry condition attained about 95–100%. • Remaining heavy metals were lower than the Korean standard regulatory limit. • The amounts of heavy metals detectable on the ASR dust surface decreased. • Nanometallic Ca/CaO/PO{sub 4} has a promising potential for heavy metal remediation. - Abstract: This study was conducted to synthesize and apply a nano-size calcium dispersed reagent as an immobilization material for heavy metal-contaminated automobile shredder residues (ASR) dust/thermal residues in dry condition. Simple mixing with a nanometallic Ca/CaO/PO{sub 4} dispersion mixture immobilized 95–100% of heavy metals in ASR dust/thermal residues (including bottom ash, cavity ash, boiler and bag filter ash). The quantity of heavy metals leached from thermal residues after treatment by nanometallic Ca/CaO/PO{sub 4} was lower than the Korean standard regulatory limit for hazardous waste landfills. The morphology and elemental composition of the nanometallic Ca/CaO-treated ASR residue were characterized by field emission scanning election microscopy combined with electron dispersive spectroscopy (FE-SEM/EDS). The results indicated that the amounts of heavy metals detectable on the ASR thermal residue surface decreased and the Ca/PO{sub 4} mass percent increased. X-ray diffraction (XRD) pattern analysis indicated that the main fraction of enclosed/bound materials on ASR residue included Ca/PO{sub 4}− associated crystalline complexes, and that immobile Ca/PO{sub 4} salts remarkably inhibited the desorption of heavy metals from ASR residues. These results support the potential use of nanometallic Ca/CaO/PO{sub 4} as a simple, suitable and

  18. Three C-terminal residues from the sulphonylu