WorldWideScience

Sample records for residual proton-neutron interactions

  1. Symmetries in heavy nuclei and the proton-neutron interaction

    Energy Technology Data Exchange (ETDEWEB)

    Casten, R.F.

    1986-01-01

    The Interacting Boson Approximation (IBA) nuclear structure model can be expressed in terms of the U(6) group, and thereby leads to three dynamical symmetries (or group chains) corresponding to different nuclear coupling schemes and geometrical shapes. The status of the empirical evidence for these three symmetries is reviewed, along with brief comments on the possible existence of supersymmetries in nuclei. The relationships between these symmetries, the nuclear phase transitional regions linking them, and the residual proton-neutron interaction are discussed in terms of a particularly simple scheme for parameterizing the effects of that interaction. 34 refs., 15 figs.

  2. CONSIDERATIONS ABOUT PROTON - NEUTRON INTERACTIONS IN THE INTERSECTING STORAGE RINGS

    CERN Document Server

    Bartl, W; Steuer, M; Hubner, K

    1969-01-01

    The pos'sibility of proton-neutron scattering experiments at the CERN Intersecting Storage Rings is studied. The use of proton-deuteron collisions to measure the reaction p+d •*• p*pv+n,witheitherp.orn,asspectator nucléon is discussed. An analysing magnet around the deuteron beamline allows to detect both nucléons of the deuteron up to the zero-momentum-transfer" région. Accélération and storage of deuteron beams is considered.

  3. Investigation of the proton-neutron interaction by high-precision nuclear mass measurements

    CERN Multimedia

    Savreux, R P; Akkus, B

    2007-01-01

    We propose to measure the atomic masses of a series of short-lived nuclides, including $^{70}$Ni, $^{122-130}$Cd, $^{134}$Sn, $^{138,140}$Xe, $^{207-210}$Hg, and $^{223-225}$Rn, that contribute to the investigation of the proton-neutron interaction and its role in nuclear structure. The high-precision mass measurements are planned for the Penning trap mass spectrometer ISOLTRAP that reaches the required precision of 10 keV in the nuclear mass determination.

  4. Description of spectrum and electromagnetic transitions in 94Mo through the proton-neutron interacting boson model

    Science.gov (United States)

    Mu, ChengFu; Zhang, DaLi

    2018-01-01

    We investigated the properties of low-lying states in 94Mo within the framework of the proton-neutron interacting boson model (IBM-2), with special focus on the characteristics of mixed-symmetry states. We calculated level energies and M1 and E2 transition strengths. The IBM-2 results agree with the available quantitative and qualitative experimental data on 94Mo. The properties of mixed-symmetry states can be well described by IBM-2 given that the energy of the d proton boson is different from that of the neutron boson, especially for the transition of B( M1; 4 2 + → 4 1 + ).

  5. High-precision mass measurements in the rare-earth region to investigate the proton-neutron interaction

    CERN Multimedia

    Herfurth, F; Blaum, K; Beck, D; Schwarz, S; Audi, G; Rosenbusch, M; Litvinov, Y

    We propose precision mass measurements on a series of short-lived nuclides for the investigation of proton-neutron interactions and two neutron separation energies and their role in nuclear structure, especially concerning deformation and collectivity. The nuclides include neutron-rich Nd, Sm, Dy, Er, and Yb isotopes, as well as $^{186}$Hf. The investigations will require the Penning trap mass-spectrometer ISOLTRAP which routinely reaches the necessary mass precision of about 10 keV. The measurements are planned for a period of two years and include a request for the test of the RILIS scheme of Sm.

  6. γ-decay of {}_{8}^{16}{{\\rm{O}}}_{8}\\,{and}\\,{}_{7}^{16}{{\\rm{N}}}_{9} in proton-neutron Tamm-Dancoff and random phase approximations with optimized surface δ interaction

    Science.gov (United States)

    Pahlavani, M. R.; Firoozi, B.

    2016-09-01

    γ-ray transitions from excited states of {}16{{N}} and {}16{{O}} isomers that appear in the γ spectrum of the {}616{{{C}}}10\\to {}716{{{N}}}9\\to {}816{{{O}}}8 beta decay chain are investigated. The theoretical approach used in this research starts with a mean-field potential consisting of a phenomenological Woods-Saxon potential including spin-orbit and Coulomb terms (for protons) in order to obtain single-particle energies and wave functions for nucleons in a nucleus. A schematic residual surface delta interaction is then employed on the top of the mean field and is treated within the proton-neutron Tamm-Dancoff approximation (pnTDA) and the proton-neutron random phase approximation. The goal is to use an optimized surface delta interaction interaction, as a residual interaction, to improve the results. We have used artificial intelligence algorithms to establish a good agreement between theoretical and experimental energy spectra. The final results of the ‘optimized’ calculations are reasonable via this approach.

  7. Valence proton-neutron interaction strengths from double binding energy differences

    International Nuclear Information System (INIS)

    Brenner, D.S.; Foy, B.D.; Warner, D.D.; Zamfir, N.V.; Casten, R.F.

    1996-01-01

    Empirical p-n interaction strengths have been extracted from experimental mass data using double-difference binding energy equations. The especially strong interactions for self-conjugate nuclei will be discussed as well as microstructure found for deformed and in doubly magic regions. Valence correlation Schemes provide a basis to comment on the stability of medium mass near-drip-line nuclei and superheavy elements

  8. Global trends and structural consequences of the proton-neutron interaction

    International Nuclear Information System (INIS)

    Zhang, J.-Y.; Brenner, D.S.; Casten, R.F.; Wesselborg, C.; Warner, D.D.

    1989-01-01

    It has long been recognized that nuclei do not have deformed ground states or exhibit significant collective behavior unless they contain minimum numbers of both protons and neutrons beyond closed shell configurations. In medium mass and heavy nuclei, for example, it has been shown that each valence nucleon must have available 4-10 valence nucleons of the opposite type before deformation sets in. Empirically is is found that experimental observables such as B(E2:2 + 1 →O + 1 ) values and E 4 + 1 /E 2 + 1 ratios, which are sensitive indicators of the degree of collectivity and deformation, correlate to a remarkable extent with the valence nucleon product, N p N n , which can be viewed as a rough first-order approximation to the integrated p-n interaction strength. Thus it has become clear that the p-n interaction among valence nucleons is largely responsible for deformation, configuration mixing and collectivity in nuclear matter. The success of the N p N n scheme has refocussed attention on the critical role played by the attractive p-n force in nuclear structure and we shall explore, here, several aspects of the interaction which have been highlighted by recent studies of empirical p-n interaction strengths. 23 refs., 8 figs

  9. Empirical proton-neutron interaction energies and the NpNn scheme: Shell and subshell effects

    International Nuclear Information System (INIS)

    Brenner, D.S.; Casten, R.F.; Zhang, J.Y.

    1989-01-01

    The average p-n interaction energies of each of the last two valence protons and neutrons can be extracted from experimental binding energy data using, δVpn(Z+1,N+1) = ([B(Z+2,N+2)-B(Z+2,N)] - [B(Z,N+2)-B(Z,N)])/4. Summation of δVpn over all valence nucleons yields Vpn, the integrated valence p-n interaction, which is found to increase linearly early in a shell with NpNn and then saturate as mid-shell is approached. This saturation in Vpn is consistent with the saturation in collectivity as indicated by B(E2:0 1 + →2 1 + ) values and provides empirical support for the NpNn scheme. Since valence particles are counted from the nearest shell or subshell, it is of interest to explore the behavior of δVpn as structure indicators. Results for several mass regions are presented and discussed in this context

  10. Description of the Rigid Triaxial Deformation at Low Energy in 76Ge with the Proton-Neutron Interacting Model IBM2

    International Nuclear Information System (INIS)

    Zhang Da-Li; Ding Bin-Gang

    2013-01-01

    We investigate properties of the low-lying energy states for 76 Ge within the framework of the proton-neutron interacting model IBM2, considering the validity of the Z = 38 subshell closure 88 Sr 50 as a doubly magic core. By introducing the quadrupole interactions among like bosons to the IBM2 Hamiltonian, the energy levels for both the ground state and γ bands are reproduced well. Particularly, the doublet structure of the γ band and the energy staggering signature fit the experimental data correctly. The ratios of B(E2) transition strengths for some states of the γ band, and the g factors of the 2 1 + , 2 2 + states are very close to the experimental data. The calculation result indicates that the nucleus exhibiting rigid triaxial deformation in the low-lying states can be described rather well by the IBM2

  11. Proton-neutron correlations in a broken-pair model

    International Nuclear Information System (INIS)

    Akkermans, J.N.L.

    1981-01-01

    In this thesis nuclear-structure calculations are reported which were performed with the broken-pair model. The model which is developed, is an extension of existing broken-pair models in so far that it includes both proton and neutron valence pairs. The relevant formalisms are presented. In contrast to the number-non-conserving model, a proton-neutron broken-pair model is well suited to study the correlations which are produced by the proton-neutron interaction. It is shown that the proton-neutron force has large matrix elements which mix the proton- with neutron broken-pair configurations. This occurs especially for Jsup(PI)=2 + and 3 - pairs. This property of the proton-neutron force is used to improve the spectra of single-closed shell nuclei, where particle-hole excitations of the closed shell are a special case of broken-pair configurations. Using Kr and Te isotopes it is demonstrated that the proton-neutron force gives rise to correlated pair structures, which remain remarkably constant with varying nucleon numbers. (Auth.)

  12. Proton-neutron interaction at N≅Z. First observation of the Tz = 1 nucleus 4694Pd48 in beam

    International Nuclear Information System (INIS)

    Gorska, M.; Grzywacz, R.; Rejmund, M.; Foltescu, D.; Roth, H.; Skeppstedt, Oe.; Schubart, R.; Grawe, H.; Heese, J.; Maier, K.H.; Spohr, K.; Fossan, D.B.

    1996-01-01

    Neutron deficient nuclei close to N ≅ Z are expected to exhibit a new kind of pairing based on the T=0, I=1, I max configuration, which in the (p 1/2 , g 9/2 )shell model space below 100 Sn is governed by the g 2 9/2 proton (π)-neutron(ν) interaction. The experimental data exhibit strongly bound g 2 9/2 , T=0, I=1 + ,9 + . In the experimentally barely studied far from stability upper πg 9/2 shell due to the hole-hole character of the πν interaction spin gap isomers are expected. For this reason the γ decay of isomers produced in the 58 Ni ion beams interaction with 40 Ca target. The 94 Pd isomer has been found as an example of mentioned above spin gap isomers

  13. Study of the proton-neutron interaction around $^{68}$Ni : Vibrational structure of $^{72,74}$Zn

    CERN Multimedia

    Hass, M; Blazhev, A A; Kruecken, R; Muecher, D; Kumar, V; Srebrny, J; Albers, M; Gernhaeuser, R A; Hadynska-klek, K; Eberth, J H; Lo bianco, G; Napiorkowski, P J; Bettermann, L; Das gupta, S; Kroell, T; Leske, J; Iwanicki, J S

    We propose to study the $^{72}$Zn nucleus, 2 protons and 2 neutrons away from the possible double-magic $^{68}$Ni nucleus, by means of Coulomb Excitation in inverse kinematics. Current data suggest almost degenerated 2$^{+}$ states of 2-phonon and mixed-symmetric character, respectively. The identification of the 2$^+_{ms}$ state in $^{72}$Zn will be a direct measure of the interaction between valence protons and neutrons, which is the key to understand the nature of $^{68}$Ni. We furthermore propose to study the unusual behavior of the first excited 0$^{+}$ state in this region using the t($^{72}$Zn,p)$\\,^{74}$Zn reaction.

  14. Causality and the proton-neutron mass difference

    International Nuclear Information System (INIS)

    Abdel-Rahman, A.M.; Taha, M.O.

    1977-01-01

    The Cottingham formula for the electromagnetic proton-neutron mass difference is simplified by imposing certain casuality conditions. The Born contribution to the mass difference is calculated using the modified formula and is found to be insignificant. The divergent part and the deep-inelastic contribution are discussed

  15. Proton-neutron modes in non-axial nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Leviatan, A. (Center for Theoretical Physics, Yale Univ., New Haven, CT (USA) Theoretical Div., Los Alamos National Lab., NM (USA)); Ginocchio, J.N. (Theoretical Div., Los Alamos National Lab., NM (USA))

    1991-09-05

    A normal-mode analysis is carried out for aligned rigid-triaxial, gamma-unstable and oblique proton-neutron shapes. Intrinsic hamiltonians, energy surfaces and estimates for bandhead energies and selected transition rates are provided. Possible experimental signatures are briefly discussed. (orig.).

  16. Proton-neutron modes in non-axial nuclei

    International Nuclear Information System (INIS)

    Leviatan, A.; Ginocchio, J.N.

    1991-01-01

    A normal-mode analysis is carried out for aligned rigid-triaxial, gamma-unstable and oblique proton-neutron shapes. Intrinsic hamiltonians, energy surfaces and estimates for bandhead energies and selected transition rates are provided. Possible experimental signatures are briefly discussed. (orig.)

  17. Proton-neutron deformations and F -spin symmetry in nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Leviatan, A.; Ginocchio, J.N. (Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM (USA)); Kirson, M.W. (Nuclear Physics Department, Weizmann Institute of Science, 76100 Rehovot (Israel))

    1990-12-03

    The purity of intrinsic states of nuclei with respect to a proton-neutron boson symmetry ({ital F} spin) is shown to be largely determined by the difference between proton and neutron deformations and not by whether the Hamiltonian is an {ital F}-spin scalar. Upper and lower bounds on {ital F}-spin mixing in the ground-state band of {sup 165}Ho are estimated using recent pion single-charge-exchange data.

  18. Investigation of the nucleon excitation mechanism in proton-neutron collisions at 192 GeV/c

    CERN Document Server

    Boos, E G; Tursunov, R A

    1977-01-01

    On the basis of the analysis of 7600 3-prong events detected in the 200-cm deuterium bubble chamber at CERN, exclusive proton-neutron interactions are considered. Investigation of the experimental M/sub eff/ distributions and the corresponding diagrams enables one to get information on nucleon diffractive excitation, to determine the cross sections of the diffractive dissociation for two- and three-particle decay modes. (9 refs).

  19. Nuclear deformation: a proton-neutron effect

    International Nuclear Information System (INIS)

    Dobaczewski, J.

    1988-01-01

    The Hartree-Fock plus BCS method with the Skyrme interaction is used to analyse the equilibrium deformations of nuclei in the A≅100 region. It is shown that the theoretical results are consistent with the N n N p classification scheme. Relations between the nuclear deformation effects and the neutron-proton interaction are discussed

  20. Measurement of conversion electrons with the $^{208}Pb(p,n)^{208}Bi$ reaction and derivation of the shell model proton neutron hole interaction from the properties of $^{208}Bi$

    CERN Document Server

    Maier, K H; Dracoulis, G D; Boutachkov, P; Aprahamian, A; Byrne, A P; Davidson, P M; Lane, G L; Marie-Jeanne, Mélanie; Nieminen, P; Watanabe, H

    2007-01-01

    Conversion electrons from 208Bi have been measured using singles and coincidence techniques with the 208Pb(p,n)208Bi reaction at 9 MeV. The new information on multipolarities and spins complements that available from recent gamma-gamma-coincidence studies with the same reaction [Boutachkov et al., Nucl. Phys. A768, 22 (2006)]. The results on electromagnetic decays taken together with information on spectroscopic factors from earlier single-particle transfer reaction measurements represent an extensive data set on the properties of the one-proton one-neutron-hole states below 3 MeV, a spectrum which is virtually complete. Comparison of the experimental observables, namely, energies, spectroscopic factors, and gamma-branching ratios, with those calculated within the shell model allows extraction of the matrix elements of the shell model residual interaction. More than 100 diagonal and nondiagonal elements can be determined in this way, through a least squares fit to the experimental data. This adjustment of the...

  1. Interrelation between the isoscalar octupole phonon and the proton-neutron mixed-symmetry quadrupole phonon in near-spherical nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Smirnova, N.A.; Van Isacker, P. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France); Smirnova, N.A [Paris-11 Univ., 91 - Orsay (France). Centre de Spectrometrie Nucleaire et de Spectrometrie de Masse]|[Institute for Nuclear Physics, Moscow State University (Russian Federation); Pietralla, N. [Institut fur Kernphysik, Universitat zu Koln (Germany)]|[Yale Univ., New Haven, CT (United States). Wright Nuclear Structure Lab; Mizusaki, T. [Tokyo Univ. (Japan). Dept. of Physics

    2000-07-01

    The interrelation between the octupole phonon and the low-lying proton-neutron mixed-symmetry quadrupole in near-spherical nuclei is investigated. The one-phonon states decay by collective E3 and E2 transitions to the ground state and by relatively strong E1 and M1 transitions to the isoscalar 2{sup +}{sub 1} state. We apply the proton-neutron version of the Interacting Boson Model including quadrupole and octupole bosons (sdf-IBM-2). Two F-spin symmetric dynamical symmetry limits of the model, namely the vibrational and the {gamma}-unstable ones, are considered. We derived analytical formulae for excitation energies as well as B(E1), B(M1), B(E2), and B(E3) values for a number of transitions between low-lying states. The model well reproduces many known transition strengths in the near spherical nuclei {sup 142}Ce and {sup 94}Mo. (authors)

  2. Proton-neutron deformations and F-spin symmetry in nuclei

    International Nuclear Information System (INIS)

    Leviatan, A.; Ginocchio, J.N.; Kirson, M.W.

    1990-01-01

    The purity of intrinsic states of nuclei with respect to a proton-neutron boson symmetry (F spin) is shown to be largely determined by the difference between proton and neutron deformations and not by whether the Hamiltonian is an F-spin scalar. Upper and lower bounds on F-spin mixing in the ground-state band of 165 Ho are estimated using recent pion single-charge-exchange data

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

    Directory of Open Access Journals (Sweden)

    Yizhou Li

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

  4. Profile Monitors Based on Residual Gas Interaction

    CERN Document Server

    Forck, P; Giacomini, T; Peters, A

    2005-01-01

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

  5. Identification of mannose interacting residues using local composition.

    Directory of Open Access Journals (Sweden)

    Sandhya Agarwal

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

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Indian Academy of Sciences (India)

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

  8. Interplay between symmetries and residual interactions in rotating nuclei

    International Nuclear Information System (INIS)

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

    1990-01-01

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

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

    KAUST Repository

    Wong, Ka-Chun

    2015-11-02

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

  10. On unfolding counting-rate spectra of recoil-proton neutron detectors

    International Nuclear Information System (INIS)

    Yeivin, Yehuda

    1983-01-01

    This note proposes a possible scheme for unfolding recoil-proton neutron detector data, in which at first the undistorted proton source spectrum is derived. The main argument in favour of this scheme is that, compared with the conventional scheme, it necessitates somewhat weaker assumptions with respect to the unknown spectrum above the detector's upper energy cutoff, and would therefore be more reliable. We also demonstrate a simple, elementary proof of the wall effect correction for spherical detectors, and, in order to gain insight of the potential merits of the proposed unfolding scheme, illustrate our main argument by considering a hypothetic linear range-energy relation, in which case complete unfolding becomes possible with no assumptions at all on the proton spectrum above the cutoff energy. (author)

  11. 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 .

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

    International Nuclear Information System (INIS)

    Knuepfer, W.; Huber, M.G.

    1976-01-01

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

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

    International Nuclear Information System (INIS)

    1980-01-01

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

  14. Improved Interaction Potentials for Charged Residues in Proteins

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2008-01-01

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

  15. Stretched proton-neutron configurations in fp-shell nuclei. Pt. 1

    International Nuclear Information System (INIS)

    Fister, U.; Jahn, R.; Neumann-Cosel, P. von; Schenk, P.; Trelle, T.K.; Wenzel, D.; Wienands, U.

    1994-01-01

    The (α, d) reaction has been investigated at bombarding energies around 55 MeV on 40,42,44,48 Ca, 50,52,54 Cr, 54,56,58 Fe, 58,60,62,64 Ni, 64,66 Zn and 70,72 Ge targets. The angular distributions of prominent transitions were analyzed with the distorted-wave Born approximation and shown to correspond to unnatural-parity stretched proton-neutron configurations. Strong transitions of (g 9/2 ) 2 9 + and (p 3/2 , g 9/2 ) 6 - character were identified in most final nuclei. Additionally, dominant transitions with (f 7/2 , g 9/2 ) 8 - structure were observed for target nuclei with an open proton f 7/2 shell. These stretched high-spin states could be consistently described by an average normalization constant N = 225 ± 85 indicating their relatively pure two-nucleon structure. In the lower-mass Sc and Mn isotopes, configurations built on g 9/2 states are increasingly damped because of the strong fragmentation of the underlying single-particle strength. (orig.)

  16. Proton-neutron interactions in the odd-odd nucleus 214Fr

    International Nuclear Information System (INIS)

    Byrne, A.P.; Dracoulis, G.D.; Lane, G.J.; Fabricius, B.; Kibedi, T.; Stuchbery, A.E.; Baxter, A.M.; Schiffer, K.

    1993-01-01

    High spin states have been observed to excitation energies over 8 MeV in the odd-odd nucleus 214 Fr using in-beam γ-ray and electron spectroscopic techniques and heavy-ion induced reactions. Semi-empirical shell model calculations appear to provide a good description of the states observed, although some states expected within this model heave yet to be identified. (orig.)

  17. Measurement of the Wolfenstein parameters for proton-proton and proton-neutron scattering at 500 MeV

    International Nuclear Information System (INIS)

    Marshall, J.A.

    1984-07-01

    Using liquid hydrogen and liquid deuterium targets respectively, forward angle (ten degrees to sixty degrees in the center of Mass) free proton-proton and quasielastic proton-proton and proton-neutron triple scattering data at 500 MeV have been obtained using the high resolution spectrometer at the Los Alamos Meson Physics Facility. The data are in reasonable agreement with recent predictions from phase shift analyses, indicating that the proton-nucleon scattering amplitudes are fairly well determined at 500 MeV. 32 references

  18. 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.

  19. Gamow-Teller strength distributions in 76Ge, 76,82Se, and 90,92Zr by the deformed proton-neutron QRPA

    Science.gov (United States)

    Ha, Eunja; Cheoun, Myung-Ki

    2015-02-01

    The deformed proton-neutron quasiparticle random phase approximation (QRPA) has been developed and applied to evaluate Gamow-Teller (GT) transition strength distributions, including high-lying excited states. The data of high-lying excited states are recently available beyond one or two nucleon threshold by charge exchange reactions using hundreds of MeV projectiles. Our calculations started with single-particle states calculated using a deformed, axially symmetric Woods-Saxon potential. The neutron-neutron and proton-proton pairing correlations are explicitly taken into account at the deformed Bardeen-Cooper-Schriffer theory. Additionally, the ground state correlations and two-particle and two-hole mixing states were included in the deformed QRPA. In this work, we used a realistic two-body interaction, given by the Brueckner G-matrix based on the CD Bonn potential to reduce the ambiguity on the nucleon-nucleon interactions inside nuclei. We applied our formalism to the GT transition strengths for 76Ge, 76,82Se, and 90,92Zr, and compared the results with the available experimental data. The GT strength distributions were sensitive to the deformation parameter as well as its sign, i.e., oblate or prolate. The Ikeda sum rule, which is usually thought to be satisfied under the one-body current approximation, regardless of nucleon models, was used to test our numerical calculations and shown to be satisfied without introducing the quenching factor, if high-lying GT excited states were properly taken into account. Most of the GT strength distributions of the nuclei considered in this work have the high-lying GT excited states beyond one-nucleon threshold, which are shown to be consistent with the available experimental data.

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

    Science.gov (United States)

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

    2017-03-01

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

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

    Indian Academy of Sciences (India)

    Madhsudhan

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

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

    Science.gov (United States)

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

    2016-01-01

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

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

    Science.gov (United States)

    Khashan, Raed; Zheng, Weifan; Tropsha, Alexander

    2012-08-01

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

  4. Proton Neutron Gamma-X Detection (PNGXD): An introduction to contrast agent detection during proton therapy via prompt gamma neutron activation

    Science.gov (United States)

    Gräfe, James L.

    2017-09-01

    experimental work are required to determine the feasibility of this new technique termed Proton Neutron Gamma-X Detection (PNGXD). The initial concept of this procedure is presented in this paper as well as future research directions.

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

    Indian Academy of Sciences (India)

    PRAKASH KUMAR

    2007-06-16

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

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

    Science.gov (United States)

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

    2016-01-22

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

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

    Science.gov (United States)

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

    2015-01-01

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

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

    Science.gov (United States)

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

    2011-04-01

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

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

    Science.gov (United States)

    Song, Xueyu

    2014-03-01

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

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

    Science.gov (United States)

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

    2014-07-01

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

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

    Science.gov (United States)

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

    2017-04-07

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

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

    Science.gov (United States)

    Miltner, Anja; Achtenhagen, Jan; Kästner, Matthias

    2017-04-01

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

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

    Directory of Open Access Journals (Sweden)

    Fengqi Xu

    2018-05-01

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

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

    Science.gov (United States)

    Rinken, T; Riik, H

    2006-03-31

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

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

    Science.gov (United States)

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

    2013-03-08

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

  16. 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.

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

    Science.gov (United States)

    Shah, Dhawal; Shaikh, Abdul Rajjak

    2016-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Noll Veronika

    2017-03-01

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

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

    Science.gov (United States)

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

    2017-02-20

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

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

    Science.gov (United States)

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

    2012-10-01

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

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

    Directory of Open Access Journals (Sweden)

    Nimisha Amist

    2014-08-01

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

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

    Science.gov (United States)

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

    2016-10-06

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

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

    Directory of Open Access Journals (Sweden)

    Majid Jafari

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

  4. Reaction channel coupling effects for nucleons on 16O: Induced undularity and proton-neutron potential differences

    Science.gov (United States)

    Keeley, N.; Mackintosh, R. S.

    2018-01-01

    Background: Precise fitting of scattering observables suggests that the nucleon-nucleus interaction is l dependent. Such l dependence has been shown to be S -matrix equivalent to an undulatory l -independent potential. The undulations include radial regions where the imaginary term is emissive. Purpose: To study the dynamical polarization potential (DPP) generated in proton-16O and neutron-16O interaction potentials by coupling to pickup channels. Undulatory features occurring in these DPPs can be compared with corresponding features of empirical optical model potentials (OMPs). Furthermore, the additional inclusion of coupling to vibrational states of the target will provide evidence for dynamically generated nonlocality. Methods: The fresco code provides the elastic channel S -matrix Sl j for chosen channel couplings. Inversion, Sl j→V (r ) +l .s VSO(r ) , followed by subtraction of the bare potential, yields an l -independent and local representation of the DPP due to the chosen couplings. Results: The DPPs have strongly undulatory features, including radial regions of emissivity. Certain features of empirical DPPs appear, e.g., the full inverted potential has emissive regions. The DPPs for different collective states are additive except near the nuclear center, whereas the collective and reaction channel DPPs are distinctly nonadditive over a considerable radial range, indicating dynamical nonlocality. Substantial differences between the DPPs due to pickup coupling for protons and neutrons occur; these imply a greater difference between proton and neutron OMPs than the standard phenomenological prescription. Conclusions: The onus is on those who object to undularity in the local and l -independent representation of nucleon elastic scattering to show why such undulations do not occur. This work suggests that it is not legitimate to halt model-independent fits to high-quality data at the appearance of undularity.

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

    DEFF Research Database (Denmark)

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

    2008-01-01

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

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

    Science.gov (United States)

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

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

    Science.gov (United States)

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

    2017-07-01

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

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

    Science.gov (United States)

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

    2016-08-23

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

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

    Directory of Open Access Journals (Sweden)

    Hideaki Ando

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

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

    Science.gov (United States)

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

    2013-02-01

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

  11. 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

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

    Science.gov (United States)

    Koka, Kanthaiah; Litvak, Leonid M

    2017-01-01

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

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

    Science.gov (United States)

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

    2011-01-01

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

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

    Science.gov (United States)

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

    2017-01-01

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

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

    International Nuclear Information System (INIS)

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

    1978-01-01

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

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

    Science.gov (United States)

    Narula, Gagandeep; Tse-Dinh, Yuk-Ching

    2012-01-01

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

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

    DEFF Research Database (Denmark)

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

    2005-01-01

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

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

    Science.gov (United States)

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

    2009-08-05

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

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

    Directory of Open Access Journals (Sweden)

    McDermott Drew

    2009-08-01

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

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

    Science.gov (United States)

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

    2011-01-10

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

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

    Science.gov (United States)

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

    2011-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Carlo Baldassi

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

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

    Science.gov (United States)

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

    2014-01-01

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

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

    Science.gov (United States)

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

    2017-08-01

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

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

    Science.gov (United States)

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

    2017-01-01

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

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

    CERN Document Server

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

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

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

    Directory of Open Access Journals (Sweden)

    Gabrielle Stetz

    2017-01-01

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

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

    Science.gov (United States)

    Heim, Andrew J.; Li, Zhijun

    2012-03-01

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

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

    International Nuclear Information System (INIS)

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

    1999-01-01

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

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

    Science.gov (United States)

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

    2018-01-31

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

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

    Science.gov (United States)

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

    2009-08-25

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

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

    Science.gov (United States)

    Pal, Tuhin Kumar; Sankararamakrishnan, Ramasubbu

    2008-08-01

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

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

    International Nuclear Information System (INIS)

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

    1991-01-01

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Dewberry, R.A.

    1980-08-01

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

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

    International Nuclear Information System (INIS)

    Raceanu, Laura

    2011-01-01

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

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

    Science.gov (United States)

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

    2000-10-15

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

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

    Science.gov (United States)

    Jabeen, Uzma; Salim, Asmat

    2013-10-01

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

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

    Science.gov (United States)

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

    2010-04-01

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

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

    Directory of Open Access Journals (Sweden)

    Hana eUhlíková

    2016-02-01

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

  1. 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.

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

    Science.gov (United States)

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

    2014-02-06

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

  3. Residual deposits (residual soil)

    International Nuclear Information System (INIS)

    Khasanov, A.Kh.

    1988-01-01

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

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

    Science.gov (United States)

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

    2013-01-01

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

  5. 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.

  6. Uncovering the local inelastic interactions during manufacture of ductile cast iron: How the substructure of the graphite particles can induce residual stress concentrations in the matrix

    DEFF Research Database (Denmark)

    Andriollo, Tito; Hellström, Kristina; Sonne, Mads Rostgaard

    2018-01-01

    Recent X-ray diffraction (XRD) measurements have revealed that plastic deformation and a residual elastic strain field can be present around the graphite particles in ductile cast iron after manufacturing, probably due to some local mismatch in thermal contraction. However, as only one component...... of the elastic strain tensor could be obtained from the XRD data, the shape and magnitude of the associated residual stress field have remained unknown. To compensate for this and to provide theoretical insight into this unexplored topic, a combined experimental-numerical approach is presented in this paper....... First, a ma terial equivalent to the ductile cast iron matrix is manufactured and subjected to dilato- metric and high-temperature tensile tests. Subsequently, a two-scale hierarchical top-down model is devised, calibrated on the basis of the collected data and used to simulate the interaction between...

  7. Influenza human monoclonal antibody 1F1 interacts with three major antigenic sites and residues mediating human receptor specificity in H1N1 viruses.

    Directory of Open Access Journals (Sweden)

    Tshidi Tsibane

    Full Text Available Most monoclonal antibodies (mAbs to the influenza A virus hemagglutinin (HA head domain exhibit very limited breadth of inhibitory activity due to antigenic drift in field strains. However, mAb 1F1, isolated from a 1918 influenza pandemic survivor, inhibits select human H1 viruses (1918, 1943, 1947, and 1977 isolates. The crystal structure of 1F1 in complex with the 1918 HA shows that 1F1 contacts residues that are classically defined as belonging to three distinct antigenic sites, Sa, Sb and Ca(2. The 1F1 heavy chain also reaches into the receptor binding site (RBS and interacts with residues that contact sialoglycan receptors and determine HA receptor specificity. The 1F1 epitope is remarkably similar to the previously described murine HC63 H3 epitope, despite significant sequence differences between H1 and H3 HAs. Both antibodies potently inhibit receptor binding, but only HC63 can block the pH-induced conformational changes in HA that drive membrane fusion. Contacts within the RBS suggested that 1F1 may be sensitive to changes that alter HA receptor binding activity. Affinity assays confirmed that sequence changes that switch the HA to avian receptor specificity affect binding of 1F1 and a mAb possessing a closely related heavy chain, 1I20. To characterize 1F1 cross-reactivity, additional escape mutant selection and site-directed mutagenesis were performed. Residues 190 and 227 in the 1F1 epitope were found to be critical for 1F1 reactivity towards 1918, 1943 and 1977 HAs, as well as for 1I20 reactivity towards the 1918 HA. Therefore, 1F1 heavy-chain interactions with conserved RBS residues likely contribute to its ability to inhibit divergent HAs.

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

    OpenAIRE

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

    2016-01-01

    Abstract BACKGROUND Fungicide residues on fruit may adversely affect yeast during cider fermentation, leading to sluggish or stuck fermentation or the production of hydrogen sulfide (H2S), which is an undesirable aroma compound. This phenomenon has been studied in grape fermentation but not in apple fermentation. Low nitrogen availability, which is characteristic of apples, may further exacerbate the effects of fungicides on yeast during fermentation. The present study explored the effects of...

  9. Exploring the molecular mechanism of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular dynamics simulation and residue interaction network analysis.

    Science.gov (United States)

    Xue, Weiwei; Jin, Xiaojie; Ning, Lulu; Wang, Meixia; Liu, Huanxiang; Yao, Xiaojun

    2013-01-28

    The rapid emergence of cross-resistance to the integrase strand transfer inhibitors (INSTIs) has become a serious problem in the therapy of human immunodeficiency virus type 1 (HIV-1) infection. Understanding the detailed molecular mechanism of INSTIs cross-resistance is therefore critical for the development of new effective therapy against cross-resistance. On the basis of the homology modeling constructed structure of tetrameric HIV-1 intasome, the detailed molecular mechanism of the cross-resistance mutation E138K/Q148K to three important INSTIs (Raltegravir (RAL, FDA approved in 2007), Elvitegravir (EVG, FDA approved in 2012), and Dolutegravir (DTG, phase III clinical trials)) was investigated by using molecular dynamics (MD) simulation and residue interaction network (RIN) analysis. The results from conformation analysis and binding free energy calculation can provide some useful information about the detailed binding mode and cross-resistance mechanism for the three INSTIs to HIV-1 intasome. Binding free energy decomposition analysis revealed that Pro145 residue in the 140s 1oop (Gly140 to Gly149) of the HIV-1 intasome had strong hydrophobic interactions with INSTIs and played an important role in the binding of INSTIs to HIV-1 intasome active site. A systematic comparison and analysis of the RIN proves that the communications between the residues in the resistance mutant is increased when compared with that of the wild-type HIV-1 intasome. Further analysis indicates that residue Pro145 may play an important role and is relevant to the structure rearrangement in HIV-1 intasome active site. In addition, the chelating ability of the oxygen atoms in INSTIs (e.g., RAL and EVG) to Mg(2+) in the active site of the mutated intasome was reduced due to this conformational change and is also responsible for the cross-resistance mechanism. Notably, the cross-resistance mechanism we proposed could give some important information for the future rational design of novel

  10. Generation of a residual current by interaction between the coastal boundary-layer and the ekman layer in a tidal motion

    OpenAIRE

    Aelbrecht, D; Dhieres, Gc; Zhang, Xz

    1993-01-01

    Some experiments have been made with the large rotating tank at the Institut de Mecanique de Grenoble to reproduce a sinusoidal flow along a vertical wall, over a flat bottom, with or without slope, in a homogeneous fluid. The objective of these experiments was to simulate a tidal motion, restricted to its main harmonic component M2, parallel to a vertical coast; and to demonstrate a particular mode of generation of residual circulation near the coast as a result of the interaction between fr...

  11. Optimal definition of inter-residual contact in globular proteins based on pairwise interaction energy calculations, its robustness, and applications.

    Science.gov (United States)

    Fačkovec, Boris; Vondrášek, Jiří

    2012-10-25

    Although a contact is an essential measurement for the topology as well as strength of non-covalent interactions in biomolecules and their complexes, there is no general agreement in the definition of this feature. Most of the definitions work with simple geometric criteria which do not fully reflect the energy content or ability of the biomolecular building blocks to arrange their environment. We offer a reasonable solution to this problem by distinguishing between "productive" and "non-productive" contacts based on their interaction energy strength and properties. We have proposed a method which converts the protein topology into a contact map that represents interactions with statistically significant high interaction energies. We do not prove that these contacts are exclusively stabilizing, but they represent a gateway to thermodynamically important rather than geometry-based contacts. The process is based on protein fragmentation and calculation of interaction energies using the OPLS force field and relies on pairwise additivity of amino acid interactions. Our approach integrates the treatment of different types of interactions, avoiding the problems resulting from different contributions to the overall stability and the different effect of the environment. The first applications on a set of homologous proteins have shown the usefulness of this classification for a sound estimate of protein stability.

  12. Importance of a Conserved Lys/Arg Residue for Ligand/PDZ Domain Interactions as Examined by Protein Semisynthesis

    DEFF Research Database (Denmark)

    Pedersen, Søren W; Moran, Griffin E; Sereikaité, Vita

    2016-01-01

    PDZ domains are ubiquitous small protein domains that are mediators of numerous protein-protein interactions, and play a pivotal role in protein trafficking, synaptic transmission, and the assembly of signaling-transduction complexes. In recent years, PDZ domains have emerged as novel and exciting...... drug targets for diseases (in the brain in particular), so understanding the molecular details of PDZ domain interactions is of fundamental importance. PDZ domains bind to a protein partner at either a C-terminal peptide or internal peptide motifs. Here, we examined the importance of a conserved Lys...... into the mechanism of PDZ/ligand interaction....

  13. A cation-π interaction at a phenylalanine residue in the glycine receptor binding site is conserved for different agonists

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Hanek, Ariele P; Price, Kerry L

    2011-01-01

    . In the current study, we investigated whether the lower efficacy agonists of the human GlyR β-alanine and taurine also form cation-π interactions with Phe159. By incorporating a series of unnatural amino acids, we found cation-π interactions between Phe159 and the amino groups of β-alanine and taurine....... The strengths of these interactions were significantly weaker than for glycine. Modeling studies suggest that β-alanine and taurine are orientated subtly differently in the binding pocket, with their amino groups further from Phe159 than that of glycine. These data therefore show that similar agonists can have...... similar but not identical orientations and interactions in the binding pocket and provide a possible explanation for the lower potencies of β-alanine and taurine....

  14. Chemical Control of Black Flies in Large Rivers as an Impact in Agrochemical Residue-Biota Interactions in Water Ecosystems

    International Nuclear Information System (INIS)

    Haufe, W.O.

    1981-01-01

    Livestock losses have been an obstacle to economic development of the farming and livestock industry in more northerly areas of Canada until two species of black fly, Simulium arcticum and S. luggeri, outbreaks are controlled effectively. The problem is complicated by its association with an abundance of large rivers and streams. Since effective control of black flies is presently limited to reduction of their breeding sources in flowing water, the managers of Canadian inland waters have been concerned about any major practice of using pesticides as black fly larvicides. Consequently, Canadian inland waters have been subject to continuous monitoring of major drainage systems with special attention to the chlorinated hydrocarbon insecticides. The latest status of residues was published from a Canadian Survey of 333 sampling locations between 1972 and 1975

  15. Recognition of 5'-YpG-3' sequences by coupled stacking/hydrogen bonding interactions with amino acid residues.

    Science.gov (United States)

    Lamoureux, Jason S; Maynes, Jason T; Glover, J N Mark

    2004-01-09

    The combined biochemical and structural study of hundreds of protein-DNA complexes has indicated that sequence-specific interactions are mediated by two mechanisms termed direct and indirect readout. Direct readout involves direct interactions between the protein and base-specific atoms exposed in the major and minor grooves of DNA. For indirect readout, the protein recognizes DNA by sensing conformational variations in the structure dependent on nucleotide sequence, typically through interactions with the phosphodiester backbone. Based on our recent structure of Ndt80 bound to DNA in conjunction with a search of the existing PDB database, we propose a new method of sequence-specific recognition that utilizes both direct and indirect readout. In this mode, a single amino acid side-chain recognizes two consecutive base-pairs. The 3'-base is recognized by canonical direct readout, while the 5'-base is recognized through a variation of indirect readout, whereby the conformational flexibility of the particular dinucleotide step, namely a 5'-pyrimidine-purine-3' step, facilitates its recognition by the amino acid via cation-pi interactions. In most cases, this mode of DNA recognition helps explain the sequence specificity of the protein for its target DNA.

  16. Spring Chinook Salmon Interactions Indices and Residual/Precocial Monitoring in the Upper Yakima Basin; Yakima/Klickitat Fisheries Project Monitoring and Evaluation, 2001-2002 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Pearsons, Todd N.; James, Brenda B.; Johnson, Christopher L. (Washington Department of Fish and Wildlife, Olympia, WA)

    2003-05-01

    This report examines some of the factors that can influence the success of supplementation, which is currently being tested in the Yakima Basin using upper Yakima stock of spring chinook salmon. Supplementation success in the Yakima Basin is defined relative to four topic areas: natural production, genetics, ecological interactions, and harvest (Busack et al. 1997). The success of spring chinook salmon supplementation in the Yakima Basin is dependent, in part, upon fish culture practices and favorable physical and biological conditions in the natural environment (Busack et al. 1997). Shortfalls in either of these two topics (i.e., failure in culturing many fish that have high long-term fitness or environmental conditions that constrain spring chinook salmon production) will cause supplementation success to be limited. For example, inadvertent selection or propagation of spring chinook that residualize or precocially mature may hinder supplementation success. Spring chinook salmon that residualize (do not migrate during the normal migration period) may have lower survival rates than migrants and, additionally, may interact with wild fish and cause unacceptable impacts to non-target taxa. Large numbers of precocials (nonanadromous spawners) may increase competition for females and significantly skew ratios of offspring sired by nonanadromous males, which could result in more nonanadromous spring chinook in future generations. Conditions in the natural environment may also limit the success of spring chinook supplementation. For example, intra or interspecific competition may constrain spring chinook salmon production. Spring chinook salmon juveniles may compete with each other for food or space or compete with other species that have similar ecological requirements. Monitoring of spring chinook salmon residuals, precocials, prey abundance, carrying capacity, and competition will help researchers interpret why supplementation is working or not working (Busack et al

  17. Uncovering the local inelastic interactions during manufacture of ductile cast iron: How the substructure of the graphite particles can induce residual stress concentrations in the matrix

    Science.gov (United States)

    Andriollo, Tito; Hellström, Kristina; Sonne, Mads Rostgaard; Thorborg, Jesper; Tiedje, Niels; Hattel, Jesper

    2018-02-01

    Recent X-ray diffraction (XRD) measurements have revealed that plastic deformation and a residual elastic strain field can be present around the graphite particles in ductile cast iron after manufacturing, probably due to some local mismatch in thermal contraction. However, as only one component of the elastic strain tensor could be obtained from the XRD data, the shape and magnitude of the associated residual stress field have remained unknown. To compensate for this and to provide theoretical insight into this unexplored topic, a combined experimental-numerical approach is presented in this paper. First, a material equivalent to the ductile cast iron matrix is manufactured and subjected to dilatometric and high-temperature tensile tests. Subsequently, a two-scale hierarchical top-down model is devised, calibrated on the basis of the collected data and used to simulate the interaction between the graphite particles and the matrix during manufacturing of the industrial part considered in the XRD study. The model indicates that, besides the viscoplastic deformation of the matrix, the effect of the inelastic deformation of the graphite has to be considered to explain the magnitude of the XRD strain. Moreover, the model shows that the large elastic strain perturbations recorded with XRD close to the graphite-matrix interface are not artifacts due to e.g. sharp gradients in chemical composition, but correspond to residual stress concentrations induced by the conical sectors forming the internal structure of the graphite particles. In contrast to common belief, these results thus suggest that ductile cast iron parts cannot be considered, in general, as stress-free at the microstructural scale.

  18. Electron, proton, neutron as spheroidical particles

    International Nuclear Information System (INIS)

    Bagge, E.R.

    1993-01-01

    It is shown that it is possible to describe the electron and the proton at rest within the framework of Dirac's relativistic theory of particles as electro-magnetic stable, spheroidal particles like balloons with very thin envelopes. Their properties, especially their spins and their magnetic momenta, are exactly those, which have been measured at first and later on derived by Dirac. In this picture the neutron plays the role of a system of two concentric and synchronically rotating balloons with a small distance between them at a positive energetic minimum of balance at 1.26 MeV. The magnetic moment of this particle has a negative sign and is of the correct size. (orig.)

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

    CERN Document Server

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

    2012-01-01

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

  20. The Shigella flexneri OmpA amino acid residues 188EVQ190 are essential for the interaction with the virulence factor PhoN2.

    Science.gov (United States)

    Scribano, Daniela; Damico, Rosanna; Ambrosi, Cecilia; Superti, Fabiana; Marazzato, Massimiliano; Conte, Maria Pia; Longhi, Catia; Palamara, Anna Teresa; Zagaglia, Carlo; Nicoletti, Mauro

    2016-12-01

    Shigella flexneri is an intracellular pathogen that deploys an arsenal of virulence factors promoting host cell invasion, intracellular multiplication and intra- and inter-cellular dissemination. We have previously reported that the interaction between apyrase (PhoN2), a periplasmic ATP-diphosphohydrolase, and the C-terminal domain of the outer membrane (OM) protein OmpA is likely required for proper IcsA exposition at the old bacterial pole and thus for full virulence expression of Shigella flexneri (Scribano et al., 2014). OmpA, that is the major OM protein of Gram-negative bacteria, is a multifaceted protein that plays many different roles both in the OM structural integrity and in the virulence of several pathogens. Here, by using yeast two-hybrid technology and by constructing an in silico 3D model of OmpA from S. flexneri 5a strain M90T, we observed that the OmpA residues 188 EVQ 190 are likely essential for PhoN2-OmpA interaction. The 188 EVQ 190 amino acids are located within a flexible region of the OmpA protein that could represent a scaffold for protein-protein interaction.

  1. Two-quasineutron states in 98248Cf and 98250Cf and the neutron-neutron residual interactions

    International Nuclear Information System (INIS)

    Katori, K.; Ahmad, I.; Friedman, A. M.

    2008-01-01

    Two-quasineutron states in 248 Cf and 250 Cf were investigated by single-neutron transfer reactions, 249 Cf(d,t) 248 Cf and 249 Cf(d,p) 250 Cf. The majority of levels observed were assigned to 12 bands in 248 Cf and six bands in 250 Cf, constructed from the single-particle states in neighboring Cf nuclei. The effective two-body interactions between two odd neutrons coupled outside a deformed core were deduced from the differences in the energies of the bandheads formed by the parallel and antiparallel coupling of the intrinsic spins of the two single-particle states

  2. /sup 13/C nuclear magnetic resonance study of the interaction of ligands with arginine residues in dihydrofolate reductase

    Energy Technology Data Exchange (ETDEWEB)

    Cocco, L. (Univ. of Iowa, Iowa City); Blakley, R.L.; Walker, T.E.; London, R.E.

    1977-01-01

    /sup 13/C NMR spectra of Streptococcus faecium dihydrofolate reductase containing (/sup 13/C-guanidino) arginine and ligand complexes with the labeled enzyme are reported. The spectrum of the native enzyme shows 5 well-resolved resonances (the enzyme contains 8 Arg) with a chemical shift range of 1.2 ppM. Addition of ligands to the enzyme produces distinct changes in the enzyme spectrum, and demonstrates that /sup 13/C NMR of labeled protein can be used in studies of protein-ligand interactions. An example of the use of /sup 13/C-depleted material is also presented.

  3. Interaction of acid mine drainage with Ordinary Portland Cement blended solid residues generated from active treatment of acid mine drainage with coal fly ash.

    Science.gov (United States)

    Gitari, Wilson M; Petrik, Leslie F; Key, David L; Okujeni, Charles

    2011-01-01

    Fly ash (FA) has been investigated as a possible treatment agent for Acid mine drainage (AMD) and established to be an alternative, cheap and economically viable agent compared to the conventional alkaline agents. However, this treatment option also leads to generation of solid residues (SR) that require disposal and one of the proposed disposal method is a backfill in coal mine voids. In this study, the interaction of the SR with AMD that is likely to be present in such backfill scenario was simulated by draining columns packed with SR and SR + 6% Ordinary Portland Cement (OPC) unsaturated with simulated AMD over a 6 month period. The evolving geochemistry of the liquid/solid (L/S) system was evaluated in-terms of the mineral phases likely or controlling contaminants attenuation at the different pH regimes generated. Stepwise acidification of the percolates was observed as the drainage progressed. Two pH buffer zones were observed (7.5-9 and 3-4) for SR and (11.2-11.3 and 3.5-4) for SR + 6% OPC. The solid residue cores (SR) appeared to have a significant buffering capacity, maintaining a neutral to slightly alkaline pH in the leachates for an extended period of time (97 days: L/S 4.3) while SR + 6% OPC reduced this neutralization capacity to 22 days (L/S 1.9). Interaction of AMD with SR or SR + 6% OPC generated alkaline conditions that favored precipitation of Fe, Al, Mn-(oxy) hydroxides, Fe and Ca-Al hydroxysulphates that greatly contributed to the contaminants removal. However, precipitation of these phases was restricted to the pH of the leachates remaining at neutral to circum-neutral levels. Backfill of mine voids with SR promises to be a feasible technology for the disposal of the SR but its success will greatly depend on the disposal scenario, AMD generated and the alkalinity generating potential of the SR. A disadvantage would be the possible re-dissolution of the precipitated phases at pH water column. However extrapolation of this concept to a field

  4. LEDGIN-mediated Inhibition of Integrase–LEDGF/p75 Interaction Reduces Reactivation of Residual Latent HIV

    Directory of Open Access Journals (Sweden)

    Lenard S. Vranckx

    2016-06-01

    Full Text Available Persistence of latent, replication-competent Human Immunodeficiency Virus type 1 (HIV-1 provirus is the main impediment towards a cure for HIV/AIDS (Acquired Immune Deficiency Syndrome. Therefore, different therapeutic strategies to eliminate the viral reservoirs are currently being explored. We here propose a novel strategy to reduce the replicating HIV reservoir during primary HIV infection by means of drug-induced retargeting of HIV integration. A novel class of integration inhibitors, referred to as LEDGINs, inhibit the interaction between HIV integrase and the LEDGF/p75 host cofactor, the main determinant of lentiviral integration site selection. We show for the first time that LEDGF/p75 depletion hampers HIV-1 reactivation in cell culture. Next we demonstrate that LEDGINs relocate and retarget HIV integration resulting in a HIV reservoir that is refractory to reactivation by different latency-reversing agents. Taken together, these results support the potential of integrase inhibitors that modulate integration site targeting to reduce the likeliness of viral rebound.

  5. LEDGIN-mediated Inhibition of Integrase-LEDGF/p75 Interaction Reduces Reactivation of Residual Latent HIV.

    Science.gov (United States)

    Vranckx, Lenard S; Demeulemeester, Jonas; Saleh, Suha; Boll, Annegret; Vansant, Gerlinde; Schrijvers, Rik; Weydert, Caroline; Battivelli, Emilie; Verdin, Eric; Cereseto, Anna; Christ, Frauke; Gijsbers, Rik; Debyser, Zeger

    2016-06-01

    Persistence of latent, replication-competent Human Immunodeficiency Virus type 1 (HIV-1) provirus is the main impediment towards a cure for HIV/AIDS (Acquired Immune Deficiency Syndrome). Therefore, different therapeutic strategies to eliminate the viral reservoirs are currently being explored. We here propose a novel strategy to reduce the replicating HIV reservoir during primary HIV infection by means of drug-induced retargeting of HIV integration. A novel class of integration inhibitors, referred to as LEDGINs, inhibit the interaction between HIV integrase and the LEDGF/p75 host cofactor, the main determinant of lentiviral integration site selection. We show for the first time that LEDGF/p75 depletion hampers HIV-1 reactivation in cell culture. Next we demonstrate that LEDGINs relocate and retarget HIV integration resulting in a HIV reservoir that is refractory to reactivation by different latency-reversing agents. Taken together, these results support the potential of integrase inhibitors that modulate integration site targeting to reduce the likeliness of viral rebound. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

  6. Residuation theory

    CERN Document Server

    Blyth, T S; Sneddon, I N; Stark, M

    1972-01-01

    Residuation Theory aims to contribute to literature in the field of ordered algebraic structures, especially on the subject of residual mappings. The book is divided into three chapters. Chapter 1 focuses on ordered sets; directed sets; semilattices; lattices; and complete lattices. Chapter 2 tackles Baer rings; Baer semigroups; Foulis semigroups; residual mappings; the notion of involution; and Boolean algebras. Chapter 3 covers residuated groupoids and semigroups; group homomorphic and isotone homomorphic Boolean images of ordered semigroups; Dubreil-Jacotin and Brouwer semigroups; and loli

  7. The Effect of Cholesterol on the Long-Range Network of Interactions Established among Sea Anemone Sticholysin II Residues at the Water-Membrane Interface

    Directory of Open Access Journals (Sweden)

    Sara García-Linares

    2015-03-01

    Full Text Available Actinoporins are α-pore forming proteins with therapeutic potential, produced by sea anemones. Sticholysin II (StnII from Stichodactyla helianthus is one of its most extensively characterized members. These proteins remain stably folded in water, but upon interaction with lipid bilayers, they oligomerize to form a pore. This event is triggered by the presence of sphingomyelin (SM, but cholesterol (Chol facilitates pore formation. Membrane attachment and pore formation require changes involving long-distance rearrangements of residues located at the protein-membrane interface. The influence of Chol on membrane recognition, oligomerization, and/or pore formation is now studied using StnII variants, which are characterized in terms of their ability to interact with model membranes in the presence or absence of Chol. The results obtained frame Chol not only as an important partner for SM for functional membrane recognition but also as a molecule which significantly reduces the structural requirements for the mentioned conformational rearrangements to occur. However, given that the DOPC:SM:Chol vesicles employed display phase coexistence and have domain boundaries, the observed effects could be also due to the presence of these different phases on the membrane. In addition, it is also shown that the Arg51 guanidinium group is strictly required for membrane recognition, independently of the presence of Chol.

  8. Potential of lignin from Canna edulis ker residue in the inhibition of α-d-glucosidase: Kinetics and interaction mechanism merging with docking simulation.

    Science.gov (United States)

    Xie, Fan; Gong, Shengxiang; Zhang, Wei; Wu, Jinhong; Wang, Zhengwu

    2017-02-01

    In this study, we extracted lignin from Canna edulis ker residue. Its chemical structure, inhibitory activity on α-d-glucosidase, and kinetics as well as interaction mechanism were investigated by using spectrum analysis and docking simulation. The isolated lignin was composed by guaiacyl and syringal units, and exhibited stronger inhibition on α-d-glucosidase than acarbose with the half maximal inhibitory concentration at 5.3±0.3μM. It was a non-competitive inhibitior with K m and K i values of 0.53±0.02mM and 0.92±0.12μM, respectively. It could quench the intrinsic fluorescence of α-d-glucosidase through a static quenching mode. The calculated values of enthalpy and entropy change were 20.8±2.5kJmol -1 and 172.7±0.8Jmol -1 K -1 , respectively. There was a single binding site on α-d-glucosidase for lignin, and the binding distance was 3.2nm. The molecular docking analysis exhibited that the hydrogen bonds, hydropholic interaction, and van der Waals forces were the main forces for lignin bind to α-d-glucosidase. This work provides a new insight into the interaction between the lignin and α-d-glucosidase, which might be beneficial to type 2 diabetes with the application of lignin in functional food and pharmacy fields. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Observational Data Analysis and Numerical Model Assessment of the Seafloor Interaction and Mobility of Sand and Weathered Oil Agglomerates (Surface Residual Balls) in the Surf Zone

    Science.gov (United States)

    Dalyander, S.; Long, J.; Plant, N. G.; Penko, A.; Calantoni, J.; Thompson, D.; Mclaughlin, M. K.

    2014-12-01

    When weathered oil is transported ashore, such as during the Deepwater Horizon oil spill, it can mix with suspended sediment in the surf zone to create heavier-than-water sand and oil agglomerates in the form of mats several centimeters thick and tens of meters long. Broken off pieces of these mats and smaller agglomerates formed in situ (called Surface Residual Balls, SRBs) can cause beach re-oiling months to years after the initial spill. The physical dynamics of these SRBs in the nearshore, where they are larger (cm-scale) and less dense than natural sediment, are poorly understood. In the current study, SRB mobility and seafloor interaction is investigated through a combination of laboratory and field experiments with pseudo-SRBs developed to be physically stable proxies for genuine agglomerates. Formulations for mobility prediction based on comparing estimated shear stress to the critical Shields and modified Shields parameters developed for mixed sediment beds are assessed against observations. Processes such as burial, exhumation, and interaction with bedforms (e.g., migrating ripples) are also explored. The observations suggest that incipient motion estimates based on a modified Shields parameter have some skill in predicting SRB movement, but that other forcing mechanisms such as pressure gradients may be important under some conditions. Additionally, burial and exhumation due to the relatively high mobility of sand grains are confirmed as key processes controlling SRB dynamics in the surf zone. This work has broad implications for understanding surf zone sediment transport at the short timescale associated with mobilizing sand grains and SRBs as well as at the longer timescales associated with net transport patterns, sediment budgets, and bed elevation changes.

  10. Hydrophobic interaction between contiguous residues in the S6 transmembrane segment acts as a stimuli integration node in the BK channel

    Science.gov (United States)

    Carrasquel-Ursulaez, Willy; Contreras, Gustavo F.; Sepúlveda, Romina V.; Aguayo, Daniel; González-Nilo, Fernando

    2015-01-01

    Large-conductance Ca2+- and voltage-activated K+ channel (BK) open probability is enhanced by depolarization, increasing Ca2+ concentration, or both. These stimuli activate modular voltage and Ca2+ sensors that are allosterically coupled to channel gating. Here, we report a point mutation of a phenylalanine (F380A) in the S6 transmembrane helix that, in the absence of internal Ca2+, profoundly hinders channel opening while showing only minor effects on the voltage sensor active–resting equilibrium. Interpretation of these results using an allosteric model suggests that the F380A mutation greatly increases the free energy difference between open and closed states and uncouples Ca2+ binding from voltage sensor activation and voltage sensor activation from channel opening. However, the presence of a bulky and more hydrophobic amino acid in the F380 position (F380W) increases the intrinsic open–closed equilibrium, weakening the coupling between both sensors with the pore domain. Based on these functional experiments and molecular dynamics simulations, we propose that F380 interacts with another S6 hydrophobic residue (L377) in contiguous subunits. This pair forms a hydrophobic ring important in determining the open–closed equilibrium and, like an integration node, participates in the communication between sensors and between the sensors and pore. Moreover, because of its effects on open probabilities, the F380A mutant can be used for detailed voltage sensor experiments in the presence of permeant cations. PMID:25548136

  11. Residue processing

    Energy Technology Data Exchange (ETDEWEB)

    Gieg, W.; Rank, V.

    1942-10-15

    In the first stage of coal hydrogenation, the liquid phase, light and heavy oils were produced; the latter containing the nonliquefied parts of the coal, the coal ash, and the catalyst substances. It was the problem of residue processing to extract from these so-called let-down oils that which could be used as pasting oils for the coal. The object was to obtain a maximum oil extraction and a complete removal of the solids, because of the latter were returned to the process they would needlessly burden the reaction space. Separation of solids in residue processing could be accomplished by filtration, centrifugation, extraction, distillation, or low-temperature carbonization (L.T.C.). Filtration or centrifugation was most suitable since a maximum oil yield could be expected from it, since only a small portion of the let-down oil contained in the filtration or centrifugation residue had to be thermally treated. The most satisfactory centrifuge at this time was the Laval, which delivered liquid centrifuge residue and centrifuge oil continuously. By comparison, the semi-continuous centrifuges delivered plastic residues which were difficult to handle. Various apparatus such as the spiral screw kiln and the ball kiln were used for low-temperature carbonization of centrifuge residues. Both were based on the idea of carbonization in thin layers. Efforts were also being made to produce electrode carbon and briquette binder as by-products of the liquid coal phase.

  12. Structure-based network analysis of activation mechanisms in the ErbB family of receptor tyrosine kinases: the regulatory spine residues are global mediators of structural stability and allosteric interactions.

    Directory of Open Access Journals (Sweden)

    Kevin A James

    Full Text Available The ErbB protein tyrosine kinases are among the most important cell signaling families and mutation-induced modulation of their activity is associated with diverse functions in biological networks and human disease. We have combined molecular dynamics simulations of the ErbB kinases with the protein structure network modeling to characterize the reorganization of the residue interaction networks during conformational equilibrium changes in the normal and oncogenic forms. Structural stability and network analyses have identified local communities integrated around high centrality sites that correspond to the regulatory spine residues. This analysis has provided a quantitative insight to the mechanism of mutation-induced "superacceptor" activity in oncogenic EGFR dimers. We have found that kinase activation may be determined by allosteric interactions between modules of structurally stable residues that synchronize the dynamics in the nucleotide binding site and the αC-helix with the collective motions of the integrating αF-helix and the substrate binding site. The results of this study have pointed to a central role of the conserved His-Arg-Asp (HRD motif in the catalytic loop and the Asp-Phe-Gly (DFG motif as key mediators of structural stability and allosteric communications in the ErbB kinases. We have determined that residues that are indispensable for kinase regulation and catalysis often corresponded to the high centrality nodes within the protein structure network and could be distinguished by their unique network signatures. The optimal communication pathways are also controlled by these nodes and may ensure efficient allosteric signaling in the functional kinase state. Structure-based network analysis has quantified subtle effects of ATP binding on conformational dynamics and stability of the EGFR structures. Consistent with the NMR studies, we have found that nucleotide-induced modulation of the residue interaction networks is not

  13. Residue-Ligand Interaction Energy (ReLIE on a Receptor-Dependent 3D-QSAR Analysis of S- and NH-DABOs as Non-Nucleoside Reverse Transcriptase Inhibitors

    Directory of Open Access Journals (Sweden)

    Monique Araújo de Brito

    2012-06-01

    Full Text Available A series of 74 dihydroalkoxybenzyloxopyrimidines (DABOs, a class of highly potent non-nucleoside reverse transcriptase inhibitors (NNRTIs, was retrieved from the literature and studied by receptor-dependent (RD three-dimensional quantitative structure-activity relationship (3D-QSAR analysis to derive RD-3D-QSAR models. The descriptors in this new method are the steric and electrostatic interaction energies of the protein-ligand complexes (per residue simulated by molecular dynamics, an approach named Residue-Ligand Interaction Energy (ReLIE. This study was performed using a training set of 59 compounds and the MKC-442/RT complex structure as reference. The ReLIE-3D-QSAR models were constructed and evaluated by genetic algorithm (GA and partial least squares (PLS. In the best equations, at least one term is related to one of the amino acid residues of the p51 subunit: Asn136, Asn137, Glu138, and Thr139. This fact implies the importance of interchain interaction (p66-p51 in the equations that best describe the structure-activity relationship for this class of compounds. The best equation shows q2 = 0.660, SEcv = 0.500, r2 = 0.930, and SEE = 0.226. The external predictive ability of this best model was evaluated using a test set of 15 compounds. In order to design more potent DABO analogues as anti-HIV/AIDS agents, substituents capable of interactions with residues like Ile94, Lys101, Tyr181, and Tyr188 should be selected. Also, given the importance of the conserved Asn136, this residue could become an attractive target for the design of novel NNRTIs with improved potency and increased ability to avoid the development of drug-resistant viruses.

  14. Positively charged residues at the five-fold symmetry axis of cell culture-adapted foot-and-mouth disease virus permit novel receptor interactions.

    Science.gov (United States)

    Berryman, Stephen; Clark, Stuart; Kakker, Naresh K; Silk, Rhiannon; Seago, Julian; Wadsworth, Jemma; Chamberlain, Kyle; Knowles, Nick J; Jackson, Terry

    2013-08-01

    Field isolates of foot-and-mouth disease virus (FMDV) have a restricted cell tropism which is limited by the need for certain RGD-dependent integrin receptors. In contrast, cell culture-adapted viruses use heparan sulfate (HS) or other unidentified molecules as receptors to initiate infection. Here, we report several novel findings resulting from cell culture adaptation of FMDV. In cell culture, a virus with the capsid of the A/Turkey/2/2006 field isolate gained the ability to infect CHO and HS-deficient CHO cells as a result of a single glutamine (Q)-to-lysine (K) substitution at VP1-110 (VP1-(Q)110(K)). Using site-directed mutagenesis, the introduction of lysine at this same site also resulted in an acquired ability to infect CHO cells by type O and Asia-1 FMDV. However, this ability appeared to require a second positively charged residue at VP1-109. CHO cells express two RGD-binding integrins (α5β1 and αvβ5) that, although not used by FMDV, have the potential to be used as receptors; however, viruses with the VP1-(Q)110(K) substitution did not use these integrins. In contrast, the VP1-(Q)110(K) substitution appeared to result in enhanced interactions with αvβ6, which allowed a virus with KGE in place of the normal RGD integrin-binding motif to use αvβ6 as a receptor. Thus, our results confirmed the existence of nonintegrin, non-HS receptors for FMDV on CHO cells and revealed a novel, non-RGD-dependent use of αvβ6 as a receptor. The introduction of lysine at VP1-110 may allow for cell culture adaptation of FMDV by design, which may prove useful for vaccine manufacture when cell culture adaptation proves intractable.

  15. Residual risk

    African Journals Online (AJOL)

    ing the residual risk of transmission of HIV by blood transfusion. An epidemiological approach assumed that all HIV infections detected serologically in first-time donors were pre-existing or prevalent infections, and that all infections detected in repeat blood donors were new or incident infections. During 1986 - 1987,0,012%.

  16. Systematic study of kinematic and dynamic moment of inertia of SD bands in A=150 mass region

    International Nuclear Information System (INIS)

    Mittal, H.M.; Sharma, Honey; Sharma, N.

    2015-01-01

    The significance of the proton-neutron interaction in deducing expansion of nuclear structure was stressed earlier by de - Shalit and Goldhaber. Talmi was the first to notice that the proton-neutron (p-n) interaction is responsible for deformed nuclei. Federman and Pittel highlighted the p-n interaction between nucleons in spin-orbit partner orbits; which results in rapid phase transition near A=100. Similar mechanism has been applied to A=150 mass region on the account of Z=64 subshell closure. Casten proposed a simple quantity, N p N n ; which is an estimation for the residual proton-neutron which plays a crucial role in evolution of nuclear deformation. A simple pattern observed whenever the nuclear data relating to nuclear deformation is plotted against N p N n

  17. Residual basins

    International Nuclear Information System (INIS)

    D'Elboux, C.V.; Paiva, I.B.

    1980-01-01

    Exploration for uranium carried out over a major portion of the Rio Grande do Sul Shield has revealed a number of small residual basins developed along glacially eroded channels of pre-Permian age. Mineralization of uranium occurs in two distinct sedimentary units. The lower unit consists of rhythmites overlain by a sequence of black shales, siltstones and coal seams, while the upper one is dominated by sandstones of probable fluvial origin. (Author) [pt

  18. RESIDUAL RISK ASSESSMENTS - RESIDUAL RISK ...

    Science.gov (United States)

    This source category previously subjected to a technology-based standard will be examined to determine if health or ecological risks are significant enough to warrant further regulation for Coke Ovens. These assesments utilize existing models and data bases to examine the multi-media and multi-pollutant impacts of air toxics emissions on human health and the environment. Details on the assessment process and methodologies can be found in EPA's Residual Risk Report to Congress issued in March of 1999 (see web site). To assess the health risks imposed by air toxics emissions from Coke Ovens to determine if control technology standards previously established are adequately protecting public health.

  19. Interactions in recovery and in residual injury from sequential treatments of mouse haemopoietic and stromal marrow cell populations, using X-rays, cyclophosphamide and busulphan

    International Nuclear Information System (INIS)

    Qi, D.Y.; Hendry, J.H.; Testa, N.G.

    1991-01-01

    The acute recovery of day 11 CFU-S, iv-CFC and CFU-F in mouse bone marrow, following a test dose of X-rays, cyclophosphamide (CP) or busulphan given to mice previously treated with repeated priming dose X-rays or CP, was in general predictable from the amount of residual injury after the priming doses. A marked exception was iv-CFC after X-rays, which although amplified to near normal levels during the residual injury phase, recovered after the test irradiation from low-levels of CFU-S. The amount of residual injury after sequential treatments of different agents was in general less than expected on the basis of the product of the effects of the individual agents. This was most marked for CP priming treatments, where the long-term recovery of day 11 CFU-S after the test dose remained persistently above control levels. Also, some correlation was found between improved stromal recovery (CFU-F) and the CFU-S content following the sequential treatment protocols. (author). 33 refs.; 3 figs.; 5 tabs

  20. 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.

  1. A Mutational Analysis of Residues in Cholera Toxin A1 Necessary for Interaction with Its Substrate, the Stimulatory G Protein Gsα

    Directory of Open Access Journals (Sweden)

    Michael G. Jobling

    2015-03-01

    Full Text Available Pathogenesis of cholera diarrhea requires cholera toxin (CT-mediated adenosine diphosphate (ADP-ribosylation of stimulatory G protein (Gsα in enterocytes. CT is an AB5 toxin with an inactive CTA1 domain linked via CTA2 to a pentameric receptor-binding B subunit. Allosterically activated CTA1 fragment in complex with NAD+ and GTP-bound ADP-ribosylation factor 6 (ARF6-GTP differs conformationally from the CTA1 domain in holotoxin. A surface-exposed knob and a short α-helix (formed, respectively, by rearranging “active-site” and “activation” loops in inactive CTA1 and an ADP ribosylating turn-turn (ARTT motif, all located near the CTA1 catalytic site, were evaluated for possible roles in recognizing Gsα. CT variants with one, two or three alanine substitutions at surface-exposed residues within these CTA1 motifs were tested for assembly into holotoxin and ADP-ribosylating activity against Gsα and diethylamino-(benzylidineamino-guanidine (DEABAG, a small substrate predicted to fit into the CTA1 active site. Variants with single alanine substitutions at H55, R67, L71, S78, or D109 had nearly wild-type activity with DEABAG but significantly decreased activity with Gsα, suggesting that the corresponding residues in native CTA1 participate in recognizing Gsα. As several variants with multiple substitutions at these positions retained partial activity against Gsα, other residues in CTA1 likely also participate in recognizing Gsα.

  2. Residual analysis for spatial point processes

    DEFF Research Database (Denmark)

    Baddeley, A.; Turner, R.; Møller, Jesper

    process. Residuals are ascribed to locations in the empty background, as well as to data points of the point pattern. We obtain variance formulae, and study standardised residuals. There is also an analogy between our spatial residuals and the usual residuals for (non-spatial) generalised linear models...... 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....

  3. INTERACT

    DEFF Research Database (Denmark)

    Jochum, Elizabeth; Borggreen, Gunhild; Murphey, TD

    This paper considers the impact of visual art and performance on robotics and human-computer interaction and outlines a research project that combines puppetry and live performance with robotics. Kinesics—communication through movement—is the foundation of many theatre and performance traditions...... including puppetry and dance. However, the aesthetics of these traditions vary across cultures and carry different associative and interpretive meanings. Puppetry offers a useful frame for understanding the relationship between abstract and imitative gestures and behavior, and instantiates the complex...... interaction between a human operator and an artificial actor or agent. We can apply insights from puppetry to develop culturally-aware robots. Here we describe the development of a robotic marionette theatre wherein robotic controllers assume the role of human puppeteers. The system has been built, tested...

  4. Interactions

    DEFF Research Database (Denmark)

    The main theme of this anthology is the unique interaction between mathematics, physics and philosophy during the beginning of the 20th century. Seminal theories of modern physics and new fundamental mathematical structures were discovered or formed in this period. Significant physicists such as ......The main theme of this anthology is the unique interaction between mathematics, physics and philosophy during the beginning of the 20th century. Seminal theories of modern physics and new fundamental mathematical structures were discovered or formed in this period. Significant physicists...... such as Lorentz and Einstein as well as mathematicians such as Poincare, Minkowski, Hilbert and Weyl contributed to this development. They created the new physical theories and the mathematical disciplines that play such paramount roles in their mathematical formulations. These physicists and mathematicians were...... also key figures in the philosophical discussions of nature and science - from philosophical tendencies like logical empiricism via critical rationalism to various neo-Kantian trends....

  5. β{sup -} transitions of {sub 7}{sup 16}N{sub 9} → {sub 8}{sup 16}O{sub 8} with optimized SDI residual interaction using pnTDA and TDA approximations

    Energy Technology Data Exchange (ETDEWEB)

    Pahlavani, M.R.; Firoozi, B. [University of Mazandaran, Department of Nuclear Physics, Faculty of Basic Science, P.O. Box 47415-416, Babolsar (Iran, Islamic Republic of)

    2015-11-15

    Within a developed particle-hole approach, a systematic study of the β{sup -} transition from the ground state of the {sup 16}N nucleus to the ground and some exited states of the {sup 16}O nucleus has been carried out. The energy spectrum and the wave functions of pure configuration of the {sup 16}N and {sup 16}O nuclei are numerically obtained using the mean-field shell model with respect to the Woods-Saxon nuclear potential accompanying spin-orbit and Coulomb interaction. Considering SDI residual interaction, mixed configuration of ground and excited pnTDA and TDA states are extracted for the aforementioned nucleus. These energy spectra and corresponding eigenstates are highly correspondent to the experimental energy spectrum and eigenstates after adjusting the residual potential parameters using the Nelder-Mead (NM) algorithm. In this approach, the endpoint energy, log ft and the partial half-lives of some possible transitions are calculated. The obtained results using the optimized SDI approach are reasonably close to the available experimental data. (orig.)

  6. Persistence of organophosphorus pesticides in aquatic environments. Coordinated programme on isotope-tracer-aided research and monitoring on agricultural residue - biological interactions in aquatic environment

    International Nuclear Information System (INIS)

    Horvath, L.

    1982-08-01

    A radiometric enzymic assay method was developed for quick measuring of organophosphorous insecticides in water samples. All steps of the assay procedure were carried out in scintillation vials. 50 μl enzyme solution (acetylcholinesterase of electric eel) and 50 μl buffer pH 7 were pipetted into the vial followed by 100 μl of water sample or aqueous solution of the insecticide and the mixture was incubated for 60 minutes. 50 μl 3 H-acetylcholine were added to the vial and the enzymic reaction stopped after 10 minutes by adding 200 μl buffer solution pH 2.5. 10 ml scintillation cocktail were then added and after shaking and 30 minutes standing the radioactivity was determined in a liquid scintillation spectrometer. Acetylcholine remained in the water phase while 3 H-acetic acid released in enzymic hydrolysis may be extracted by an organic solvent. By this method, not only the parent compound but also some of its degradation products, which possess some anticholinesteratic activity can be measured. The method is suitable for combination with thin-layer chromatography for identification purposes. Using this method, we studied the degradation of the organophosphorous insecticides malathion, parathion, DDVP and imidan. The degradation in distilled water and natural water was compared. For example, the half-time of malathion in distilled water at room temperature was 6 days while in natural water (Danube river) it was 4 hours. The degradation processes were also studied in model systems containing sediment and water. Degradation was faster in models containing solid particles than in filtered water. The radiometric enzymic method was tested as analytical procedure for residue monitoring. Since 1978 a residue monitoring programme was in progress in the Danube river near Budapest. Occasionally high residue levels were detected in spring and early summer. The radiometric enzymic method has proved to be a useful analytical method for anticholinesterase pesticides in

  7. Spring Chinook Salmon Interactions Indices and Residual/Precocious Male Monitoring in the Upper Yakima Basin; Yakima/Klickitat Fisheries Project Monitoring and Evaluation, 2004-2005 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Pearsons, Todd N.; Johnson, Christopher L. (Washington Department of Fish and Wildlife, Olympia, WA); James, Brenda B. (Cascade Aquatics, Ellensburg, WA)

    2005-05-01

    This report examines some of the factors that can influence the success of supplementation, which is currently being tested in the Yakima Basin using upper Yakima stock of spring chinook salmon. Supplementation success in the Yakima Basin is defined relative to four topic areas: natural production, genetics, ecological interactions, and harvest (Busack et al. 1997). The success of spring chinook salmon supplementation in the Yakima Basin is dependent, in part, upon fish culture practices and favorable physical and biological conditions in the natural environment (Busack et al. 1997; James et al. 1999; Pearsons et al., 2003; Pearsons et al. 2004). Shortfalls in either of these two topics (i.e., failure in culturing many fish that have high long-term fitness or environmental conditions that constrain spring chinook salmon production) will cause supplementation success to be limited. For example, inadvertent selection or propagation of spring chinook that residualize or precocially mature may hinder supplementation success. Spring chinook salmon that residualize (do not migrate during the normal migration period) may have lower survival rates than migrants and, additionally, may interact with wild fish and cause unacceptable impacts to non-target taxa. Large numbers of precocials (nonanadromous spawners) may increase competition for females and significantly skew ratios of offspring sired by nonanadromous males, which could result in more nonanadromous spring chinook in future generations. Conditions in the natural environment may also limit the success of spring chinook supplementation. For example, intra or interspecific competition may constrain spring chinook salmon production. Spring chinook salmon juveniles may compete with each other for food or space or compete with other species that have similar ecological requirements. Monitoring of spring chinook salmon residuals, precocials, prey abundance, carrying capacity, and competition will help researchers

  8. Accounting for Genotype-by-Environment Interactions and Residual Genetic Variation in Genomic Selection for Water-Soluble Carbohydrate Concentration in Wheat.

    Science.gov (United States)

    Ovenden, Ben; Milgate, Andrew; Wade, Len J; Rebetzke, Greg J; Holland, James B

    2018-04-16

    Abiotic stress tolerance traits are often complex and recalcitrant targets for conventional breeding improvement in many crop species. This study evaluated the potential of genomic selection to predict water-soluble carbohydrate concentration (WSCC), an important drought tolerance trait, in wheat under field conditions. A panel of 358 varieties and breeding lines constrained for maturity was evaluated under rainfed and irrigated treatments across two locations and two years. Whole-genome marker profiles and factor analytic mixed models were used to generate genomic estimated breeding values (GEBVs) for specific environments and environment groups. Additive genetic variance was smaller than residual genetic variance for WSCC, such that genotypic values were dominated by residual genetic effects rather than additive breeding values. As a result, GEBVs were not accurate predictors of genotypic values of the extant lines, but GEBVs should be reliable selection criteria to choose parents for intermating to produce new populations. The accuracy of GEBVs for untested lines was sufficient to increase predicted genetic gain from genomic selection per unit time compared to phenotypic selection if the breeding cycle is reduced by half by the use of GEBVs in off-season generations. Further, genomic prediction accuracy depended on having phenotypic data from environments with strong correlations with target production environments to build prediction models. By combining high-density marker genotypes, stress-managed field evaluations, and mixed models that model simultaneously covariances among genotypes and covariances of complex trait performance between pairs of environments, we were able to train models with good accuracy to facilitate genetic gain from genomic selection. Copyright © 2018, G3: Genes, Genomes, Genetics.

  9. INTERACT

    DEFF Research Database (Denmark)

    Jochum, Elizabeth; Borggreen, Gunhild; Murphey, TD

    This paper considers the impact of visual art and performance on robotics and human-computer interaction and outlines a research project that combines puppetry and live performance with robotics. Kinesics—communication through movement—is the foundation of many theatre and performance traditions...... including puppetry and dance. However, the aesthetics of these traditions vary across cultures and carry different associative and interpretive meanings. Puppetry offers a useful frame for understanding the relationship between abstract and imitative gestures and behavior, and instantiates the complex...

  10. A Virtual Reality avatar interaction (VRai) platform to assess residual executive dysfunction in active military personnel with previous mild traumatic brain injury: proof of concept.

    Science.gov (United States)

    Robitaille, Nicolas; Jackson, Philip L; Hébert, Luc J; Mercier, Catherine; Bouyer, Laurent J; Fecteau, Shirley; Richards, Carol L; McFadyen, Bradford J

    2017-10-01

    This proof of concept study tested the ability of a dual task walking protocol using a recently developed avatar-based virtual reality (VR) platform to detect differences between military personnel post mild traumatic brain injury (mTBI) and healthy controls. The VR platform coordinated motion capture, an interaction and rendering system, and a projection system to present first (participant-controlled) and third person avatars within the context of a specific military patrol scene. A divided attention task was also added. A healthy control group was compared to a group with previous mTBI (both groups comprised of six military personnel) and a repeated measures ANOVA tested for differences between conditions and groups based on recognition errors, walking speed and fluidity and obstacle clearance. The VR platform was well tolerated by both groups. Walking fluidity was degraded for the control group within the more complex navigational dual tasking involving avatars, and appeared greatest in the dual tasking with the interacting avatar. This navigational behaviour was not seen in the mTBI group. The present findings show proof of concept for using avatars, particularly more interactive avatars, to expose differences in executive functioning when applying context-specific protocols (here for the military). Implications for rehabilitation Virtual reality provides a means to control context-specific factors for assessment and intervention. Adding human interaction and agency through avatars increases the ecologic nature of the virtual environment. Avatars in the present application of the Virtual Reality avatar interaction platform appear to provide a better ability to reveal differences between trained, military personal with and without mTBI.

  11. Fate and persistence of 14C pesticide residues in different soils: effects of 14C pesticide contaminated run-off soil water on biological systems. Part of a coordinated programme on isotopic-tracer-aided studies of agrochemical residue - soil biota interactions

    International Nuclear Information System (INIS)

    Lichtenstein, E.

    1982-09-01

    The interaction of selected fungicides, herbicides and N-fertilizers with microorganisms in cranberry soils and their effects on the degradation of 14 C-phenyl-parathion were investigated. Incubation of soils with parathion of p-nitrophenol for 4 days, followed by the addition of 14 C-parathion resulted after 24 h in an enhanced degradation of the insecticide to 14 CO 2 (34-39% of the applied radiocarbon as opposed to 2% in controls) and also in an increased binding of 14 C to the soil. The fungicide captafol inhibited the degradation of soil-applied 14 C-parathion as evidenced by a reduction of both 14 CO 2 evolution and 14 C-bound residues. Maneb and benomyl suppressed the degradation of 14 C-parathion to 14 CO 2 but not the formation of bound residues. Addition of 2,4-D to 14 C-parathion treated soil also resulted in an increased persistence of the insecticide. Studies conducted with the insecticide and (NH 4 ) 2 SO 4 , NH 4 NO 3 , KNO 3 or urea showed that under all experimental conditions the total amounts of 14 C recovered were similar, yet the distribution of 14 C-compounds into benzene-soluble, water-soluble and bound residues was not. This possibly indicated a change in the pathway of 14 C-parathion degradation. The insecticide was most persistent in soils containing (NH 4 ) 2 SO 4 , as demonstrated by a recovery of 29% of the applied radiocarbon in benzene-soluble form. Analyses by TIC of this benzene extraction phase revealed the presence of 14 C-parathion, 14 C-p-aminophenol and 14 C-aminoparathion

  12. Enhanced Retention of Chelating Reagents in Octadecylsilyl Silica Phase by Interaction with Residual Silanol Groups in Solid Phase Extraction of Divalent Metal Ions.

    Science.gov (United States)

    Ohmuro, Satoshi; Fujii, Kan; Yasui, Takashi; Takada, Kazutake; Yuchi, Akio; Kokusen, Hisao

    2016-01-01

    Solid-phase extraction (SPE) of divalent metal ions with a lipophilic and potentially divalent hexadentate chelating reagent (H2L), with which octadecylsilyl silica (ODS), was impregnated with was studied to gain more insight into and develop the potential of this methodology. This is the first time to demonstrate that this reagent as well as other common nitrogen-containing reagents were retained both by adsorption due to hydrogen bonding between nitrogen atoms of the reagent and residual silanol groups in the ODS phase and by simple distribution into the hydrophobic space. An appreciably large amount of this reagent could be retained by the adsorption mechanism even with a relatively thin loading solution. The divalent metal ions of Mn(2+), Co(2+) and Zn(2+) were extracted as 1:1 neutral complexes ([ML]), while Ni(2+) and Cu(2+) as ion-pairs of 1:1 cationic complex ([MHL](+)) with anion in SPE with H2L. The extractability and selectivity were substantially the same as that in liquid-liquid extraction.

  13. Spring Chinook Salmon Interactions Indices and Residual/Precocial Monitoring in the Upper Yakima Basin; Yakima/Klickitat Fisheries Project Monitoring and Evaluation Report 5 of 7, 2003-2004 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Pearsons, Todd N.; Johnson, Christopher L.; James, Brenda B. (Washington Department of Fish and Wildlife, Olympia, WA)

    2004-05-01

    This report examines some of the factors that can influence the success of supplementation, which is currently being tested in the Yakima Basin using upper Yakima stock of spring chinook salmon. Supplementation success in the Yakima Basin is defined relative to four topic areas: natural production, genetics, ecological interactions, and harvest (Busack et al. 1997). The success of spring chinook salmon supplementation in the Yakima Basin is dependent, in part, upon fish culture practices and favorable physical and biological conditions in the natural environment (Busack et al. 1997; James et al. 1999; Pearsons et al., 2003). Shortfalls in either of these two topics (i.e., failure in culturing many fish that have high long-term fitness or environmental conditions that constrain spring chinook salmon production) will cause supplementation success to be limited. For example, inadvertent selection or propagation of spring chinook that residualize or precocially mature may hinder supplementation success. Spring chinook salmon that residualize (do not migrate during the normal migration period) may have lower survival rates than migrants and, additionally, may interact with wild fish and cause unacceptable impacts to non-target taxa. Large numbers of precocials (nonanadromous spawners) may increase competition for females and significantly skew ratios of offspring sired by nonanadromous males, which could result in more nonanadromous spring chinook in future generations. Conditions in the natural environment may also limit the success of spring chinook supplementation. For example, intra or interspecific competition may constrain spring chinook salmon production. Spring chinook salmon juveniles may compete with each other for food or space or compete with other species that have similar ecological requirements. Monitoring of spring chinook salmon residuals, precocials, prey abundance, carrying capacity, and competition will help researchers interpret why supplementation

  14. The 3.2 Å resolution structure of a receptor: CheA:CheW signaling complex defines overlapping binding sites and key residue interactions within bacterial chemosensory arrays.

    Science.gov (United States)

    Li, Xiaoxiao; Fleetwood, Aaron D; Bayas, Camille; Bilwes, Alexandrine M; Ortega, Davi R; Falke, Joseph J; Zhulin, Igor B; Crane, Brian R

    2013-06-04

    Bacterial chemosensory arrays are composed of extended networks of chemoreceptors (also known as methyl-accepting chemotaxis proteins, MCPs), the histidine kinase CheA, and the adaptor protein CheW. Models of these arrays have been developed from cryoelectron microscopy, crystal structures of binary and ternary complexes, NMR spectroscopy, mutational, data and biochemical studies. A new 3.2 Å resolution crystal structure of a Thermotoga maritima MCP protein interaction region in complex with the CheA kinase-regulatory module (P4-P5) and adaptor protein CheW provides sufficient detail to define residue contacts at the interfaces formed among the three proteins. As in a previous 4.5 Å resolution structure, CheA-P5 and CheW interact through conserved hydrophobic surfaces at the ends of their β-barrels to form pseudo 6-fold symmetric rings in which the two proteins alternate around the circumference. The interface between P5 subdomain 1 and CheW subdomain 2 was anticipated from previous studies, whereas the related interface between CheW subdomain 1 and P5 subdomain 2 has only been observed in these ring assemblies. The receptor forms an unexpected structure in that the helical hairpin tip of each subunit has "unzipped" into a continuous α-helix; four such helices associate into a bundle, and the tetramers bridge adjacent P5-CheW rings in the lattice through interactions with both P5 and CheW. P5 and CheW each bind a receptor helix with a groove of conserved hydrophobic residues between subdomains 1 and 2. P5 binds the receptor helix N-terminal to the tip region (lower site), whereas CheW binds the same helix with inverted polarity near the bundle end (upper site). Sequence comparisons among different evolutionary classes of chemotaxis proteins show that the binding partners undergo correlated changes at key residue positions that involve the lower site. Such evolutionary analyses argue that both CheW and P5 bind to the receptor tip at overlapping positions

  15. Sulforaphane inhibits pancreatic cancer through disrupting Hsp90-p50(Cdc37) complex and direct interactions with amino acids residues of Hsp90.

    Science.gov (United States)

    Li, Yanyan; Karagöz, G Elif; Seo, Young Ho; Zhang, Tao; Jiang, Yiqun; Yu, Yanke; Duarte, Afonso M S; Schwartz, Steven J; Boelens, Rolf; Carroll, Kate; Rüdiger, Stefan G D; Sun, Duxin

    2012-12-01

    Sulforaphane [1-isothiocyanato-4-(methyl-sulfinyl) butane)], an isothiocyanate derived from cruciferous vegetables, has been shown to possess potent chemopreventive activity. We analyzed the effect of sulforaphane on the proliferation of pancreatic cancer cells. Sulforaphane inhibited pancreatic cancer cell growth in vitro with IC(50)s of around 10-15 μM and induced apoptosis. In pancreatic cancer xenograft mouse model, administration of sulforaphane showed remarkable inhibition of tumor growth without apparent toxicity noticed. We found that sulforaphane induced the degradation of heat shock protein 90 (Hsp90) client proteins and blocked the interaction of Hsp90 with its cochaperone p50(Cdc37) in pancreatic cancer cells. Using nuclear magnetic resonance spectroscopy (NMR) with an isoleucine-specific labeling strategy, we overcame the protein size limit of conventional NMR and studied the interaction of sulforaphane with full-length Hsp90 dimer (170 kDa) in solution. NMR revealed multiple chemical shifts in sheet 2 and the adjacent loop in Hsp90 N-terminal domain after incubation of Hsp90 with sulforaphane. Liquid chromatography coupled to mass spectrometry further mapped a short peptide in this region that was tagged with sulforaphane. These data suggest a new mechanism of sulforaphane that disrupts protein-protein interaction in Hsp90 complex for its chemopreventive activity. Copyright © 2012 Elsevier Inc. All rights reserved.

  16. Sulforaphane inhibits pancreatic cancer through disrupting Hsp90-p50Cdc37 complex and direct interactions with amino acids residues of Hsp90

    Science.gov (United States)

    Li, Yanyan; Karagöz, G. Elif; Seo, Young Ho; Zhang, Tao; Jiang, Yiqun; Yu, Yanke; Duarte, Afonso M.S.; Schwartz, Steven J.; Boelens, Rolf; Carroll, Kate; Rüdiger, Stefan G. D.; Sun, Duxin

    2011-01-01

    Sulforaphane [1-isothiocyanato-4-(methyl-sulfinyl) butane)], an isothiocyanate derived from cruciferous vegetables, has been shown to possess potent chemopreventive activity. We analyzed the effect of sulforaphane on the proliferation of pancreatic cancer cells. Sulforaphane inhibited pancreatic cancer cell growth in vitro with the IC50's around 10-15 μM and induced apoptosis. In pancreatic cancer xenograft mouse model, administration of sulforaphane showed remarkable inhibition of tumor growth without apparent toxicity noticed. We found that sulforaphane induced the degradation of heat shock protein 90 (Hsp90) client proteins and blocked the interaction of Hsp90 with its cochaperone p50Cdc37 in pancreatic cancer cells. Using Nuclear Magnetic Resonance Spectroscopy (NMR) with an isoleucine-specific labeling strategy, we overcame the protein size limit of conventional NMR and studied the interaction of sulforaphane with full-length Hsp90 dimer (170 kDa) in solution. NMR revealed multiple chemical shifts in sheet 2 and the adjacent loop in Hsp90 N-terminal domain after incubation of Hsp90 with sulforaphane. Liquid Chromatography coupled to Mass Spectrometry (LC-MS) further mapped a short peptide in this region that was tagged with sulforaphane. These data suggest a new mechanism of sulforaphane that disrupts protein-protein interaction in Hsp90 complex for its chemopreventive activity. PMID:22444872

  17. Phactr3/scapinin, a member of protein phosphatase 1 and actin regulator (phactr family, interacts with the plasma membrane via basic and hydrophobic residues in the N-terminus.

    Directory of Open Access Journals (Sweden)

    Akihiro Itoh

    Full Text Available Proteins that belong to the protein phosphatase 1 and actin regulator (phactr family are involved in cell motility and morphogenesis. However, the mechanisms that regulate the actin cytoskeleton are poorly understood. We have previously shown that phactr3, also known as scapinin, localizes to the plasma membrane, including lamellipodia and membrane ruffles. In the present study, experiments using deletion and point mutants showed that the basic and hydrophobic residues in the N-terminus play crucial roles in the localization to the plasma membrane. A BH analysis (http://helixweb.nih.gov/bhsearch is a program developed to identify membrane-binding domains that comprise basic and hydrophobic residues in membrane proteins. We applied this program to phactr3. The results of the BH plot analysis agreed with the experimentally determined region that is responsible for the localization of phactr3 to the plasma membrane. In vitro experiments showed that the N-terminal itself binds to liposomes and acidic phospholipids. In addition, we showed that the interaction with the plasma membrane via the N-terminal membrane-binding sequence is required for phactr3-induced morphological changes in Cos7 cells. The membrane-binding sequence in the N-terminus is highly conserved in all members of the phactr family. Our findings may provide a molecular basis for understanding the mechanisms that allow phactr proteins to regulate cell morphogenesis.

  18. 1HN, 13C, and 15N Resonance Assignments of the CDTb-Interacting Domain (CDTaBID) from the Clostridium difficile Binary Toxin Catalytic Component (CDTa, residues 1–221)

    Science.gov (United States)

    Roth, Braden M.; Varney, Kristen M.; Rustandi, Richard R.; Weber, David J.

    2016-01-01

    Once considered a relatively harmless bacterium, Clostridium difficile has become a major concern for healthcare facilities, now the most commonly reported hospital-acquired pathogen. C. difficile infection (CDI) is usually contracted when the normal gut microbiome is compromised by antibiotic therapy, allowing the opportunistic pathogen to grow and produce its toxins. The severity of infection ranges from watery diarrhea and abdominal cramping to pseudomembranous colitis, sepsis, or death. The past decade has seen a marked increase in the frequency and severity of CDI among industrialized nations owing directly to the emergence of a highly virulent C. difficile strain, NAP1. Along with the large Clostridial toxins expressed by non-epidemic strains, C. difficile NAP1 produces a binary toxin, CDT (C. difficile transferase). As the name suggests, CDT is a two-component toxin comprised of an ADP-ribosyltransferase (ART) component (CDTa) and a cell-binding/translocation component (CDTb) that function to destabilize the host cytoskeleton by covalent modification of actin monomers. Central to the mechanism of binary toxin-induced pathogenicity is the formation of CDTa/CDTb complexes at the cell surface. From the perspective of CDTa, this interaction is mediated by the N-terminal domain (residues 1–215) and is spatially and functionally independent of ART activity, which is located in the C-terminal domain (residues 216–420). Here we report the 1HN, 13C, and 15N backbone resonance assignments of a 212 amino acid, ~23 kDa N-terminal CDTb-interacting domain (CDTaBID) construct by heteronuclear NMR spectroscopy. These NMR assignments represent the first component coordination domain for a family of Clostridium or Bacillus species harboring ART activity. Our assignments lay the foundation for detailed solution state characterization of structure-function relationships, toxin complex formation, and NMR-based drug discovery efforts. PMID:27351891

  19. Cosmic Ray Interactions in Shielding Materials

    Energy Technology Data Exchange (ETDEWEB)

    Aguayo Navarrete, Estanislao; Kouzes, Richard T.; Ankney, Austin S.; Orrell, John L.; Berguson, Timothy J.; Troy, Meredith D.

    2011-09-08

    This document provides a detailed study of materials used to shield against the hadronic particles from cosmic ray showers at Earth’s surface. This work was motivated by the need for a shield that minimizes activation of the enriched germanium during transport for the MAJORANA collaboration. The materials suitable for cosmic-ray shield design are materials such as lead and iron that will stop the primary protons, and materials like polyethylene, borated polyethylene, concrete and water that will stop the induced neutrons. The interaction of the different cosmic-ray components at ground level (protons, neutrons, muons) with their wide energy range (from kilo-electron volts to giga-electron volts) is a complex calculation. Monte Carlo calculations have proven to be a suitable tool for the simulation of nucleon transport, including hadron interactions and radioactive isotope production. The industry standard Monte Carlo simulation tool, Geant4, was used for this study. The result of this study is the assertion that activation at Earth’s surface is a result of the neutronic and protonic components of the cosmic-ray shower. The best material to shield against these cosmic-ray components is iron, which has the best combination of primary shielding and minimal secondary neutron production.

  20. QCD Structure of Nuclear Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Granados, Carlos [Florida Intl Univ., Miami, FL (United States)

    2011-05-25

    This dissertation investigated selected processes involving baryons and nuclei in hard scattering reactions. Through these processes, this work explored the constituent structure of baryons and the mechanisms through which the interactions between these constituents ultimately control the selected reactions. First, hard nucleon-nucleon elastic scattering was studied considering the quark exchange (QE) between the nucleons to be the dominant mechanism of interaction in the constituent picture. It was found that an angular asymmetry exhibited by proton-neutron (pn) elastic scattering data is explained within this framework if a quark-diquark picture dominates the nucleon's structure instead of a more traditional SU(6) model. The latter yields an asymmetry around 90 deg center of mass scattering with a sign opposite to what is experimentally observed. The second process is the hard breakup by a photon of a nucleon-nucleon system in light nuclei. Proton-proton (pp) and pn breakup in 3He, and double Δ-isobars production in deuteron breakup were analyzed in the hard rescattering model (HRM), which in conjunction with the QE mechanism provides a QCD description of the reaction. Cross sections for both channels in 3He photodisintegration were computed without the need of a fitting parameter. The results presented here for pp breakup show excellent agreement with recent experimental data. In double Δ-isobars production in deuteron breakup, HRM angular distributions for the two double Δ channels were compared to the pn channel and to each other. An important prediction from this study is that the Δ++ Δ- channel consistently dominates Δ+Δ0, which is in contrast with models that unlike the HRM consider a double Δ system in the initial state of the interaction. For such models both channels should have the same strength.

  1. New results from the NA49 experiment on hadron production in p+p and p+C interactions and survey of backward hadrons in p+C collisions

    CERN Document Server

    Makariev, M

    2013-01-01

    Recent results on proton, anti-proton, neutron and charged kaon production in proton-proton and proton, anti-proton, neutron, deuteron and triton production in proton-carbon collisions at 158 GeV/c beam momentum are presented. Data samples of 4.8 million and 385 734 inelastic events in p+p and p+C, respectively, are obtained with the NA49 detector at the CERN SPS accelerator. The charged particles are identified by energy loss measurement in a system of four TPC chambers, while the neutrons are detected in a forward hadronic calorimeter. The data cover a major fraction of the phase space, ranging from 0 to 1.9 GeV in p_T and in Feynman x variable from -0.8 to 0.95 for protons, from -0.2 to 0.3 for anti-protons, from 0.1 to 0.95 for neutrons and from 0 to 0.5 for kaons. The comparison of the results on proton and neutron production in p+p interactions and deep inelastic e+p collisions at HERA reveals an independence of target fragmentation on the projectile type. Using the charged kaon data in p+p collisions a...

  2. Spin observables in proton-neutron scattering at intermediate energy

    International Nuclear Information System (INIS)

    Spinka, H.

    1986-05-01

    A summary of np elastic scattering spin measurements at intermediate energy is given. Preliminary results from a LAMPF experiment to measure free neutron-proton elastic scattering spin-spin correlation parameters are presented. A longitudinally polarized proton target was used. These measurements are part of a program to determine the neutron-proton amplitudes in a model independent fashion at 500, 650, and 800 MeV. Some new proton-proton total cross sections in pure helicity states (Δσ/sub L/(pp)) near 3 GeV/c are also given. 37 refs., 2 figs

  3. Experimental physics with polarized protons, neutrons and deuterons

    CERN Document Server

    Lehar, František; Wilkin, Colin

    2015-01-01

    The monograph gives a comprehensive overview of the diverse aspects of the experimental study of polarization phenomena in nucleon-nucleon and nucleon-deuteron collisions. The special nature of this volume is that it is based on the original physics results and knowledge gained by one of the authors (F. Lehar), who was a respected researcher in the field for nearly fifty years. The results of these experiments provide valuable information on the spin dependence of the forces acting between nucleons in atomic nuclei, of which all matter is ultimately composed. The fundamental importance of the results means that the subject will remain topical for years to come. The book is designed for teachers and students of natural sciences, espe - cially those with interests in nuclear and particle physics, as well as for ex - perimental physicists who are investigating polarization phenomena using accelerators of charged particles. The writing of the book was initiated by F. Lehar who was the driving force beh...

  4. Exactly solvable models of proton and neutron interacting bosons

    International Nuclear Information System (INIS)

    Lerma, S.H.; Errea, B.; Dukelsky, J.; Pittel, S.; Van Isacker, P.

    2006-01-01

    We describe a class of exactly-solvable models of interacting bosons based on the algebra SO(3, 2). Each copy of the algebra represents a system of neutron and proton bosons in a given bosonic level interacting via a pairing interaction. The model that includes s and d bosons is a specific realization of the IBM2, restricted to the transition regime between vibrational and γ-soft nuclei. By including additional copies of the algebra, we can generate proton-neutron boson models involving other boson degrees of freedom, while still maintaining exact solvability. In each of these models, we can study not only the states of maximal symmetry, but also those of mixed symmetry, albeit still in the vibrational to γ-soft transition regime. Furthermore, in each of these models we can study some features of F-spin symmetry breaking. We report systematic calculations as a function of the pairing strength for models based on s,d, and g bosons and on s,d, and f bosons. The formalism of exactly-solvable models based on the SO(3, 2) algebra is not limited to systems of proton and neutron bosons, however, but can also be applied to other scenarios that involve two species of interacting bosons

  5. 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.)

  6. Model-Independent Analysis of the Neutron-Proton Final-State Interaction Region in the $\\pi\\pi \\to pn\\pi^+$ Reaction

    CERN Document Server

    Uzikov, Yu N

    2001-01-01

    Experimental data on the \\pi\\pi\\to pn\\pi^+ reaction measured in an exclusive two-arm experiment at 800 MeV show a narrow peak arising from the strong proton-neutron final-state interaction. It was claimed, within the framework of a certain model, that this peak contained up to a 25 % spin-singlet final-state contribution. By comparing the data with those of \\pi\\pi\\to d\\pi^+ in a largely model-independent way, it is here demonstrated that at all the angles measured the whole of the peak could be explained as being due to spin-triplet final states, with the spin-singlet being at most a few percent. Good qualitative agreement with the measured proton analysing power is also found within this approach.

  7. Agricultural pesticide residues

    International Nuclear Information System (INIS)

    Fuehr, F.

    1984-01-01

    The utilization of tracer techniques in the study of agricultural pesticide residues is reviewed under the following headings: lysimeter experiments, micro-ecosystems, translocation in soil, degradation of pesticides in soil, biological availability of soil-applied substances, bound residues in the soil, use of macro- and microautography, double and triple labelling, use of tracer labelling in animal experiments. (U.K.)

  8. Saturation of Deformation and Identical Bands in Very-Neutron Rich Sr Isotopes

    CERN Multimedia

    2002-01-01

    The present proposal aims at establishing nuclear properties in an isotopic chain showing unique features. These features include the saturation of ground state deformation at its onset and the existence of ground state identical bands in neighbouring nuclei with the same deformation. The measurements should help to elucidate the role played by the proton-neutron residual interaction between orbitals with large spatial overlap, i.e. $\\pi g _{9/2} \

  9. 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

  10. Simulations of collisions between N-body classical systems in interaction; Simulations de collisions entre systemes classiques a n-corps en interaction

    Energy Technology Data Exchange (ETDEWEB)

    Morisseau, Francois [Laboratoire de Physique Corpusculaire de CAEN, ENSICAEN, Universite de Caen Basse-Normandie, UFR des Sciences, 6 bd Marechal Juin, 14050 Caen Cedex (France)

    2006-05-15

    The Classical N-body Dynamics (CNBD) is dedicated to the simulation of collisions between classical systems. The 2-body interaction used here has the properties of the Van der Waals potential and depends on just a few parameters. This work has two main goals. First, some theoretical approaches assume that the dynamical stage of the collisions plays an important role. Moreover, colliding nuclei are supposed to present a 1. order liquid-gas phase transition. Several signals have been introduced to show this transition. We have searched for two of them: the bimodality of the mass asymmetry and negative heat capacity. We have found them and we give an explanation of their presence in our calculations. Second, we have improved the interaction by adding a Coulomb like potential and by taking into account the stronger proton-neutron interaction in nuclei. Then we have figured out the relations that exist between the parameters of the 2-body interaction and the properties of the systems. These studies allow us to fit the properties of the classical systems to those of the nuclei. In this manuscript the first results of this fit are shown. (author)

  11. [Residual neuromuscular blockade].

    Science.gov (United States)

    Fuchs-Buder, T; Schmartz, D

    2017-06-01

    Even small degrees of residual neuromuscular blockade, i. e. a train-of-four (TOF) ratio >0.6, may lead to clinically relevant consequences for the patient. Especially upper airway integrity and the ability to swallow may still be markedly impaired. Moreover, increasing evidence suggests that residual neuromuscular blockade may affect postoperative outcome of patients. The incidence of these small degrees of residual blockade is relatively high and may persist for more than 90 min after a single intubating dose of an intermediately acting neuromuscular blocking agent, such as rocuronium and atracurium. Both neuromuscular monitoring and pharmacological reversal are key elements for the prevention of postoperative residual blockade.

  12. TENORM: Wastewater Treatment Residuals

    Science.gov (United States)

    Water and wastes which have been discharged into municipal sewers are treated at wastewater treatment plants. These may contain trace amounts of both man-made and naturally occurring radionuclides which can accumulate in the treatment plant and residuals.

  13. Residuation in orthomodular lattices

    Directory of Open Access Journals (Sweden)

    Chajda Ivan

    2017-04-01

    Full Text Available We show that every idempotent weakly divisible residuated lattice satisfying the double negation law can be transformed into an orthomodular lattice. The converse holds if adjointness is replaced by conditional adjointness. Moreover, we show that every positive right residuated lattice satisfying the double negation law and two further simple identities can be converted into an orthomodular lattice. In this case, also the converse statement is true and the corresponence is nearly one-to-one.

  14. 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

  15. Eviromental Economic and Technological Residues Management Demands: An Optimization Tool.

    Directory of Open Access Journals (Sweden)

    Marisa Soares Borges

    2012-12-01

    Full Text Available Industrial residues management is a very demanding task since many different goals must be achieved. The combination of different approaches used by people from different stuff is very challenging activity that can misuse the residues potential value and applicability. An interactive WEB base tool, to integrate different sectors and overcome residues management difficulties will be presented. The system must be loaded with all data concerning the residue life cycle, and through data integration and modeling routine will give the best alternative as output. As wider and complete the system data becomes, by information loading from differen t segment, more efficient the residues management becomes. The user friendly tool will encourage the participation of industries, labs and research institutions to obtain qualified information about industrial residues inventory, raw materials recovery, characteristics, treatment and alternative uses, to achieve residues management sustainability.

  16. 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

  17. Nitrogen mineralization from organic residues: research opportunities.

    Science.gov (United States)

    Cabrera, M L; Kissel, D E; Vigil, M F

    2005-01-01

    Research on nitrogen (N) mineralization from organic residues is important to understand N cycling in soils. Here we review research on factors controlling net N mineralization as well as research on laboratory and field modeling efforts, with the objective of highlighting areas with opportunities for additional research. Among the factors controlling net N mineralization are organic composition of the residue, soil temperature and water content, drying and rewetting events, and soil characteristics. Because C to N ratio of the residue cannot explain all the variability observed in N mineralization among residues, considerable effort has been dedicated to the identification of specific compounds that play critical roles in N mineralization. Spectroscopic techniques are promising tools to further identify these compounds. Many studies have evaluated the effect of temperature and soil water content on N mineralization, but most have concentrated on mineralization from soil organic matter, not from organic residues. Additional work should be conducted with different organic residues, paying particular attention to the interaction between soil temperature and water content. One- and two-pool exponential models have been used to model N mineralization under laboratory conditions, but some drawbacks make it difficult to identify definite pools of mineralizable N. Fixing rate constants has been used as a way to eliminate some of these drawbacks when modeling N mineralization from soil organic matter, and may be useful for modeling N mineralization from organic residues. Additional work with more complex simulation models is needed to simulate both gross N mineralization and immobilization to better estimate net N mineralized from organic residues.

  18. Protein structure based prediction of catalytic residues

    Science.gov (United States)

    2013-01-01

    Background Worldwide structural genomics projects continue to release new protein structures at an unprecedented pace, so far nearly 6000, but only about 60% of these proteins have any sort of functional annotation. Results We explored a range of features that can be used for the prediction of functional residues given a known three-dimensional structure. These features include various centrality measures of nodes in graphs of interacting residues: closeness, betweenness and page-rank centrality. We also analyzed the distance of functional amino acids to the general center of mass (GCM) of the structure, relative solvent accessibility (RSA), and the use of relative entropy as a measure of sequence conservation. From the selected features, neural networks were trained to identify catalytic residues. We found that using distance to the GCM together with amino acid type provide a good discriminant function, when combined independently with sequence conservation. Using an independent test set of 29 annotated protein structures, the method returned 411 of the initial 9262 residues as the most likely to be involved in function. The output 411 residues contain 70 of the annotated 111 catalytic residues. This represents an approximately 14-fold enrichment of catalytic residues on the entire input set (corresponding to a sensitivity of 63% and a precision of 17%), a performance competitive with that of other state-of-the-art methods. Conclusions We found that several of the graph based measures utilize the same underlying feature of protein structures, which can be simply and more effectively captured with the distance to GCM definition. This also has the added the advantage of simplicity and easy implementation. Meanwhile sequence conservation remains by far the most influential feature in identifying functional residues. We also found that due the rapid changes in size and composition of sequence databases, conservation calculations must be recalibrated for specific

  19. 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).

  20. Composition of carbonization residues

    Energy Technology Data Exchange (ETDEWEB)

    Hupfer; Leonhardt

    1943-11-27

    This report compared the composition of samples from Wesseling and Leuna. In each case the sample was a residue from carbonization of the residues from hydrogenation of the brown coal processed at the plant. The composition was given in terms of volatile components, fixed carbon, ash, water, carbon, hydrogen, oxygen, nitrogen, volatile sulfur, and total sulfur. The result of carbonization was given in terms of (ash and) coke, tar, water, gas and losses, and bitumen. The composition of the ash was given in terms of silicon dioxide, ferric oxide, aluminum oxide, calcium oxide, magnesium oxide, potassium and sodium oxides, sulfur trioxide, phosphorus pentoxide, chlorine, and titanium oxide. The most important difference between the properties of the two samples was that the residue from Wesseling only contained 4% oil, whereas that from Leuna had about 26% oil. Taking into account the total amount of residue processed yearly, the report noted that better carbonization at Leuna could save 20,000 metric tons/year of oil. Some other comparisons of data included about 33% volatiles at Leuna vs. about 22% at Wesseling, about 5 1/2% sulfur at Leuna vs. about 6 1/2% at Leuna, but about 57% ash for both. Composition of the ash differed quite a bit between the two. 1 table.

  1. Designing with residual materials

    NARCIS (Netherlands)

    Walhout, W.; Wever, R.; Blom, E.; Addink-Dölle, L.; Tempelman, E.

    2013-01-01

    Many entrepreneurial businesses have attempted to create value based on the residual material streams of third parties. Based on ‘waste’ materials they designed products, around which they built their company. Such activities have the potential to yield sustainable products. Many of such companies

  2. Quenching of weak interactions in nucleon matter

    International Nuclear Information System (INIS)

    Cowell, S.; Pandharipande, V.R.

    2003-01-01

    We have calculated the one-body Fermi and Gamow-Teller charge-current and vector and axial-vector neutral-current nuclear matrix elements in nucleon matter at densities of 0.08, 0.16, and 0.24 fm -3 and proton fractions ranging from 0.2 to 0.5. The correlated states for nucleon matter are obtained by operating on Fermi-gas states by a symmetrized product of pair correlation operators determined from variational calculations with the Argonne-v18 and Urbana-IX two- and three-nucleon interactions. The squares of the charge- current matrix elements are found to be quenched by 20-25 % by the short-range correlations in nucleon matter. Most of the quenching is due to spin-isospin correlations induced by the pion exchange interactions which change the isospins and spins of the nucleons. A large part of it can be related to the probability for a spin-up proton quasiparticle to be a bare spin-up/down proton/neutron. Within the interval considered, the charge-current matrix elements do not have significant dependence on the matter density, proton fraction, and magnitudes of nucleon momenta; however, they do depend on momentum transfer. The neutral-current matrix elements have a significant dependence on the proton fraction. We also calculate the matrix elements of the nuclear Hamiltonian in the same correlated basis. These provide relatively mild effective interactions that give the variational energies in the Hartree-Fock approximation. The calculated two-nucleon effective interaction describes the spin-isospin susceptibilities of nuclear and neutron matter fairly accurately. However terms greater than or equal to three-body terms are necessary to reproduce the compressibility. Realistic calculations of weak interaction rates in nucleon matter can presumably be carried out using the effective operators and interactions studied here. All presented results use the simple two-body cluster approximation to calculate the correlated basis matrix elements. This allows for a clear

  3. Residual stresses in material processing

    Science.gov (United States)

    Kozaczek, K. J.; Watkins, T. R.; Hubbard, C. R.; Wang, Xun-Li; Spooner, S.

    Material manufacturing processes often introduce residual stresses into the product. The residual stresses affect the properties of the material and often are detrimental. Therefore, the distribution and magnitude of residual stresses in the final product are usually an important factor in manufacturing process optimization or component life prediction. The present paper briefly discusses the causes of residual stresses. It then addresses the direct, nondestructive methods of residual stress measurement by X ray and neutron diffraction. Examples are presented to demonstrate the importance of residual stress measurement in machining and joining operations.

  4. Dissecting and analyzing key residues in protein-DNA complexes.

    Science.gov (United States)

    Kulandaisamy, A; Srivastava, Ambuj; Nagarajan, R; Gromiha, M Michael

    2018-04-01

    Protein-DNA interactions are involved in various fundamental biological processes such as replication, transcription, DNA repair, and gene regulation. To understand the interaction in protein-DNA complexes, the integrative study of binding and stabilizing residues is important. In the present study, we have identified key residues that play a dual role in both binding and stability from a nonredundant dataset of 319 protein-DNA complexes. We observed that key residues are identified in very less number of complexes (29%) and only about 4% of stabilizing/binding residues are identified as key residues. Specifically, stabilizing residues have higher preference to be key residues than binding residues. These key residues include polar, nonpolar, aliphatic, aromatic, and charged amino acids. Moreover, we have analyzed and discussed the key residues in different protein-DNA complexes, which are classified based on protein structural class, function, DNA strand, and their conformations. Especially, Ser, Thr, Tyr, Arg, and Lys residues are commonly found in most of the subclasses of protein-DNA complexes. Further, we analyzed atomic contacts, which show that polar-nonpolar is more enriched than other types of contacts. In addition, the charged contacts are highly preferred in protein-DNA complexes compared with protein-protein and protein-RNA complexes. Finally, we have discussed the sequence and structural features of key residues such as conservation score, surrounding hydrophobicity, solvent accessibility, secondary structure, and long-range order. This study will be helpful to understand the recognition mechanism and structural and functional aspects of protein-DNA complexes. Copyright © 2017 John Wiley & Sons, Ltd.

  5. SRC Residual fuel oils

    Science.gov (United States)

    Tewari, Krishna C.; Foster, Edward P.

    1985-01-01

    Coal solids (SRC) and distillate oils are combined to afford single-phase blends of residual oils which have utility as fuel oils substitutes. The components are combined on the basis of their respective polarities, that is, on the basis of their heteroatom content, to assure complete solubilization of SRC. The resulting composition is a fuel oil blend which retains its stability and homogeneity over the long term.

  6. Composition of carbonization residues

    Energy Technology Data Exchange (ETDEWEB)

    Hupfer; Leonhardt

    1943-11-30

    This report gave a record of the composition of several samples of residues from carbonization of various hydrogenation residue from processing some type of coal or tar in the Bergius process. These included Silesian bituminous coal processed at 600 atm. with iron catalyst, in one case to produce gasoline and middle oil and in another case to produce heavy oil excess, Scholven coal processed at 250 atm. with tin oxalate and chlorine catalyst, Bruex tar processed in a 10-liter oven using iron catalyst, and a pitch mixture from Welheim processed in a 10-liter over using iron catalyst. The values gathered were compared with a few corresponding values estimated for Boehlen tar and Gelsenberg coal based on several assumptions outlined in the report. The data recorded included percentage of ash in the dry residue and percentage of carbon, hydrogen, oxygen, nitrogen, chlorine, total sulfur, and volatile sulfur. The percentage of ash varied from 21.43% in the case of Bruex tar to 53.15% in the case of one of the Silesian coals. Percentage of carbon varied from 44.0% in the case of Scholven coal to 78.03% in the case of Bruex tar. Percentage of total sulfur varied from 2.28% for Bruex tar to a recorded 5.65% for one of the Silesian coals and an estimated 6% for Boehlen tar. 1 table.

  7. Effective charges, the valence p-n interaction, and the IBM

    Energy Technology Data Exchange (ETDEWEB)

    Casten, R.F. (Brookhaven National Lab., Upton, NY (United States)); Wolf, A. (Brookhaven National Lab., Upton, NY (United States) Israel Atomic Energy Commission, Beersheba (Israel). Nuclear Research Center-Negev)

    1992-01-01

    There are three recent themes in nuclear structure that come together in an interesting and useful way via the concept of effective charges and the framework of the IBM. These three concepts are the importance of dynamical symmetries in describing nuclear structure and the benefits that accrue from their exploitation, secondly, the critical role of the p-n interaction in the onset and development of collectivity in nuclei, and, thirdly, the importance of the valence nucleons in determining structure and its evolution. We will illustrate this by showing that the interpretation of measured B(E2) values in the context of the dynamical symmetries of the IBM leads to new insights into the meaning of effective charges and offers new avenues to understand the role of the proton-neutron (p-n) interaction in modulating the nature of the valence space and the growth of collectivity. In particular, we will show that effective charges in valence models, such as the IBM, can be interpreted in terms of derivatives of the collectivity of the low lying levels, that is, as measures of the rate of change of collectivity as the proton and neutron numbers vary. This paper is based on recent work by the authors.

  8. Effective charges, the valence p-n interaction, and the IBM

    Energy Technology Data Exchange (ETDEWEB)

    Casten, R.F. [Brookhaven National Lab., Upton, NY (United States); Wolf, A. [Brookhaven National Lab., Upton, NY (United States)]|[Israel Atomic Energy Commission, Beersheba (Israel). Nuclear Research Center-Negev

    1992-10-01

    There are three recent themes in nuclear structure that come together in an interesting and useful way via the concept of effective charges and the framework of the IBM. These three concepts are the importance of dynamical symmetries in describing nuclear structure and the benefits that accrue from their exploitation, secondly, the critical role of the p-n interaction in the onset and development of collectivity in nuclei, and, thirdly, the importance of the valence nucleons in determining structure and its evolution. We will illustrate this by showing that the interpretation of measured B(E2) values in the context of the dynamical symmetries of the IBM leads to new insights into the meaning of effective charges and offers new avenues to understand the role of the proton-neutron (p-n) interaction in modulating the nature of the valence space and the growth of collectivity. In particular, we will show that effective charges in valence models, such as the IBM, can be interpreted in terms of derivatives of the collectivity of the low lying levels, that is, as measures of the rate of change of collectivity as the proton and neutron numbers vary. This paper is based on recent work by the authors.

  9. Lignin biochemistry and soil N determine crop residue decomposition and soil priming

    Science.gov (United States)

    Cropping history can affect soil properties, including available N, but little is known about the interactive effects of residue biochemistry, temperature and cropping history on residue decomposition. A laboratory incubation examined the role of residue biochemistry and temperature on the decomposi...

  10. 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.

  11. Sharing Residual Liability

    DEFF Research Database (Denmark)

    Carbonara, Emanuela; Guerra, Alice; Parisi, Francesco

    2016-01-01

    Economic models of tort law evaluate the efficiency of liability rules in terms of care and activity levels. A liability regime is optimal when it creates incentives to maximize the value of risky activities net of accident and precaution costs. The allocation of primary and residual liability...... the virtues and limits of loss-sharing rules in generating optimal (second-best) incentives and allocations of risk. We find that loss sharing may be optimal in the presence of countervailing policy objectives, homogeneous risk avoiders, and subadditive risk, which potentially offers a valuable tool...

  12. Bioenergy from sisal residues

    Energy Technology Data Exchange (ETDEWEB)

    Jungersen, G. [Dansk Teknologisk Inst. (Denmark); Kivaisi, A.; Rubindamayugi, M. [Univ. of Dar es Salaam (Tanzania, United Republic of)

    1998-05-01

    The main objectives of this report are: To analyse the bioenergy potential of the Tanzanian agro-industries, with special emphasis on the Sisal industry, the largest producer of agro-industrial residues in Tanzania; and to upgrade the human capacity and research potential of the Applied Microbiology Unit at the University of Dar es Salaam, in order to ensure a scientific and technological support for future operation and implementation of biogas facilities and anaerobic water treatment systems. The experimental work on sisal residues contains the following issues: Optimal reactor set-up and performance; Pre-treatment methods for treatment of fibre fraction in order to increase the methane yield; Evaluation of the requirement for nutrient addition; Evaluation of the potential for bioethanol production from sisal bulbs. The processing of sisal leaves into dry fibres (decortication) has traditionally been done by the wet processing method, which consumes considerable quantities of water and produces large quantities of waste water. The Tanzania Sisal Authority (TSA) is now developing a dry decortication method, which consumes less water and produces a waste product with 12-15% TS, which is feasible for treatment in CSTR systems (Continously Stirred Tank Reactors). (EG)

  13. Interaction of ultrashort pulses with molecules and solids: Physics ...

    Indian Academy of Sciences (India)

    ... proton, neutron beams etc. while with laser pulses possessing intensities in the range of 1012–1016 W/cm2 the applica- tions envisioned include (a) novel nanostructures in a variety of materials, (b) control of chemical reactions, (c) surgeries using fs pulses, (d) high-power terahertz genera- tion, (e) biomedical imaging, ...

  14. Residue preference mapping of ligand fragments in the Protein Data Bank.

    Science.gov (United States)

    Wang, Lirong; Xie, Zhaojun; Wipf, Peter; Xie, Xiang-Qun

    2011-04-25

    The interaction between small molecules and proteins is one of the major concerns for structure-based drug design because the principles of protein-ligand interactions and molecular recognition are not thoroughly understood. Fortunately, the analysis of protein-ligand complexes in the Protein Data Bank (PDB) enables unprecedented possibilities for new insights. Herein, we applied molecule-fragmentation algorithms to split the ligands extracted from PDB crystal structures into small fragments. Subsequently, we have developed a ligand fragment and residue preference mapping (LigFrag-RPM) algorithm to map the profiles of the interactions between these fragments and the 20 proteinogenic amino acid residues. A total of 4032 fragments were generated from 71 798 PDB ligands by a ring cleavage (RC) algorithm. Among these ligand fragments, 315 unique fragments were characterized with the corresponding fragment-residue interaction profiles by counting residues close to these fragments. The interaction profiles revealed that these fragments have specific preferences for certain types of residues. The applications of these interaction profiles were also explored and evaluated in case studies, showing great potential for the study of protein-ligand interactions and drug design. Our studies demonstrated that the fragment-residue interaction profiles generated from the PDB ligand fragments can be used to detect whether these fragments are in their favorable or unfavorable environments. The algorithm for a ligand fragment and residue preference mapping (LigFrag-RPM) developed here also has the potential to guide lead chemistry modifications as well as binding residues predictions.

  15. Marine Tar Residues: a Review

    OpenAIRE

    Warnock, April M.; Hagen, Scott C.; Passeri, Davina L.

    2015-01-01

    Marine tar residues originate from natural and anthropogenic oil releases into the ocean environment and are formed after liquid petroleum is transformed by weathering, sedimentation, and other processes. Tar balls, tar mats, and tar patties are common examples of marine tar residues and can range in size from millimeters in diameter (tar balls) to several meters in length and width (tar mats). These residues can remain in the ocean environment indefinitely, decomposing or becoming buried in ...

  16. 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.

  17. 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...

  18. Identification of a direct interaction between residue 19 in the helical portion of calcitonin and the amino-terminal domain of the calcitonin receptor from photoaffinity cross-linking and mutational studies

    International Nuclear Information System (INIS)

    Pham, V.; Wade, J.; McDowall, S.G.; Quiza, M.; Sexton, P.M.

    2001-01-01

    Full text: Calcitonins (CTs) are 32 amino acid hormones with both peripheral and central actions mediated via specific cell surface receptors, which belong to the superfamily of class II G-protein coupled receptors. Chimeric receptor and mutational data suggested that the helical portion (residues 8-22) of salmon CT (sCT) is important for high affinity binding to the amino-terminal extracellular domain of the human CT receptor (hCTR). In this study, we have developed photoactive sCT analogues [Arg 11, 18 , Bpa 19 ]sCT and [Arg 11 , 18 , Bpa 19 ]sCT(8-32) that incorporate a photolabile Bpa (p-benzoyl-L-phenylalanine) into position 19 of the helical domain of the ligand and used this to determine a specific receptor fragment proximate to it. These analogues saturably bound to the CTR with high affinity (IC 50 = 3 nM) which was similar to that of the natural sCT and its antagonist (IC 50 = 2 nM and 20 nM, respectively). Upon photolysis, radioiodinated 125 I-[Arg 11, 18 , Bpa 19 ]sCT and 125 I-[Arg 11,18 , Bpa 19 ]sCT(8-32) efficiently and specifically cross-linked to hCTR stably expressed in baby hamster kidney cells (Hollexl cells, ∼ 800,000 receptors per cell), generating a single radiolabeled band of ∼ 72-kDa on SDS/PAGE autoradiography. To identify the 'contact domain' within CTR involved in binding of 125 I-[Arg1 1 , 18 , Bpa 19 ]sCT and 125 I-[Arg 11, 18 , Bpa 19 ]sCT(8-32), the radiolabeled band containing the ligand-receptor conjugate was subjected to chemical and enzymatic cleavage. Cyanogen bromide cleavage of the native receptor yielded a radiolabeled fragment of apparent Mr ∼ 31-kDa that shifted to Mr ∼ 14 kDa after deglycosylation. This receptor domain corresponded to amino acids 59-134 of the hCTR, located at the amino-terminal extracellular region of the receptor. These results provide the first direct demonstration of a contact domain between calcitonin and its receptor, and will contribute towards the modelling of CT-CTR interface. Copyright

  19. 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.

  20. Automatic prediction of catalytic residues by modeling residue structural neighborhood

    Directory of Open Access Journals (Sweden)

    Passerini Andrea

    2010-03-01

    Full Text Available Abstract Background Prediction of catalytic residues is a major step in characterizing the function of enzymes. In its simpler formulation, the problem can be cast into a binary classification task at the residue level, by predicting whether the residue is directly involved in the catalytic process. The task is quite hard also when structural information is available, due to the rather wide range of roles a functional residue can play and to the large imbalance between the number of catalytic and non-catalytic residues. Results We developed an effective representation of structural information by modeling spherical regions around candidate residues, and extracting statistics on the properties of their content such as physico-chemical properties, atomic density, flexibility, presence of water molecules. We trained an SVM classifier combining our features with sequence-based information and previously developed 3D features, and compared its performance with the most recent state-of-the-art approaches on different benchmark datasets. We further analyzed the discriminant power of the information provided by the presence of heterogens in the residue neighborhood. Conclusions Our structure-based method achieves consistent improvements on all tested datasets over both sequence-based and structure-based state-of-the-art approaches. Structural neighborhood information is shown to be responsible for such results, and predicting the presence of nearby heterogens seems to be a promising direction for further improvements.

  1. 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)

  2. Economic Modeling of Residual Generation for the Lingayen Gulf Watershed

    Directory of Open Access Journals (Sweden)

    Douglas McGlone

    2000-12-01

    Full Text Available The Philippines is one of four countries involved in the Southeast Asian core project of LOICZ (Land Ocean Interactions in the Coastal Zone which has among its general goals the determination of how changes in human activities affect the fluxes of materials between land, sea, and atmosphere through the coastal zone. The economic component of the Philippine project addresses the question: “How does a change in economic activity affect coastal waters?” Of particular concern is the introduction of anthropogenically-derived residuals (N, P, C, SS into coastal waters. A regional input-output (IO model for Region 1 of the Philippines has been developed to estimate how projected changes in economic activity may affect residual flows into Lingayen Gulf. A residual coefficient matrix, derived from information obtained with a rapid assessment model (RA of residual generation in the Lingayen Gulf watershed, has been incorporated into the IO model. Such a model allows for analysis of various economic scenarios for the region, with projections of residual generation as the output. The resulting changes in residual flows may then serve as inputs to biogeochemical models of Lingayen Gulf. From this process, the impact of various economic scenarios on the water quality of Lingayen Gulf may be ascertained.This paper discusses and compares the RA and IO models of residual generation for the Lingayen Gulf watershed and provides examples of the scenario analysis process.

  3. 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.

  4. 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.

  5. Residual stress analysis: a review

    International Nuclear Information System (INIS)

    Finlayson, T.R.

    1983-01-01

    The techniques which are or could be employed to measure residual stresses are outlined. They include X-ray and neutron diffraction. Comments are made on the reliability and accuracy to be expected from particular techniques

  6. OECD Maximum Residue Limit Calculator

    Science.gov (United States)

    With the goal of harmonizing the calculation of maximum residue limits (MRLs) across the Organisation for Economic Cooperation and Development, the OECD has developed an MRL Calculator. View the calculator.

  7. Microclimate effects of crop residues on biological processes

    Science.gov (United States)

    Hatfield, J. L.; Prueger, J. H.

    1996-03-01

    plant to maintain transpiration rates at optimal levels during the early vegetative growth period. The biological implications of crop residue on the soil surface can be more positive than negative and increasing our understanding of the physical environment and biological system interactions will lead to improved resource management.

  8. 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.

  9. Finding coevolving amino acid residues using row and column weighting of mutual information and multi-dimensional amino acid representation

    DEFF Research Database (Denmark)

    Oliveira, Rodrigo Gouveia; Pedersen, Anders Gorm

    2007-01-01

    ABSTRACT: BACKGROUND: Some amino acid residues functionally interact with each other. This interaction will result in an evolutionary co-variation between these residues - coevolution. Our goal is to find these coevolving residues. RESULTS: We present six new methods for detecting coevolving...... residues. Among other things, we suggest measures that are variants of Mutual Information, and measures that use a multidimensional representation of each residue in order to capture the physico-chemical similarities between amino acids. We created a benchmarking system, in silico, able to evaluate...

  10. Marine Tar Residues: a Review.

    Science.gov (United States)

    Warnock, April M; Hagen, Scott C; Passeri, Davina L

    Marine tar residues originate from natural and anthropogenic oil releases into the ocean environment and are formed after liquid petroleum is transformed by weathering, sedimentation, and other processes. Tar balls, tar mats, and tar patties are common examples of marine tar residues and can range in size from millimeters in diameter (tar balls) to several meters in length and width (tar mats). These residues can remain in the ocean environment indefinitely, decomposing or becoming buried in the sea floor. However, in many cases, they are transported ashore via currents and waves where they pose a concern to coastal recreation activities, the seafood industry and may have negative effects on wildlife. This review summarizes the current state of knowledge on marine tar residue formation, transport, degradation, and distribution. Methods of detection and removal of marine tar residues and their possible ecological effects are discussed, in addition to topics of marine tar research that warrant further investigation. Emphasis is placed on benthic tar residues, with a focus on the remnants of the Deepwater Horizon oil spill in particular, which are still affecting the northern Gulf of Mexico shores years after the leaking submarine well was capped.

  11. 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.

  12. Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida

    Energy Technology Data Exchange (ETDEWEB)

    Brodkin, Heather R.; Novak, Walter R.P.; Milne, Amy C.; D’Aquino, J. Alejandro; Karabacak, N.M.; Goldberg, Ilana G.; Agar, Jeffrey N.; Payne, Mark S.; Petsko, Gregory A.; Ondrechen, Mary Jo; Ringe, Dagmar (Brandeis); (E.I. DuPont); (NEU)

    2011-09-28

    Active sites may be regarded as layers of residues, whereby the residues that interact directly with substrate also interact with residues in a second shell and these in turn interact with residues in a third shell. These residues in the second and third layers may have distinct roles in maintaining the essential chemical properties of the first-shell catalytic residues, particularly their spatial arrangement relative to the substrate binding pocket, and their electrostatic and dynamic properties. The extent to which these remote residues participate in catalysis and precisely how they affect first-shell residues remains unexplored. To improve our understanding of the roles of second- and third-shell residues in catalysis, we used THEMATICS to identify residues in the second and third shells of the Co-type nitrile hydratase from Pseudomonas putida (ppNHase) that may be important for catalysis. Five of these predicted residues, and three additional, conserved residues that were not predicted, have been conservatively mutated, and their effects have been studied both kinetically and structurally. The eight residues have no direct contact with the active site metal ion or bound substrate. These results demonstrate that three of the predicted second-shell residues ({alpha}-Asp164, {beta}-Glu56, and {beta}-His147) and one predicted third-shell residue ({beta}-His71) have significant effects on the catalytic efficiency of the enzyme. One of the predicted residues ({alpha}-Glu168) and the three residues not predicted ({alpha}-Arg170, {alpha}-Tyr171, and {beta}-Tyr215) do not have any significant effects on the catalytic efficiency of the enzyme.

  13. 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

  14. Liquefaction behaviors of bamboo residues in a glycerol-based solvent using microwave energy

    Science.gov (United States)

    Jiulong Xie; Chung-Yun Hse; Todd F. Shupe; Jinqiu Qi; Hui Pan

    2014-01-01

    Liquefaction of bamboo was performed in glycerol–methanol as co-solvent using microwave energy and was evaluated by characterizing the liquefied residues. High efficiency conversion of bamboo was achieved under mild reaction conditions. Liquefaction temperature and time interacted to affect the liquefaction reaction. Fourier transform infrared analyzes of the residues...

  15. Impact of sugarcane field residue and mill bagasse on seed germination

    Science.gov (United States)

    Research indicates that sugarcane field residue and sugarcane mill bagasse may be allelopathic. Allelopathy is the chemical interaction between plants, which may result in the inhibition of plant growth and development. Previous research in Louisiana indicated that sugarcane field residue may inhibi...

  16. Allelopathic impact of HoCP 96-540 field residue on seed germination

    Science.gov (United States)

    Research indicates that sugarcane field residue and sugarcane mill bagasse may be allelopathic. Allelopathy is the chemical interaction between plants, which may result in the inhibition of plant growth and development. Previous research in Louisiana indicated that sugarcane field residue may inhibi...

  17. Actinide recovery from pyrochemical residues

    International Nuclear Information System (INIS)

    Avens, L.R.; Clifton, D.G.; Vigil, A.R.

    1984-01-01

    A new process for recovery of plutonium and americium from pyrochemical waste has been demonstrated. It is based on chloride solution anion exchange at low acidity, which eliminates corrosive HCl fumes. Developmental experiments of the process flowsheet concentrated on molten salt extraction (MSE) residues and gave >95% plutonium and >90% americium recovery. The recovered plutonium contained 6 = from high chloride-low acid solution. Americium and other metals are washed from the ion exchange column with 1N HNO 3 -4.8M NaCl. The plutonium is recovered, after elution, via hydroxide precipitation, while the americium is recovered via NaHCO 3 precipitation. All filtrates from the process are discardable as low-level contaminated waste. Production-scale experiments are now in progress for MSE residues. Flow sheets for actinide recovery from electrorefining and direct oxide reduction residues are presented and discussed

  18. Actinide recovery from pyrochemical residues

    International Nuclear Information System (INIS)

    Avens, L.R.; Clifton, D.G.; Vigil, A.R.

    1985-05-01

    We demonstrated a new process for recovering plutonium and americium from pyrochemical waste. The method is based on chloride solution anion exchange at low acidity, or acidity that eliminates corrosive HCl fumes. Developmental experiments of the process flow chart concentrated on molten salt extraction (MSE) residues and gave >95% plutonium and >90% americium recovery. The recovered plutonium contained 6 2- from high-chloride low-acid solution. Americium and other metals are washed from the ion exchange column with lN HNO 3 -4.8M NaCl. After elution, plutonium is recovered by hydroxide precipitation, and americium is recovered by NaHCO 3 precipitation. All filtrates from the process can be discardable as low-level contaminated waste. Production-scale experiments are in progress for MSE residues. Flow charts for actinide recovery from electro-refining and direct oxide reduction residues are presented and discussed

  19. 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.

  20. 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...

  1. Carbaryl residues in maize products

    International Nuclear Information System (INIS)

    Zayed, S.M.A.D.; Mansour, S.A.; Mostafa, I.Y.; Hassan, A.

    1976-01-01

    The 14 C-labelled insecticide carbaryl was synthesized from [1- 14 C]-1-naphthol at a specific activity of 3.18mCig -1 . Maize plants were treated with the labelled insecticide under simulated conditions of agricultural practice. Mature plants were harvested and studied for distribution of total residues in untreated grains as popularly roasted and consumed, and in the corn oil and corn germ products. Total residues found under these conditions in the respective products were 0.2, 0.1, 0.45 and 0.16ppm. (author)

  2. Combinatorial construction of toric residues

    OpenAIRE

    Khetan, Amit; Soprounov, Ivan

    2004-01-01

    The toric residue is a map depending on n+1 semi-ample divisors on a complete toric variety of dimension n. It appears in a variety of contexts such as sparse polynomial systems, mirror symmetry, and GKZ hypergeometric functions. In this paper we investigate the problem of finding an explicit element whose toric residue is equal to one. Such an element is shown to exist if and only if the associated polytopes are essential. We reduce the problem to finding a collection of partitions of the la...

  3. Weld Residual Stress in Corner Boxing Joints

    OpenAIRE

    Kazuyoshi, Matsuoka; Tokuharu, Yoshii; Ship Research Institute, Ministry of Transport; Ship Research Institute, Ministry of Transport

    1998-01-01

    Fatigue damage often occurs in corner boxing welded joints because of stress concentration and residual stress. The hot spot stress approach is applicable to stress concentration. However, the number of suitable methods for estimating residual stress in welded joints is limited. The purpose of this paper is to clarify the residual stress in corner boxing joints. The method of estimating residual stresses based on the inherent stress technique is presented. Residual stress measurements are per...

  4. Expanded calculation of weak-interaction-mediated neutrino cooling rates due to 56Ni in stellar matter

    International Nuclear Information System (INIS)

    Nabi, Jameel-Un

    2010-01-01

    An accurate estimate of the neutrino cooling rates is required in order to study the various stages of stellar evolution of massive stars. Neutrino losses from proto-neutron stars play a crucial role in deciding whether these stars would be crushed into black holes or explode as supernovae. Both pure leptonic and weak-interaction processes contribute to the neutrino energy losses in stellar matter. At low temperatures and densities, the characteristics of the early phase of presupernova evolution, cooling through neutrinos produced via the weak interaction, are important. Proton-neutron quasi-particle random phase approximation (pn-QRPA) theory has recently been used with success for the calculation of stellar weak-interaction rates of fp-shell nuclide. The lepton-to-baryon ratio (Y e ) during early phases of stellar evolution of massive stars changes substantially, mainly due to electron captures on 56 Ni. The stellar matter is transparent to the neutrinos produced during the presupernova evolution of massive stars. These neutrinos escape the site and assist the stellar core in maintaining a lower entropy. Here, an expanded calculation of weak-interaction-mediated neutrino and antineutrino cooling rates due to 56 Ni in stellar matter using the pn-QRPA theory is presented. This detailed scale is appropriate for interpolation purposes and is of greater utility for simulation codes. The calculated rates are compared with earlier calculations. During the relevant temperature and density regions of stellar matter the reported rates show few differences compared with the shell model rates and might contribute in fine-tuning of the lepton-to-baryon ratio during the presupernova phases of stellar evolution of massive stars.

  5. Solidification process for sludge residue

    International Nuclear Information System (INIS)

    Pearce, K.L.

    1998-01-01

    This report investigates the solidification process used at 100-N Basin to solidify the N Basin sediment and assesses the N Basin process for application to the K Basin sludge residue material. This report also includes a discussion of a solidification process for stabilizing filters. The solidified matrix must be compatible with the Environmental Remediation Disposal Facility acceptance criteria

  6. Machine Arithmetic in Residual Classes,

    Science.gov (United States)

    1981-04-03

    rsmainder/residue, as this ascape /-nsues from thp determination of system. It can be. zaalizpd ;n the presence of th- arithmetic urit, which wor~s in thz sys...modules Nj. Page 417. Proof. Proof ascaps /ensues directly from the theorem of Gauss. Actually/really, since according to condition (py, qj)-=-. then

  7. Residual stress in polyethylene pipes

    Czech Academy of Sciences Publication Activity Database

    Poduška, Jan; Hutař, Pavel; Kučera, J.; Frank, A.; Sadílek, J.; Pinter, G.; Náhlík, Luboš

    2016-01-01

    Roč. 54, SEP (2016), s. 288-295 ISSN 0142-9418 R&D Projects: GA MŠk LM2015069; GA MŠk(CZ) LQ1601 Institutional support: RVO:68081723 Keywords : polyethylene pipe * residual stress * ring slitting method * lifetime estimation Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 2.464, year: 2016

  8. Managing woodwaste: Yield from residue

    Energy Technology Data Exchange (ETDEWEB)

    Nielson, E. [LNS Services, Inc., North Vancouver, British Columbia (Canada); Rayner, S. [Pacific Waste Energy Inc., Burnaby, British Columbia (Canada)

    1993-12-31

    Historically, the majority of sawmill waste has been burned or buried for the sole purpose of disposal. In most jurisdictions, environmental legislation will prohibit, or render uneconomic, these practices. Many reports have been prepared to describe the forest industry`s residue and its environmental effect; although these help those looking for industry-wide or regional solutions, such as electricity generation, they have limited value for the mill manager, who has the on-hands responsibility for generation and disposal of the waste. If the mill manager can evaluate waste streams and break them down into their usable components, he can find niche market solutions for portions of the plant residue and redirect waste to poor/no-return, rather than disposal-cost, end uses. In the modern mill, residue is collected at the individual machine centre by waste conveyors that combine and mix sawdust, shavings, bark, etc. and send the result to the hog-fuel pile. The mill waste system should be analyzed to determine the measures that can improve the quality of residues and determine the volumes of any particular category before the mixing, mentioned above, occurs. After this analysis, the mill may find a niche market for a portion of its woodwaste.

  9. Leptogenesis and residual CP symmetry

    International Nuclear Information System (INIS)

    Chen, Peng; Ding, Gui-Jun; King, Stephen F.

    2016-01-01

    We discuss flavour dependent leptogenesis in the framework of lepton flavour models based on discrete flavour and CP symmetries applied to the type-I seesaw model. Working in the flavour basis, we analyse the case of two general residual CP symmetries in the neutrino sector, which corresponds to all possible semi-direct models based on a preserved Z 2 in the neutrino sector, together with a CP symmetry, which constrains the PMNS matrix up to a single free parameter which may be fixed by the reactor angle. We systematically study and classify this case for all possible residual CP symmetries, and show that the R-matrix is tightly constrained up to a single free parameter, with only certain forms being consistent with successful leptogenesis, leading to possible connections between leptogenesis and PMNS parameters. The formalism is completely general in the sense that the two residual CP symmetries could result from any high energy discrete flavour theory which respects any CP symmetry. As a simple example, we apply the formalism to a high energy S 4 flavour symmetry with a generalized CP symmetry, broken to two residual CP symmetries in the neutrino sector, recovering familiar results for PMNS predictions, together with new results for flavour dependent leptogenesis.

  10. Solow Residuals Without Capital Stocks

    DEFF Research Database (Denmark)

    Burda, Michael C.; Severgnini, Battista

    2014-01-01

    We use synthetic data generated by a prototypical stochastic growth model to assess the accuracy of the Solow residual (Solow, 1957) as a measure of total factor productivity (TFP) growth when the capital stock in use is measured with error. We propose two alternative measurements based on current...

  11. The hadronic standard model for strong and electroweak interactions

    Energy Technology Data Exchange (ETDEWEB)

    Raczka, R. [Soltan Inst. for Nuclear Studies, Otwock-Swierk (Poland)

    1993-12-31

    We propose a new model for strong and electro-weak interactions. First, we review various QCD predictions for hadron-hadron and lepton-hadron processes. We indicate that the present formulation of strong interactions in the frame work of Quantum Chromodynamics encounters serious conceptual and numerical difficulties in a reliable description of hadron-hadron and lepton-hadron interactions. Next we propose to replace the strong sector of Standard Model based on unobserved quarks and gluons by the strong sector based on the set of the observed baryons and mesons determined by the spontaneously broken SU(6) gauge field theory model. We analyse various properties of this model such as asymptotic freedom, Reggeization of gauge bosons and fundamental fermions, baryon-baryon and meson-baryon high energy scattering, generation of {Lambda}-polarization in inclusive processes and others. Finally we extend this model by electro-weak sector. We demonstrate a remarkable lepton and hadron anomaly cancellation and we analyse a series of important lepton-hadron and hadron-hadron processes such as e{sup +} + e{sup -} {yields} hadrons, e{sup +} + e{sup -} {yields} W{sup +} + W{sup -}, e{sup +} + e{sup -} {yields} p + anti-p, e + p {yields} e + p and p + anti-p {yields} p + anti-p processes. We obtained a series of interesting new predictions in this model especially for processes with polarized particles. We estimated the value of the strong coupling constant {alpha}(M{sub z}) and we predicted the top baryon mass M{sub {Lambda}{sub t}} {approx_equal} 240 GeV. Since in our model the proton, neutron, {Lambda}-particles, vector mesons like {rho}, {omega}, {phi}, J/{psi} ect. and leptons are elementary most of experimentally analysed lepton-hadron and hadron-hadron processes in LEP1, LEP2, LEAR, HERA, HERMES, LHC and SSC experiments may be relatively easily analysed in our model. (author). 252 refs, 65 figs, 1 tab.

  12. Chemical modification of arginine residues in the lactose repressor

    International Nuclear Information System (INIS)

    Whitson, P.A.; Matthews, K.S.

    1987-01-01

    The lactose repressor protein was chemically modified with 2,3-butanedione and phenylglyoxal. Arginine reaction was quantitated by either amino aced analysis or incorporation of 14 C-labeled phenylglyoxal. Inducer binding activity was unaffected by the modification of arginine residues, while both operator and nonspecific DNA binding activities were diminished, although to differing degrees. The correlation of the decrease in DNA binding activities with the modification of ∼ 1-2 equiv of arginine per monomer suggests increased reactivity of a functionally essential residue(s). For both reagents, operator DNA binding activity was protected by the presence of calf thymus DNA, and the extent of reaction with phenylglyoxal was simultaneously diminished. This protection presumably results from steric restriction of reagent access to an arginine(s) that is (are) essential for DNA binding interactions. These experiments suggest that there is (are) an essential reactive arginine(s) critical for repressor binding to DNA

  13. Residual Neuromuscular Blockade in the Critical Care Setting.

    Science.gov (United States)

    Stawicki, Nicole; Gessner, Patty

    2018-01-01

    Residual neuromuscular blockade is a widespread challenge for providers in the acute care setting that, if left unrecognized or untreated, places patients at higher risk for morbidity and mortality. The condition is estimated to occur in 26% to 88% of patients undergoing general anesthesia. The role of the advanced practice nurse in the acute care setting is to facilitate a safe recovery process by identifying early signs of deterioration and supporting the patient until full muscular strength has returned. This article discusses the prevalence of residual neuromuscular blockade and associated complications and patient risk factors. A review is included of the current uses for neuromuscular blockade, pathophysiology of the neuromuscular junction, pharmacologic characteristics of neuromuscular blocking agents (including drug-drug interactions), monitoring modalities, and effectiveness of reversal agents. Treatment recommendations pertinent to residual neuromuscular blockade are outlined. ©2018 American Association of Critical-Care Nurses.

  14. 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)

  15. RECOVERY OF WHEAT RESIDUE NITROGEN 15 AND RESIDUAL ...

    African Journals Online (AJOL)

    Therefore 85 kg ha-1 N as labelled ammonium sulfate (9.764% atomic excess) was applied in a three-split application. Fertiliser N recovery by wheat in the first year was 33.1%. At harvest, 64.8% of fertiliser N was found in the 0 - 80 cm profile as residual fertiliser-derived N; 2.1% of the applied N could not be accounted for ...

  16. Prediction of protein-protein binding site by using core interface residue and support vector machine

    Directory of Open Access Journals (Sweden)

    Sun Zhonghua

    2008-12-01

    Full Text Available Abstract Background The prediction of protein-protein binding site can provide structural annotation to the protein interaction data from proteomics studies. This is very important for the biological application of the protein interaction data that is increasing rapidly. Moreover, methods for predicting protein interaction sites can also provide crucial information for improving the speed and accuracy of protein docking methods. Results In this work, we describe a binding site prediction method by designing a new residue neighbour profile and by selecting only the core-interface residues for SVM training. The residue neighbour profile includes both the sequential and the spatial neighbour residues of an interface residue, which is a more complete description of the physical and chemical characteristics surrounding the interface residue. The concept of core interface is applied in selecting the interface residues for training the SVM models, which is shown to result in better discrimination between the core interface and other residues. The best SVM model trained was tested on a test set of 50 randomly selected proteins. The sensitivity, specificity, and MCC for the prediction of the core interface residues were 60.6%, 53.4%, and 0.243, respectively. Our prediction results on this test set were compared with other three binding site prediction methods and found to perform better. Furthermore, our method was tested on the 101 unbound proteins from the protein-protein interaction benchmark v2.0. The sensitivity, specificity, and MCC of this test were 57.5%, 32.5%, and 0.168, respectively. Conclusion By improving both the descriptions of the interface residues and their surrounding environment and the training strategy, better SVM models were obtained and shown to outperform previous methods. Our tests on the unbound protein structures suggest further improvement is possible.

  17. Review on the Influences of Bagging Treatment on Pesticide Residue in Fruits

    Directory of Open Access Journals (Sweden)

    ZHAO Xiao-yun

    2018-02-01

    Full Text Available At present, bagging technology has been widely applicated in fruit cultivation. Impact of bagging treatment on the pesticide residues have different results. On the basis of existing achievements, this paper systematically analyzed the influence of different bagging treatments on pesticide residues:such as different ways of applying pesticide, pesticide concentration, number of applying pesticide; bagging materials, bagged layer; the type of pesticide(systemic pesticide, nonendoscopic pesticide; different portions of the fruit, crop varieties and so on. The way of applying pesticide had great impact on pesticide residue, pesticide application after bagging could largely reduce the pesticide residue, and pesticide application before bagging could increase pesticide residues; The four factors including pesticide appliacation dosage, the type of pesticides and fruit portion and fruit varieties on the effects of pesticide residues, had interaction each other. The pesticide applying several times, bagging could significantly reduce pesticide residues and control within the security level. Different bagging materials could reduce pesticide residues, but the impact on pesticide residues had no significant difference. More bagging layers caused less pesticide residues.

  18. The Cauchy method of residues

    CERN Document Server

    Mitrinović, Dragoslav S

    1993-01-01

    Volume 1, i. e. the monograph The Cauchy Method of Residues - Theory and Applications published by D. Reidel Publishing Company in 1984 is the only book that covers all known applications of the calculus of residues. They range from the theory of equations, theory of numbers, matrix analysis, evaluation of real definite integrals, summation of finite and infinite series, expansions of functions into infinite series and products, ordinary and partial differential equations, mathematical and theoretical physics, to the calculus of finite differences and difference equations. The appearance of Volume 1 was acknowledged by the mathematical community. Favourable reviews and many private communications encouraged the authors to continue their work, the result being the present book, Volume 2, a sequel to Volume 1. We mention that Volume 1 is a revised, extended and updated translation of the book Cauchyjev raeun ostataka sa primenama published in Serbian by Nau~na knjiga, Belgrade in 1978, whereas the greater part ...

  19. Calcination/dissolution residue treatment

    International Nuclear Information System (INIS)

    Knight, R.C.; Creed, R.F.; Patello, G.K.; Hollenberg, G.W.; Buehler, M.F.; O'Rourke, S.M.; Visnapuu, A.; McLaughlin, D.F.

    1994-09-01

    Currently, high-level wastes are stored underground in steel-lined tanks at the Hanford site. Current plans call for the chemical pretreatment of these wastes before their immobilization in stable glass waste forms. One candidate pretreatment approach, calcination/dissolution, performs an alkaline fusion of the waste and creates a high-level/low-level partition based on the aqueous solubilities of the components of the product calcine. Literature and laboratory studies were conducted with the goal of finding a residue treatment technology that would decrease the quantity of high-level waste glass required following calcination/dissolution waste processing. Four elements, Fe, Ni, Bi, and U, postulated to be present in the high-level residue fraction were identified as being key to the quantity of high-level glass formed. Laboratory tests of the candidate technologies with simulant high-level residues showed reductive roasting followed by carbonyl volatilization to be successful in removing Fe, Ni, and Bi. Subsequent bench-scale tests on residues from calcination/dissolution processing of genuine Hanford Site tank waste showed Fe was separated with radioelement decontamination factors of 70 to 1,000 times with respect to total alpha activity. Thermodynamic analyses of the calcination of five typical Hanford Site tank waste compositions also were performed. The analyses showed sodium hydroxide to be the sole molten component in the waste calcine and emphasized the requirement for waste blending if fluid calcines are to be achieved. Other calcine phases identified in the thermodynamic analysis indicate the significant thermal reconstitution accomplished in calcination

  20. Atomic structure of recombinant thaumatin II reveals flexible conformations in two residues critical for sweetness and three consecutive glycine residues.

    Science.gov (United States)

    Masuda, Tetsuya; Mikami, Bunzo; Tani, Fumito

    2014-11-01

    Thaumatin, an intensely sweet-tasting protein used as a sweetener, elicits a sweet taste at 50 nM. Although two major variants designated thaumatin I and thaumatin II exist in plants, there have been few dedicated thaumatin II structural studies and, to date, data beyond atomic resolution had not been obtained. To identify the detailed structural properties explaining why thaumatin elicits a sweet taste, the structure of recombinant thaumatin II was determined at the resolution of 0.99 Å. Atomic resolution structural analysis with riding hydrogen atoms illustrated the differences in the direction of the side-chains more precisely and the electron density maps of the C-terminal regions were markedly improved. Though it had been suggested that the three consecutive glycine residues (G142-G143-G144) have highly flexible conformations, G143, the central glycine residue was successfully modelled in two conformations for the first time. Furthermore, the side chain r.m.s.d. values for two residues (R67 and R82) critical for sweetness exhibited substantially higher values, suggesting that these residues are highly disordered. These results demonstrated that the flexible conformations in two critical residues favoring their interaction with sweet taste receptors are prominent features of the intensely sweet taste of thaumatin. Copyright © 2014 Elsevier B.V. and Société française de biochimie et biologie Moléculaire (SFBBM). All rights reserved.

  1. Carbon Nanotubes Facilitate Oxidation of Cysteine Residues of Proteins.

    Science.gov (United States)

    Hirano, Atsushi; Kameda, Tomoshi; Wada, Momoyo; Tanaka, Takeshi; Kataura, Hiromichi

    2017-10-19

    The adsorption of proteins onto nanoparticles such as carbon nanotubes (CNTs) governs the early stages of nanoparticle uptake into biological systems. Previous studies regarding these adsorption processes have primarily focused on the physical interactions between proteins and nanoparticles. In this study, using reduced lysozyme and intact human serum albumin in aqueous solutions, we demonstrated that CNTs interact chemically with proteins. The CNTs induce the oxidation of cysteine residues of the proteins, which is accounted for by charge transfer from the sulfhydryl groups of the cysteine residues to the CNTs. The redox reaction simultaneously suppresses the intermolecular association of proteins via disulfide bonds. These results suggest that CNTs can affect the folding and oxidation degree of proteins in biological systems such as blood and cytosol.

  2. Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

    Science.gov (United States)

    Duboué-Dijon, Elise; Mason, Philip E.; Fischer, Henry E.; Jungwirth, Pavel

    2017-05-01

    The imidazole motif is widely encountered in biomolecules, and its biological role, for instance, as a proton relay, is often linked to its ability to form hydrogen bonds with water molecules. The detailed characterization of the hydration pattern of imidazole and of its changes upon protonation is thus of high interest. Here, we combine neutron scattering experiments with force field simulations to provide an unprecedented characterization of the neutral and protonated imidazole solvation at the atomistic level. We show that neutron diffraction data can be used to assess the quality of the imidazole force field in molecular simulations. Simulations using the CHARMM general force field for imidazole are in excellent agreement with the experimental neutron scattering data and we use them to provide an atomic scale interpretation of the neutron scattering patterns. Upon protonation, we clearly identify the signature of the reorganization in the hydration pattern caused by the change from one H-bond donor and one H-bond acceptor group for imidazole to two H-bond donor groups for imidazolium. We also point the limits of the experiment, which are rather insensitive to details of the H-bond geometry at the deprotonated nitrogen of imidazole and further complement the description of the hydration structure with ab initio molecular dynamics simulations.

  3. Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

    Czech Academy of Sciences Publication Activity Database

    Duboué-Dijon, Elise; Mason, Philip E.; Fischer, H. E.; Jungwirth, Pavel

    2017-01-01

    Roč. 146, č. 18 (2017), č. článku 185102. ISSN 0021-9606 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : imidazole protonation * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016

  4. 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.

  5. 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...

  6. Interpretation on Recycling Plastics from Shredder Residue

    Science.gov (United States)

    EPA is considering an interpretation of its regulations that would generally allow for recycling of plastic separated from shredder residue under the conditions described in the Voluntary Procedures for Recycling Plastics from Shredder Residue.

  7. Residual Analysis of Generalized Autoregressive Integrated Moving ...

    African Journals Online (AJOL)

    In this study, analysis of residuals of generalized autoregressive integrated moving average bilinear time series model was considered. The adequacy of this model was based on testing the estimated residuals for whiteness. Jarque-Bera statistic and squared-residual autocorrelations were used to test the estimated ...

  8. 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. ...

  9. 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....

  10. Neutron residual stress measurements in linepipe

    Science.gov (United States)

    Law, Michael; Gnaëpel-Herold, Thomas; Luzin, Vladimir; Bowie, Graham

    2006-11-01

    Residual stresses in gas pipelines are generated by manufacturing and construction processes and may affect the subsequent pipe integrity. In the present work, the residual stresses in eight samples of linepipe were measured by neutron diffraction. Residual stresses changed with some coating processes. This has special implications in understanding and mitigating stress corrosion cracking, a major safety and economic problem in some gas pipelines.

  11. 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

  12. Glycogen is large molecules wherein Glucose residues

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. Glycogen is large molecules wherein Glucose residues. Glycogen is large molecules wherein Glucose residues. linked by α-(1- 4) glycosidic bonds into chains and chains. branch via α-(1- 6) linkage. Branching points are about every fourth residue – allows. glucose ...

  13. Residual flow patterns and morphological changes along a macro- and meso-tidal coastline

    Science.gov (United States)

    Leonardi, Nicoletta; Plater, Andrew James

    2017-11-01

    The hydrodynamic and residual transport patterns arising from oscillating tidal motion have important consequences for the transport of sediments, and for the evolution of the shoreline, especially under macro- and meso-tidal conditions. For many locations there are significant uncertainties about residual currents and sediment transport characteristics, and their possible influence on the morphological evolution of the coastline and on the character of the bed. Herein we use the coastline of SE England as a test case to investigate possible changes in residual currents, and residual transport patterns from neap to spring tide, the reciprocal interaction between residuals and the character of the bed, and the morphological evolution of the coastline at a century timescale. We found that in the long term the morphology of the system evolves toward a dynamic equilibrium configuration characterized by smaller, and spatially constant residual transport patterns. While the spatial distribution of residual currents maintains a similar trend during both neap and spring tide, during spring tide and for large areas residual currents switch between northerly and southerly directions, and their magnitude is doubled. Residual eddies develop in regions characterized by the presence of sand bars due to the interaction of the tide with the varying topography. Residual transport patterns are also computed for various sediment fractions, and based on the hydrodynamics and sediment availability at the bottom. We found that the distribution of sediments on the bed is significantly correlated with the intensity of residuals. Finally, the majority of long-term morphological changes tend to develop or augment sand banks features, with an increase in elevation and steepening of the bank contours.

  14. Natural radioactivity in petroleum residues

    International Nuclear Information System (INIS)

    Gazineu, M.H.P.; Gazineu, M.H.P.; Hazin, C.A.; Hazin, C.A.

    2006-01-01

    The oil extraction and production industry generates several types of solid and liquid wastes. Scales, sludge and water are typical residues that can be found in such facilities and that can be contaminated with Naturally Occurring Radioactive Material (N.O.R.M.). As a result of oil processing, the natural radionuclides can be concentrated in such residues, forming the so called Technologically Enhanced Naturally Occurring Radioactive Material, or T.E.N.O.R.M.. Most of the radionuclides that appear in oil and gas streams belong to the 238 U and 232 Th natural series, besides 40 K. The present work was developed to determine the radionuclide content of scales and sludge generated during oil extraction and production operations. Emphasis was given to the quantification of 226 Ra, 228 Ra and 40 K since these radionuclides,are responsible for most of the external exposure in such facilities. Samples were taken from the P.E.T.R.O.B.R.A.S. unity in the State of Sergipe, in Northeastern Brazil. They were collected directly from the inner surface of water pipes and storage tanks, or from barrels stored in the waste storage area of the E and P unit. The activity concentrations for 226 Ra, 228 Ra and 40 K were determined by using an HP Ge gamma spectrometric system. The results showed concentrations ranging from 42.7 to 2,110.0 kBq/kg for 226 Ra, 40.5 to 1,550.0 kBq/kg for 228 Ra, and 20.6 to 186.6 kBq/kg for 40 K. The results highlight the importance of determining the activity concentration of those radionuclides in oil residues before deciding whether they should be stored or discarded to the environment. (authors)

  15. Natural radioactivity in petroleum residues

    Energy Technology Data Exchange (ETDEWEB)

    Gazineu, M.H.P. [UNICAP, Dept. de Quimica, Recife (Brazil); Gazineu, M.H.P.; Hazin, C.A. [UFPE, Dept. de Energia Nuclear, Recife (Brazil); Hazin, C.A. [Centro Regional de Ciencias Nucleares/ CNEN, Recife (Brazil)

    2006-07-01

    The oil extraction and production industry generates several types of solid and liquid wastes. Scales, sludge and water are typical residues that can be found in such facilities and that can be contaminated with Naturally Occurring Radioactive Material (N.O.R.M.). As a result of oil processing, the natural radionuclides can be concentrated in such residues, forming the so called Technologically Enhanced Naturally Occurring Radioactive Material, or T.E.N.O.R.M.. Most of the radionuclides that appear in oil and gas streams belong to the {sup 238}U and {sup 232}Th natural series, besides 40 K. The present work was developed to determine the radionuclide content of scales and sludge generated during oil extraction and production operations. Emphasis was given to the quantification of {sup 226}Ra, {sup 228}Ra and 40 K since these radionuclides,are responsible for most of the external exposure in such facilities. Samples were taken from the P.E.T.R.O.B.R.A.S. unity in the State of Sergipe, in Northeastern Brazil. They were collected directly from the inner surface of water pipes and storage tanks, or from barrels stored in the waste storage area of the E and P unit. The activity concentrations for {sup 226}Ra, {sup 228}Ra and 40 K were determined by using an HP Ge gamma spectrometric system. The results showed concentrations ranging from 42.7 to 2,110.0 kBq/kg for {sup 226}Ra, 40.5 to 1,550.0 kBq/kg for {sup 228}Ra, and 20.6 to 186.6 kBq/kg for 40 K. The results highlight the importance of determining the activity concentration of those radionuclides in oil residues before deciding whether they should be stored or discarded to the environment. (authors)

  16. Residual Liquefaction under Standing Waves

    DEFF Research Database (Denmark)

    Kirca, V.S. Ozgur; Sumer, B. Mutlu; Fredsøe, Jørgen

    2012-01-01

    This paper summarizes the results of an experimental study which deals with the residual liquefaction of seabed under standing waves. It is shown that the seabed liquefaction under standing waves, although qualitatively similar, exhibits features different from that caused by progressive waves....... The experimental results show that the buildup of pore-water pressure and the resulting liquefaction first starts at the nodal section and spreads towards the antinodal section. The number of waves to cause liquefaction at the nodal section appears to be equal to that experienced in progressive waves for the same...

  17. Process to recycle shredder residue

    Science.gov (United States)

    Jody, Bassam J.; Daniels, Edward J.; Bonsignore, Patrick V.

    2001-01-01

    A system and process for recycling shredder residue, in which separating any polyurethane foam materials are first separated. Then separate a fines fraction of less than about 1/4 inch leaving a plastics-rich fraction. Thereafter, the plastics rich fraction is sequentially contacted with a series of solvents beginning with one or more of hexane or an alcohol to remove automotive fluids; acetone to remove ABS; one or more of EDC, THF or a ketone having a boiling point of not greater than about 125.degree. C. to remove PVC; and one or more of xylene or toluene to remove polypropylene and polyethylene. The solvents are recovered and recycled.

  18. Residual replacement strategies for Krylov subspace iterative methods for the convergence of true residuals

    NARCIS (Netherlands)

    Vorst, H.A. van der; Ye, Q.

    1999-01-01

    In this paper, a strategy is proposed for alternative computations of the residual vectors in Krylov subspace methods, which improves the agreement of the computed residuals and the true residuals to the level of O(u)kAkkxk. Building on earlier ideas on residual replacement and on insights in

  19. Residual stress measurements of welded stainless steel 304 plate using the HANARO residual stress instrument

    International Nuclear Information System (INIS)

    Mun, M. K.; Lee, C. H.; Em, V. T.

    2001-01-01

    In order to nondestructively measure in-depth residual stress distribution of the metallic materials, it is unique method to use neutron diffraction. In this paper the principles of residual stress measurements by neutron diffraction is described. The residual stress distribution of welded strainless steeel 304 plate using te HANARO residual stress instrument is also described

  20. 40 CFR 721.4500 - Isopropylamine distillation residues and ethylamine distillation residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Isopropylamine distillation residues and ethylamine distillation residues. 721.4500 Section 721.4500 Protection of Environment... residues and ethylamine distillation residues. (a) Chemical substances and significant new use subject to...

  1. Cycling of grain legume residue nitrogen

    DEFF Research Database (Denmark)

    Jensen, E.S.

    1995-01-01

    weeks of decomposition, due to high rates of residue N net mineralization and subsequent leaching and denitrification losses of N. Lysimeter experiments showed that pea residues may reduce leaching losses of N, probably due to their effect on the mineralization-immobilizalion turnover of N...... and denitrification. Winter barley succeeding field pea recovered 13% of the incorporated pea residue N by early December; the recovery was found to be 15% at maturity in July. A spring-sown crop of barley recovered less than half the amount of pea residue N recovered by winter barley. The residue N-use efficiencies...

  2. Cultivating objects in interaction

    DEFF Research Database (Denmark)

    Hazel, Spencer

    2014-01-01

    This paper demonstrates how an initial indexing of objects through gesture and talk provides a residual basis for later indexical development across a stretch of discourse. I show how participants are able to perform an initial mobilization of affordances (Hutchby, 2001) of objects in the immediate...... the interactional resources which mundane everyday objects provide interactants in the multimodal design of their turns-at-talk. Although the objects which feature in the data – for example notepads, tables, computer monitors – have practical functions within the social ecology of these institutional settings...

  3. Optimization of machining and vibration parameters for residual stresses minimization in ultrasonic assisted turning of 4340 hardened steel.

    Science.gov (United States)

    Sharma, Varun; Pandey, Pulak M

    2016-08-01

    The residual stresses generated in the machined work piece have detrimental effect on fatigue life, corrosion resistance and tribological properties. However, the effect of cutting and vibration parameters on residual stresses in Ultrasonic Assisted Turning (UAT) has not been dealt with. The present paper highlights the effect of feed rate, depth of cut, cutting velocity and percentage intensity of ultrasonic power on residual stress generation. XRD analysis has been carried out to measure the residual stress while turning 4340 hardened steel using UAT. The experiments were performed based on response surface methodology to develop statistical model for residual stress. The outcome of ANOVA revealed that percentage intensity and feed rate significantly affect the residual stress generation. The significant interactions between process parameters have also been presented tin order to understand the thermo-mechanical mechanism responsible for residual stress generation. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. Monitoring antibiotic residues in honey

    Directory of Open Access Journals (Sweden)

    Monica Cristina Cara,

    2011-12-01

    Full Text Available Next to the beta-lactam antibiotics in veterinary medicine, streptomycin is one of the mostly used antibiotics. High concentration of streptomycin could lead to ototoxic and nephrotoxic effects. Low concentration – as found in food – may cause allergies, destroy the intestinal flora and favor immunity to some pathogenic microorganisms. In 1948 chlortetracycline was isolated by Duggan as a metabolite and this was the first antibiotic substance of the group of tetracyclines. In the present paper there are presented the monitoring of the antibiotic residues in honey from Timis County. The residues of tetracycline and streptomycin in honey were determined by the method ELISA – a quantitative method of detection. The microtitre wells are coated with tetracycline and anti-streptomycin antibodies. Free antibiotic and immobilized antibiotic compete with the added antibiotic antibody (competitive immunoassay reaction. Any unbound antibody is then removed in a washing step. Bound conjugate enzymes convert the colorless chromogen into a blue product. The addition ofthe stop reagent leads to a color change from blue to yellow. The measurement is made photometrically at 450 nm. The absorption is inversely proportional to the antibiotic concentration in the sample.

  5. Residual Stresses In 3013 Containers

    International Nuclear Information System (INIS)

    Mickalonis, J.; Dunn, K.

    2009-01-01

    The DOE Complex is packaging plutonium-bearing materials for storage and eventual disposition or disposal. The materials are handled according to the DOE-STD-3013 which outlines general requirements for stabilization, packaging and long-term storage. The storage vessels for the plutonium-bearing materials are termed 3013 containers. Stress corrosion cracking has been identified as a potential container degradation mode and this work determined that the residual stresses in the containers are sufficient to support such cracking. Sections of the 3013 outer, inner, and convenience containers, in both the as-fabricated condition and the closure welded condition, were evaluated per ASTM standard G-36. The standard requires exposure to a boiling magnesium chloride solution, which is an aggressive testing solution. Tests in a less aggressive 40% calcium chloride solution were also conducted. These tests were used to reveal the relative stress corrosion cracking susceptibility of the as fabricated 3013 containers. Significant cracking was observed in all containers in areas near welds and transitions in the container diameter. Stress corrosion cracks developed in both the lid and the body of gas tungsten arc welded and laser closure welded containers. The development of stress corrosion cracks in the as-fabricated and in the closure welded container samples demonstrates that the residual stresses in the 3013 containers are sufficient to support stress corrosion cracking if the environmental conditions inside the containers do not preclude the cracking process.

  6. Residual Fragments after Percutaneous Nephrolithotomy

    Directory of Open Access Journals (Sweden)

    Kaan Özdedeli

    2012-09-01

    Full Text Available Clinically insignificant residual fragments (CIRFs are described as asymptomatic, noninfectious and nonobstructive stone fragments (≤4 mm remaining in the urinary system after the last session of any intervention (ESWL, URS or PCNL for urinary stones. Their insignificance is questionable since CIRFs could eventually become significant, as their presence may result in recurrent stone growth and they may cause pain and infection due to urinary obstruction. They may become the source of persistent infections and a significant portion of the patients will have a stone-related event, requiring auxilliary interventions. CT seems to be the ultimate choice of assessment. Although there is no concensus about the timing, recent data suggests that it may be performed one month after the procedure. However, imaging can be done in the immediate postoperative period, if there are no tubes blurring the assessment. There is some evidence indicating that selective medical therapy may have an impact on decreasing stone formation rates. Retrograde intrarenal surgery, with its minimally invasive nature, seems to be the best way to deal with residual fragments.

  7. Characterization and electrolytic cleaning of poly(methyl methacrylate) residues on transferred chemical vapor deposited graphene.

    Science.gov (United States)

    Sun, Jianbo; Finklea, Harry O; Liu, Yuxin

    2017-03-24

    Poly(methyl methacrylate) (PMMA) residue has long been a critical challenge for practical applications of the transferred chemical vapor deposited (CVD) graphene. Thermal annealing is empirically used for the removal of the PMMA residue; however experiments imply that there are still small amounts of residues left after thermal annealing which are hard to remove with conventional methods. In this paper, the thermal degradation of the PMMA residue upon annealing was studied by Raman spectroscopy. The study reveals that post-annealing residues are generated by the elimination of methoxycarbonyl side chains in PMMA and are believed to be absorbed on graphene via the π-π interaction between the conjugated unsaturated carbon segments and graphene. The post-annealing residues are difficult to remove by further annealing in a non-oxidative atmosphere due to their thermal and chemical stability. An electrolytic cleaning method was shown to be effective in removing these post-annealing residues while preserving the underlying graphene lattice based on Raman spectroscopy and atomic force microscopy studies. Additionally, a solution-gated field effect transistor was used to study the transport properties of the transferred CVD graphene before thermal annealing, after thermal annealing, and after electrolytic cleaning, respectively. The results show that the carrier mobility was significantly improved, and that the p-doping was reduced by removing PMMA residues and post-annealing residues. These studies provide a more in-depth understanding on the thermal annealing process for the removal of the PMMA residues from transferred CVD graphene and a new approach to remove the post-annealing residues, resulting in a residue-free graphene.

  8. 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.

  9. Positive selection moments identify potential functional residues in human olfactory receptors

    Science.gov (United States)

    Singer, M. S.; Weisinger-Lewin, Y.; Lancet, D.; Shepherd, G. M.

    1996-01-01

    Correlated mutation analysis and molecular models of olfactory receptors have provided evidence that residues in the transmembrane domains form a binding pocket for odor ligands. As an independent test of these results, we have calculated positive selection moments for the alpha-helical sixth transmembrane domain (TM6) of human olfactory receptors. The moments can be used to identify residues that have been preferentially affected by positive selection and are thus likely to interact with odor ligands. The results suggest that residue 622, which is commonly a serine or threonine, could form critical H-bonds. In some receptors a dual-serine subsite, formed by residues 622 and 625, could bind hydroxyl determinants on odor ligands. The potential importance of these residues is further supported by site-directed mutagenesis in the beta-adrenergic receptor. The findings should be of practical value for future physiological studies, binding assays, and site-directed mutagenesis.

  10. Anion induced conformational preference of Cα NN motif residues in functional proteins.

    Science.gov (United States)

    Patra, Piya; Ghosh, Mahua; Banerjee, Raja; Chakrabarti, Jaydeb

    2017-12-01

    Among different ligand binding motifs, anion binding C α NN motif consisting of peptide backbone atoms of three consecutive residues are observed to be important for recognition of free anions, like sulphate or biphosphate and participate in different key functions. Here we study the interaction of sulphate and biphosphate with C α NN motif present in different proteins. Instead of total protein, a peptide fragment has been studied keeping C α NN motif flanked in between other residues. We use classical force field based molecular dynamics simulations to understand the stability of this motif. Our data indicate fluctuations in conformational preferences of the motif residues in absence of the anion. The anion gives stability to one of these conformations. However, the anion induced conformational preferences are highly sequence dependent and specific to the type of anion. In particular, the polar residues are more favourable compared to the other residues for recognising the anion. © 2017 Wiley Periodicals, Inc.

  11. Interwell tracer testing for residual oil saturation measurement

    International Nuclear Information System (INIS)

    Tang, Joseph

    2004-01-01

    This research focuses mainly on the interpretation of partitioning tracer data for residual oil saturation measurement. As a secondary objective, depending on the progress of the project, it may also look into some commonly encountered phenomena related to tracer interaction with rock matrix such as adsorption and mass transfer into secondary pores. With advancement of interpretation techniques, interwell partitioning tracer tests have become popular in the industry for determining residual oil saturation to water flood or gas flood. With reported successes both in petroleum and environmental industry, it has gained wide recognition as a reliable method for measuring residual oil saturation, along with other standard techniques such as single well tracer testing, sponge coring and log-inject-log. Several levels of interpretation, depending on the degree of sophistication, are available to interpret the tracer data for residual oil saturation determination. These methods range from the simplest analytical methods namely chromatographic transformation and moment analysis to the most intricate finite difference or streamline simulation, with the semi-quantitative Brigham's Model being in between. The residual oil saturations measured by these methods are not necessarily identical. There arises a legitimate question as to what the residual oil saturation values from different methods mean. Brigham's Model has the advantage that it is semi-analytical and requires minimal effort to match the tracer data. Brigham's five spot model will be extended to model the propagation of partitioning tracer for residual oil saturation measurement. The limitation of using the model for irregular pattern will also be addressed. We will also try to construct a 7 spot, 9 spot and line drive based on Brigham's correlation. This model will also be used to study the effect of different Sor in different layers on chromatographic and moment analysis method. Other retention mechanisms such as

  12. Wetting of nonconserved residue-backbones: A feature indicative of aggregation associated regions of proteins.

    Science.gov (United States)

    Pradhan, Mohan R; Pal, Arumay; Hu, Zhongqiao; Kannan, Srinivasaraghavan; Chee Keong, Kwoh; Lane, David P; Verma, Chandra S

    2016-02-01

    Aggregation is an irreversible form of protein complexation and often toxic to cells. The process entails partial or major unfolding that is largely driven by hydration. We model the role of hydration in aggregation using "Dehydrons." "Dehydrons" are unsatisfied backbone hydrogen bonds in proteins that seek shielding from water molecules by associating with ligands or proteins. We find that the residues at aggregation interfaces have hydrated backbones, and in contrast to other forms of protein-protein interactions, are under less evolutionary pressure to be conserved. Combining evolutionary conservation of residues and extent of backbone hydration allows us to distinguish regions on proteins associated with aggregation (non-conserved dehydron-residues) from other interaction interfaces (conserved dehydron-residues). This novel feature can complement the existing strategies used to investigate protein aggregation/complexation. © 2015 Wiley Periodicals, Inc.

  13. Residue energy and mobility in sequence to global structure and dynamics of a HIV-1 protease (1DIFA) by a coarse-grained Monte Carlo simulation

    Science.gov (United States)

    Pandey, R. B.; Farmer, B. L.

    2009-01-01

    Energy, mobility, and structural profiles of residues in a specific sequence of human immunodeficiency virus (HIV)-1 protease chain and its global conformation and dynamics are studied by a coarse-grained computer simulation model on a cubic lattice. HIV-1 protease is described by a chain of 99 residues (nodes) in a specific sequence (1DIFA) with N- and C-terminals on the lattice, where empty lattice sites represent an effective solvent medium. Internal structures of the residues are ignored but their specificities are captured via an interaction (ɛij) matrix (residue-residue, residue-solvent) of the coefficient (fɛij) of the Lennard-Jones potential. Simulations are performed for a range of interaction strength (f ) with the solvent-residue interaction describing the quality of the solvent. Snapshots of the protein show considerable changes in the conformation of the protein on varying the interaction. From the mobility and energy profiles of the residues, it is possible to identify the active (and not so active) segments of the protein and consequently their role in proteolysis. Contrary to interaction thermodynamics, the hydrophobic residues possess higher configurational energy and lower mobility while the electrostatic and polar residues are more mobile despite their lower interaction energy. Segments of hydrophobic core residues, crucial for the structural evolution of the protein are identified—some of which are consistent with recent molecular dynamics simulation in context to possible clinical observations. Global energy and radius of gyration of the protein exhibit nonmonotonic dependence on the interaction strength (f) with opposite trends, e.g., rapid transition into globular structure with higher energy. Variations of the rms displacement of the protein and that of a tracer residue, Gly49, with the time steps show how they slow down on increasing the interaction strength.

  14. MORTAR WITH UNSERVICEABLE TIRE RESIDUES

    Directory of Open Access Journals (Sweden)

    J. A. Canova

    2009-01-01

    Full Text Available This study analyzes the effects of unserviceable tire residues on rendering mortar using lime and washed sand at a volumetric proportion of 1:6. The ripened composite was dried in an oven and combined with both cement at a volumetric proportion of 1:1.5:9 and rubber powder in proportional aggregate volumes of 6, 8, 10, and 12%. Water exudation was evaluated in the plastic state. Water absorption by capillarity, fresh shrinkage and mass loss, restrained shrinkage and mass loss, void content, flexural strength, and deformation energy under compression were evaluated in the hardened state. There was an improvement in the water exudation and water absorption by capillarity and drying shrinkage, as well as a reduction of the void content and flexural strength. The product studied significantly aided the water exudation from mortar and, capillary elevation in rendering.

  15. MORTAR WITH UNSERVICEABLE TIRE RESIDUES

    Directory of Open Access Journals (Sweden)

    José Aparecido Canova

    2009-12-01

    Full Text Available This study analyzes the effects of unserviceable tire residues on rendering mortar using lime and washed sand at a volumetric proportion of 1:6. The ripened composite was dried in an oven and combined with both cement at a volumetric proportion of 1:1.5:9 and rubber powder in proportional aggregate volumes of 6, 8, 10, and 12%. Water exudation was evaluated in the plastic state. Water absorption by capillarity, fresh shrinkage and mass loss, restrained shrinkage and mass loss, void content, flexural strength, and deformation energy under compression were evaluated in the hardened state. There was an improvement in the water exudation and water absorption by capillarity and drying shrinkage, as well as a reduction of the void content and flexural strength. The product studied significantly aided the water exudation from mortar and, capillary elevation in rendering.

  16. Landfill Mining of Shredder Residues

    DEFF Research Database (Denmark)

    Hansen, Jette Bjerre; Hyks, Jiri; Shabeer Ahmed, Nassera

    In Denmark, shredder residues (SR) are classified as hazardous waste and until January 2012 the all SR were landfilled. It is estimated that more than 1.8 million tons of SR have been landfilled in mono cells. This paper describes investigations conducted at two Danish landfills. SR were excavated...... from the landfills and size fractionated in order to recover potential resources such as metal and energy and to reduce the amounts of SR left for re-landfilling. Based on the results it is estimated that 60-70% of the SR excavated could be recovered in terms of materials or energy. Only a fraction...... with particle size less than 5 mm needs to be re-landfilled at least until suitable techniques are available for recovery of materials with small particle sizes....

  17. Forest residues in cattle feed

    Directory of Open Access Journals (Sweden)

    João Elzeário Castelo Branco Iapichini

    2012-12-01

    Full Text Available The ruminants are capable of converting low-quality food, when they are complementes with high-energy source. Through the use of regional agricultural residues is possible to conduct more economical production systems, since energetic foods have high cost in animal production. There is very abundant availability of residues in agroforestry activities worldwide, so that if a small fraction of them were used with appropriate technical criteria they could largely meet the needs of existing herds in the world and thus meet the demands of consumption of protein of animal origin. The Southwest Region of São Paulo State has large area occupied by reforestation and wide availability of non-timber forest residues, which may represent more concentrated energetic food for ruminant production. This experiment aimed to evaluate the acceptability of ground pine (20, 30 and 40%, replacing part of the energetic food (corn, present in the composition of the concentrate and was performed at the Experimental Station of Itapetininga - Forest Institute / SMA, in the dry season of 2011. It were used four crossbred steers, mean 18 months old, average body weight of 250 kg, housed in a paddock provided with water ad libitum and covered troughs for supplementation with the experimental diet. The adjustment period of the animals was of 07 days and the measurement of the levels of consumption, physiological changes, acceptability and physiological parameters were observed during the following 25 days. The concentrate supplement was formulated based on corn (76.2%, Soybean Meal (20%, urea (2%, Ammonium sulfate (0.4%, calcite (1.4%, Mineral Core (1% and finely ground Pine Cone, replacing corn. In preparing food, the formulas were prepared to make them isoproteic/energetic, containing the following nutrient levels: 22% Crude Protein (CP and 79% of Total Nutrients (TDN. The animals received the supplement in three steps for each level of cone replaced, being offered in the

  18. Entropy Transfer between Residue Pairs and Allostery in Proteins: Quantifying Allosteric Communication in Ubiquitin.

    Science.gov (United States)

    Hacisuleyman, Aysima; Erman, Burak

    2017-01-01

    It has recently been proposed by Gunasakaran et al. that allostery may be an intrinsic property of all proteins. Here, we develop a computational method that can determine and quantify allosteric activity in any given protein. Based on Schreiber's transfer entropy formulation, our approach leads to an information transfer landscape for the protein that shows the presence of entropy sinks and sources and explains how pairs of residues communicate with each other using entropy transfer. The model can identify the residues that drive the fluctuations of others. We apply the model to Ubiquitin, whose allosteric activity has not been emphasized until recently, and show that there are indeed systematic pathways of entropy and information transfer between residues that correlate well with the activities of the protein. We use 600 nanosecond molecular dynamics trajectories for Ubiquitin and its complex with human polymerase iota and evaluate entropy transfer between all pairs of residues of Ubiquitin and quantify the binding susceptibility changes upon complex formation. We explain the complex formation propensities of Ubiquitin in terms of entropy transfer. Important residues taking part in allosteric communication in Ubiquitin predicted by our approach are in agreement with results of NMR relaxation dispersion experiments. Finally, we show that time delayed correlation of fluctuations of two interacting residues possesses an intrinsic causality that tells which residue controls the interaction and which one is controlled. Our work shows that time delayed correlations, entropy transfer and causality are the required new concepts for explaining allosteric communication in proteins.

  19. Computer modeling of the neurotoxin binding site of acetylcholine receptor spanning residues 185 through 196

    Science.gov (United States)

    Garduno-Juarez, R.; Shibata, M.; Zielinski, T. J.; Rein, R.

    1987-01-01

    A model of the complex between the acetylcholine receptor and the snake neurotoxin, cobratoxin, was built by molecular model building and energy optimization techniques. The experimentally identified functionally important residues of cobratoxin and the dodecapeptide corresponding to the residues 185-196 of acetylcholine receptor alpha subunit were used to build the model. Both cis and trans conformers of cyclic L-cystine portion of the dodecapeptide were examined. Binding residues independently identified on cobratoxin are shown to interact with the dodecapeptide AChR model.

  20. Detection of antibiotic residues in poultry meat.

    Science.gov (United States)

    Sajid, Abdul; Kashif, Natasha; Kifayat, Nasira; Ahmad, Shabeer

    2016-09-01

    The antibiotic residues in poultry meat can pose certain hazards to human health among them are sensitivity to antibiotics, allergic reactions, mutation in cells, imbalance of intestinal micro biota and bacterial resistance to antibiotics. The purpose of the present paper was to detect antibiotic residue in poultry meat. During the present study a total of 80 poultry kidney and liver samples were collected and tested for detection of different antibiotic residues at different pH levels Eschericha coli at pH 6, 7 and Staphyloccocus aureus at pH 8 & 9. Out of 80 samples only 4 samples were positive for antibiotic residues. The highest concentrations of antibiotic residue found in these tissues were tetracycline (8%) followed by ampicilin (4%), streptomycine (2%) and aminoglycosides (1%) as compared to other antibiotics like sulfonamides, neomycine and gentamycine. It was concluded that these microorganism at these pH levels could be effectively used for detection of antibiotic residues in poultry meat.

  1. Carbohydrate-Aromatic Interactions in Proteins.

    Science.gov (United States)

    Hudson, Kieran L; Bartlett, Gail J; Diehl, Roger C; Agirre, Jon; Gallagher, Timothy; Kiessling, Laura L; Woolfson, Derek N

    2015-12-09

    Protein-carbohydrate interactions play pivotal roles in health and disease. However, defining and manipulating these interactions has been hindered by an incomplete understanding of the underlying fundamental forces. To elucidate common and discriminating features in carbohydrate recognition, we have analyzed quantitatively X-ray crystal structures of proteins with noncovalently bound carbohydrates. Within the carbohydrate-binding pockets, aliphatic hydrophobic residues are disfavored, whereas aromatic side chains are enriched. The greatest preference is for tryptophan with an increased prevalence of 9-fold. Variations in the spatial orientation of amino acids around different monosaccharides indicate specific carbohydrate C-H bonds interact preferentially with aromatic residues. These preferences are consistent with the electronic properties of both the carbohydrate C-H bonds and the aromatic residues. Those carbohydrates that present patches of electropositive saccharide C-H bonds engage more often in CH-π interactions involving electron-rich aromatic partners. These electronic effects are also manifested when carbohydrate-aromatic interactions are monitored in solution: NMR analysis indicates that indole favorably binds to electron-poor C-H bonds of model carbohydrates, and a clear linear free energy relationships with substituted indoles supports the importance of complementary electronic effects in driving protein-carbohydrate interactions. Together, our data indicate that electrostatic and electronic complementarity between carbohydrates and aromatic residues play key roles in driving protein-carbohydrate complexation. Moreover, these weak noncovalent interactions influence which saccharide residues bind to proteins, and how they are positioned within carbohydrate-binding sites.

  2. Carbohydrate–Aromatic Interactions in Proteins

    Science.gov (United States)

    2015-01-01

    Protein–carbohydrate interactions play pivotal roles in health and disease. However, defining and manipulating these interactions has been hindered by an incomplete understanding of the underlying fundamental forces. To elucidate common and discriminating features in carbohydrate recognition, we have analyzed quantitatively X-ray crystal structures of proteins with noncovalently bound carbohydrates. Within the carbohydrate-binding pockets, aliphatic hydrophobic residues are disfavored, whereas aromatic side chains are enriched. The greatest preference is for tryptophan with an increased prevalence of 9-fold. Variations in the spatial orientation of amino acids around different monosaccharides indicate specific carbohydrate C–H bonds interact preferentially with aromatic residues. These preferences are consistent with the electronic properties of both the carbohydrate C–H bonds and the aromatic residues. Those carbohydrates that present patches of electropositive saccharide C–H bonds engage more often in CH−π interactions involving electron-rich aromatic partners. These electronic effects are also manifested when carbohydrate–aromatic interactions are monitored in solution: NMR analysis indicates that indole favorably binds to electron-poor C–H bonds of model carbohydrates, and a clear linear free energy relationships with substituted indoles supports the importance of complementary electronic effects in driving protein–carbohydrate interactions. Together, our data indicate that electrostatic and electronic complementarity between carbohydrates and aromatic residues play key roles in driving protein–carbohydrate complexation. Moreover, these weak noncovalent interactions influence which saccharide residues bind to proteins, and how they are positioned within carbohydrate-binding sites. PMID:26561965

  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. A Soluble, Folded Protein without Charged Amino Acid Residues

    DEFF Research Database (Denmark)

    Højgaard, Casper; Kofoed, Christian; Espersen, Roall

    2016-01-01

    side chains can maintain solubility, stability, and function. As a model, we used a cellulose-binding domain from Cellulomonas fimi, which, among proteins of more than 100 amino acids, presently is the least charged in the Protein Data Bank, with a total of only four titratable residues. We find......Charges are considered an integral part of protein structure and function, enhancing solubility and providing specificity in molecular interactions. We wished to investigate whether charged amino acids are indeed required for protein biogenesis and whether a protein completely free of titratable...... that the protein shows a surprising resilience toward extremes of pH, demonstrating stability and function (cellulose binding) in the pH range from 2 to 11. To ask whether the four charged residues present were required for these properties of this protein, we altered them to nontitratable ones. Remarkably...

  5. Analytical Methods for Detonation Residues of Insensitive Munitions

    Science.gov (United States)

    Walsh, Marianne E.

    2016-01-01

    Analytical methods are described for the analysis of post-detonation residues from insensitive munitions. Standard methods were verified or modified to obtain the mass of residues deposited per round. In addition, a rapid chromatographic separation was developed and used to measure the mass of NTO (3-nitro-1,2,4-triazol-5-one), NQ (nitroguanidine) and DNAN (2,4-dinitroanisole). The HILIC (hydrophilic-interaction chromatography) separation described here uses a trifunctionally-bonded amide phase to retain the polar analytes. The eluent is 75/25 v/v acetonitrile/water acidified with acetic acid, which is also suitable for LC/MS applications. Analytical runtime was three minutes. Solid phase extraction and LC/MS conditions are also described.

  6. Quantification of Drive-Response Relationships Between Residues During Protein Folding.

    Science.gov (United States)

    Qi, Yifei; Im, Wonpil

    2013-08-13

    Mutual correlation and cooperativity are commonly used to describe residue-residue interactions in protein folding/function. However, these metrics do not provide any information on the causality relationships between residues. Such drive-response relationships are poorly studied in protein folding/function and difficult to measure experimentally due to technical limitations. In this study, using the information theory transfer entropy (TE) that provides a direct measurement of causality between two times series, we have quantified the drive-response relationships between residues in the folding/unfolding processes of four small proteins generated by molecular dynamics simulations. Instead of using a time-averaged single TE value, the time-dependent TE is measured with the Q-scores based on residue-residue contacts and with the statistical significance analysis along the folding/unfolding processes. The TE analysis is able to identify the driving and responding residues that are different from the highly correlated residues revealed by the mutual information analysis. In general, the driving residues have more regular secondary structures, are more buried, and show greater effects on the protein stability as well as folding and unfolding rates. In addition, the dominant driving and responding residues from the TE analysis on the whole trajectory agree with those on a single folding event, demonstrating that the drive-response relationships are preserved in the non-equilibrium process. Our study provides detailed insights into the protein folding process and has potential applications in protein engineering and interpretation of time-dependent residue-based experimental observables for protein function.

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

    Science.gov (United States)

    Lin, Qinhao; Zhang, Guohua; Peng, Long; Bi, Xinhui; Wang, Xinming; Brechtel, Fred J.; Li, Mei; Chen, Duohong; Peng, Ping'an; Sheng, Guoying; Zhou, Zhen

    2017-07-01

    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.

  8. Artificial Neural Networks and Concentration Residual Augmented ...

    African Journals Online (AJOL)

    Artificial Neural Networks and Concentration Residual Augmented Classical Least Squares for the Simultaneous Determination of Diphenhydramine, Benzonatate, Guaifenesin and Phenylephrine in their Quaternary Mixture.

  9. RESIDUES IN CARROTS TREATED WITH LINURON

    DEFF Research Database (Denmark)

    Løkke, Hans

    1974-01-01

    Investigations have been carried out on residues of linuron and its breakdown products in carrots sprayed with Jinuron at 1, 2, or 4 kg a.i./ha, 0, 19, 28, 36 or 60 days after sowing (up to 57 days before harvesting). The extracted residues were separated into three fractions by liquid......,4-dichloroaniline and iodide ion, followed by gas chromatography with electron capture detector. Only 5-13% of the extract-able residues were breakdown products. Most of the detectable residue (87-95%) was identified as linuron. The relative proportions of linuron and breakdown products in carrots at the time...

  10. Heterodimer Binding Scaffolds Recognition via the Analysis of Kinetically Hot Residues.

    Science.gov (United States)

    Perišić, Ognjen

    2018-03-16

    Physical interactions between proteins are often difficult to decipher. The aim of this paper is to present an algorithm that is designed to recognize binding patches and supporting structural scaffolds of interacting heterodimer proteins using the Gaussian Network Model (GNM). The recognition is based on the (self) adjustable identification of kinetically hot residues and their connection to possible binding scaffolds. The kinetically hot residues are residues with the lowest entropy, i.e., the highest contribution to the weighted sum of the fastest modes per chain extracted via GNM. The algorithm adjusts the number of fast modes in the GNM's weighted sum calculation using the ratio of predicted and expected numbers of target residues (contact and the neighboring first-layer residues). This approach produces very good results when applied to dimers with high protein sequence length ratios. The protocol's ability to recognize near native decoys was compared to the ability of the residue-level statistical potential of Lu and Skolnick using the Sternberg and Vakser decoy dimers sets. The statistical potential produced better overall results, but in a number of cases its predicting ability was comparable, or even inferior, to the prediction ability of the adjustable GNM approach. The results presented in this paper suggest that in heterodimers at least one protein has interacting scaffold determined by the immovable, kinetically hot residues. In many cases, interacting proteins (especially if being of noticeably different sizes) either behave as a rigid lock and key or, presumably, exhibit the opposite dynamic behavior. While the binding surface of one protein is rigid and stable, its partner's interacting scaffold is more flexible and adaptable.

  11. Dihedral angle preferences of DNA and RNA binding amino acid residues in proteins.

    Science.gov (United States)

    Ponnuraj, Karthe; Saravanan, Konda Mani

    2017-04-01

    A protein can interact with DNA or RNA molecules to perform various cellular processes. Identifying or analyzing DNA/RNA binding site amino acid residues is important to understand molecular recognition process. It is quite possible to accurately model DNA/RNA binding amino acid residues in experimental protein-DNA/RNA complex by using the electron density map whereas, locating/modeling the binding site amino acid residues in the predicted three dimensional structures of DNA/RNA binding proteins is still a difficult task. Considering the above facts, in the present work, we have carried out a comprehensive analysis of dihedral angle preferences of DNA and RNA binding site amino acid residues by using a classical Ramachandran map. We have computed backbone dihedral angles of non-DNA/RNA binding residues and used as control dataset to make a comparative study. The dihedral angle preference of DNA and RNA binding site residues of twenty amino acid type is presented. Our analysis clearly revealed that the dihedral angles (φ, ψ) of DNA/RNA binding amino acid residues prefer to occupy (-89° to -60°, -59° to -30°) bins. The results presented in this paper will help to model/locate DNA/RNA binding amino acid residues with better accuracy. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Computational analysis of residue contributions to coiled-coil topology

    Science.gov (United States)

    Ramos, Jorge; Lazaridis, Themis

    2011-01-01

    A variety of features are thought to contribute to the oligomeric and topological specificity of coiled coils. In previous work, we examined the determinants of oligomeric state. Here, we examine the energetic basis for the tendency of six coiled-coil peptides to align their α-helices in antiparallel orientation using molecular dynamics simulations with implicit solvation (EEF1.1). We also examine the effect of mutations known to disrupt the topology of these peptides. In agreement with experiment, ARG or LYS at a or d positions were found to stabilize the antiparallel configuration. The modeling suggests that this is not due to a–a′ or d–d′ repulsions but due to interactions with e′ and g′ residues. TRP at core positions also favors the antiparallel configuration. Residues that disfavor parallel dimers, such as ILE at d, are better tolerated in, and thus favor the antiparallel configuration. Salt bridge networks were found to be more stabilizing in the antiparallel configuration for geometric reasons: antiparallel helices point amino acid side chains in opposite directions. However, the structure with the largest number of salt bridges was not always the most stable, due to desolvation and configurational entropy contributions. In tetramers, the extent of stabilization of the antiparallel topology by core residues is influenced by the e′ residue on a neighboring helix. Residues at b and c positions in some cases also contribute to stabilization of antiparallel tetramers. This work provides useful rules toward the goal of designing coiled coils with a well-defined and predictable three-dimensional structure. PMID:21858887

  13. Comprehensive review and empirical analysis of hallmarks of DNA-, RNA- and protein-binding residues in protein chains.

    Science.gov (United States)

    Zhang, Jian; Ma, Zhiqiang; Kurgan, Lukasz

    2017-12-15

    Proteins interact with a variety of molecules including proteins and nucleic acids. We review a comprehensive collection of over 50 studies that analyze and/or predict these interactions. While majority of these studies address either solely protein-DNA or protein-RNA binding, only a few have a wider scope that covers both protein-protein and protein-nucleic acid binding. Our analysis reveals that binding residues are typically characterized with three hallmarks: relative solvent accessibility (RSA), evolutionary conservation and propensity of amino acids (AAs) for binding. Motivated by drawbacks of the prior studies, we perform a large-scale analysis to quantify and contrast the three hallmarks for residues that bind DNA-, RNA-, protein- and (for the first time) multi-ligand-binding residues that interact with DNA and proteins, and with RNA and proteins. Results generated on a well-annotated data set of over 23 000 proteins show that conservation of binding residues is higher for nucleic acid- than protein-binding residues. Multi-ligand-binding residues are more conserved and have higher RSA than single-ligand-binding residues. We empirically show that each hallmark discriminates between binding and nonbinding residues, even predicted RSA, and that combining them improves discriminatory power for each of the five types of interactions. Linear scoring functions that combine these hallmarks offer good predictive performance of residue-level propensity for binding and provide intuitive interpretation of predictions. Better understanding of these residue-level interactions will facilitate development of methods that accurately predict binding in the exponentially growing databases of protein sequences. © The Author(s) 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  14. Deep residual networks of residual networks for image super-resolution

    Science.gov (United States)

    Wei, Xueqi; Yang, Fumeng; Wu, Congzhong

    2017-11-01

    Single image super-resolution (SISR), which aims at obtaining a high-resolution image from a single low-resolution image, is a classical problem in computer vision. In this paper, we address this problem based on a deep learning method with residual learning in an end-to-end manner. We propose a novel residual-network architecture, Residual networks of Residual networks (RoR), to promote the learning capability of residual networks for SISR. In residual network, the signal can be directly propagated from one unit to any other units in both forward and backward passes when using identity mapping as the skip connections. Based on it, we add level-wise connections upon original residual networks, to dig the optimization ability of residual networks. Our experiments demonstrate the effectiveness and versatility of RoR, it can get a faster convergence speed and gain higher resolution accuracy from considerably increased depth.

  15. Ammonia emission from crop residues : quantification of ammonia volatilization based on crop residue properties

    NARCIS (Netherlands)

    Ruijter, de F.J.; Huijsmans, J.F.M.

    2012-01-01

    This paper gives an overview of available literature data on ammonia volatilization from crop residues. From these data, a relation is derived for the ammonia emission depending on the N-content of crop residue.

  16. Predicting protein-protein interface residues using local surface structural similarity

    Directory of Open Access Journals (Sweden)

    Jordan Rafael A

    2012-03-01

    Full Text Available Abstract Background Identification of the residues in protein-protein interaction sites has a significant impact in problems such as drug discovery. Motivated by the observation that the set of interface residues of a protein tend to be conserved even among remote structural homologs, we introduce PrISE, a family of local structural similarity-based computational methods for predicting protein-protein interface residues. Results We present a novel representation of the surface residues of a protein in the form of structural elements. Each structural element consists of a central residue and its surface neighbors. The PrISE family of interface prediction methods uses a representation of structural elements that captures the atomic composition and accessible surface area of the residues that make up each structural element. Each of the members of the PrISE methods identifies for each structural element in the query protein, a collection of similar structural elements in its repository of structural elements and weights them according to their similarity with the structural element of the query protein. PrISEL relies on the similarity between structural elements (i.e. local structural similarity. PrISEG relies on the similarity between protein surfaces (i.e. general structural similarity. PrISEC, combines local structural similarity and general structural similarity to predict interface residues. These predictors label the central residue of a structural element in a query protein as an interface residue if a weighted majority of the structural elements that are similar to it are interface residues, and as a non-interface residue otherwise. The results of our experiments using three representative benchmark datasets show that the PrISEC outperforms PrISEL and PrISEG; and that PrISEC is highly competitive with state-of-the-art structure-based methods for predicting protein-protein interface residues. Our comparison of PrISEC with PredUs, a recently

  17. Process for measuring residual stresses

    International Nuclear Information System (INIS)

    Elfinger, F.X.; Peiter, A.; Theiner, W.A.; Stuecker, E.

    1982-01-01

    No single process can at present solve all problems. The complete destructive processes only have a limited field of application, as the component cannot be reused. However, they are essential for the basic determination of stress distributions in the field of research and development. Destructive and non-destructive processes are mainly used if investigations have to be carried out on original components. With increasing component size, the part of destructive tests becomes smaller. The main applications are: quality assurance, testing of manufactured parts and characteristics of components. Among the non-destructive test procedures, X-raying has been developed most. It gives residual stresses on the surface and on surface layers near the edges. Further development is desirable - in assessment - in measuring techniques. Ultrasonic and magnetic crack detection processes are at present mainly used in research and development, and also in quality assurance. Because of the variable depth of penetration and the possibility of automation they are gaining in importance. (orig./RW) [de

  18. Tank 12H residuals sample analysis report

    Energy Technology Data Exchange (ETDEWEB)

    Oji, L. N. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Shine, E. P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Diprete, D. P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Coleman, C. J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hay, M. S. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-06-11

    The Savannah River National Laboratory (SRNL) was requested by Savannah River Remediation (SRR) to provide sample preparation and analysis of the Tank 12H final characterization samples to determine the residual tank inventory prior to grouting. Eleven Tank 12H floor and mound residual material samples and three cooling coil scrape samples were collected and delivered to SRNL between May and August of 2014.

  19. Does Bt Corn Really Produce Tougher Residues

    Science.gov (United States)

    Bt corn hybrids produce insecticidal proteins that are derived from a bacterium, Bacillus thuringiensis. There have been concerns that Bt corn hybrids produce residues that are relatively resistant to decomposition. We conducted four experiments that examined the decomposition of corn residues und...

  20. Residual stresses in steel and zirconium weldments

    International Nuclear Information System (INIS)

    Root, J.H.; Coleman, C.E.; Bowden, J.W.

    1997-01-01

    Three-dimensional scans of residual stress within intact weldments provide insight into the consequences of various welding techniques and stress-relieving procedures. The neutron diffraction method for nondestructive evaluation of residual stresses has been applied to a circumferential weld in a ferritic steel pipe of outer diameter 114 mm and thickness 8.6 mm. The maximum tensile stresses, 250 MPa in the hoop direction, are found at mid-thickness of the fusion zone. The residual stresses approach zero within 20 mm from the weld center. The residual stresses caused by welding zirconium alloy components are partially to blame for failures due to delayed-hydride cracking. Neutron diffraction measurements in a GTA-welded Zr-2.5 Nb plate have shown that heat treatment at 530 C for 1 h reduces the longitudinal residual strain by 60%. Neutron diffraction has also been used to scan the residual stresses near circumferential electron beam welds in irradiated and unirradiated Zr-2.5 Nb pressure tubes. The residual stresses due to electron beam welding appear to be lower than 130 MPa, even in the as-welded state. No significant changes occur in the residual stress pattern of the electron-beam welded tube, during a prolonged exposure to thermal neutrons and the temperatures typical of an operating nuclear reactor

  1. Densification of FL Chains via Residuated Frames

    Czech Academy of Sciences Publication Activity Database

    Baldi, Paolo; Terui, K.

    2016-01-01

    Roč. 75, č. 2 (2016), s. 169-195 ISSN 0002-5240 R&D Projects: GA ČR GAP202/10/1826 Keywords : densifiability * standard completeness * residuated lattices * residuated frames * fuzzy logic Subject RIV: BA - General Mathematics Impact factor: 0.625, year: 2016

  2. Spatial resolution enhancement residual coding using hybrid ...

    Indian Academy of Sciences (India)

    a normal video frames possess distinct characteristics compared to a residual frame. In this paper, we .... analyze the characteristics of IP, MC and RE residuals (Kamisli 2010; Rao et al 2007). The estimation ..... Eslami R and Radha H 2007 A new family of nonredundant transforms using hybrid wavelets and directional filter ...

  3. Semantic Tagging with Deep Residual Networks

    NARCIS (Netherlands)

    Bjerva, Johannes; Plank, Barbara; Bos, Johan

    2016-01-01

    We propose a novel semantic tagging task, semtagging, tailored for the purpose of multilingual semantic parsing, and present the first tagger using deep residual networks (ResNets). Our tagger uses both word and character representations and includes a novel residual bypass architecture. We evaluate

  4. Soil water evaporation and crop residues

    Science.gov (United States)

    Crop residues have value when left in the field and also when removed from the field and sold as a commodity. Reducing soil water evaporation (E) is one of the benefits of leaving crop residues in place. E was measured beneath a corn canopy at the soil suface with nearly full coverage by corn stover...

  5. Unicystic ameloblastoma arising from a residual cyst

    Science.gov (United States)

    Mahajan, Amit D; Manjunatha, Bhari Sharanesha; Khurana, Neha M; Shah, Navin

    2014-01-01

    Intraoral swellings involving alveolar ridges in edentulous patients are clinically diagnosed as residual cysts, traumatic bone cysts, Stafne's jaw bone cavity, ameloblastoma and metastatic tumours of the jaw. This case report describes a residual cyst in a 68-year-old edentulous male patient which was enucleated and histopathologically confirmed as a unicystic ameloblastoma. PMID:25199192

  6. Electrodialytic remediation of air pollution control residues

    DEFF Research Database (Denmark)

    Jensen, Pernille Erland

    Air pollution control (APC) residue from municipal solid waste incineration (MSWI) consists of the fly ash, and, in dry and semi-dry systems, also the reaction products from the flue gas cleaning process. APC residue is considered a hazardous waste due to its high alkalinity, high content of salts...

  7. Distribution of residues and primitive roots

    Indian Academy of Sciences (India)

    quadratic residues and non-residues cases using some refinement of van der Warden's the- orem in combinatorial number theory. Therefore, in his proof, the constant p0(N) depends on the van der Warden number, which is very difficult to calculate for all N. For instance, recently, Luca and Thangadurai [8] proved that for all ...

  8. Bioaccumulation and distribution of organochlorine residues across ...

    African Journals Online (AJOL)

    The transfer of organochlorine residues in the food chain and its distribution in the trophic levels was influenced by habitat, environmental conditions, feeding habit and biochemical composition of individual populations. The total residual concentration of OCPs in shellfish and fish ranged between 0.16 ppm and 0.69 ppm.

  9. Power from wastewater and residual products

    DEFF Research Database (Denmark)

    Krogh-Jeppesen, K.

    2007-01-01

    Microbial fuel cells utilise wastewater and residual products from the pretreatment of straw to generate power. Denmark could lead the way......Microbial fuel cells utilise wastewater and residual products from the pretreatment of straw to generate power. Denmark could lead the way...

  10. Residuals Management and Water Pollution Control Planning.

    Science.gov (United States)

    Environmental Protection Agency, Washington, DC. Office of Public Affairs.

    This pamphlet addresses the problems associated with residuals and water quality especially as it relates to the National Water Pollution Control Program. The types of residuals and appropriate management systems are discussed. Additionally, one section is devoted to the role of citizen participation in developing management programs. (CS)

  11. 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…

  12. 77 FR 24671 - Compliance Guide for Residue Prevention and Agency Testing Policy for Residues

    Science.gov (United States)

    2012-04-25

    ... Food Safety and Inspection Service Compliance Guide for Residue Prevention and Agency Testing Policy for Residues AGENCY: Food Safety and Inspection Service, USDA. ACTION: Notice of availability and... availability of a compliance guide for the prevention of violative residues in livestock slaughter...

  13. Identification and analysis of key residues involved in folding and binding of protein-carbohydrate complexes.

    Science.gov (United States)

    Gromiha, Michael; Shanmugam, N R Siva; Selvin, J Fermin Angelo; Veluraja, K

    2018-02-21

    Protein-carbohydrate interactions play vital roles in several biological processes in living organisms. The comparative analysis of binding site residues along with stabilizing residues in protein-carbohydrate complexes provides ample insights to understand the structure, function and recognition mechanism. In this work, we have identified 2.45% binding site residues in a non-redundant dataset of 1130 complexes using distance-based criteria and 7.07% stabilizing residues using the concepts of hydrophobicity, long-range interactions and conservation of residues. Further, 5.9% of binding and 2.04% of stabilizing residues are common to each other, which are termed as key residues. The key residues have been analyzed based on protein classes, carbohydrate types, gene ontology functional classifications, amino acid preference and structure-based parameters. We found that all-β, α+β and α/β have more key residues than other protein classes and most of the KRs are present in β-strands, which shows their importance in stability and binding of complexes. On the ligand side, L-saccharide has the highest number of key residues and it has a high percentage of KRs in SRs and BRs than other carbohydrate types. Further, polar and charged residues have a high tendency to serve as key residues. Classifications based on gene ontology terms revealed that Lys is preferred in all the three groups: molecular functions, biological processes and cellular components. Key residues have 6 to 9 contacts within the protein and make only one contact with the carbohydrate ligand. These contacts are dominant to form polar-nonpolar contacts followed by the contacts between charged atoms. Further, the influence of sequence and structural parameters such as surrounding hydrophobicity, solvent accessibility, secondary structure, long-range order and conservation score has been discussed. This analysis helps in understanding the interplay between stability and binding in protein

  14. Residual stress measurement for injection molded components

    Directory of Open Access Journals (Sweden)

    Achyut Adhikari

    2016-07-01

    Full Text Available Residual stress induced during manufacturing of injection molded components such as polymethyl methacrylate (PMMA affects the mechanical and optical properties of these components. These residual stresses can be visualized and quantified by measuring their birefringence. In this paper, a low birefringence polariscope (LBP is used to measure the whole-field residual stress distribution of these injection molded specimens. Detailed analytical and experimental study is conducted to quantify the residual stress measurement in these materials. A commercial birefringence measurement system was used to validate the results obtained to our measurement system. This study can help in material diagnosis for quality and manufacturing purpose and be useful for understanding of residual stress in imaging or other applications.

  15. Erratum to: Estimating the crop response to fertilizer nitrogen residues in long-continued field experiments

    DEFF Research Database (Denmark)

    Petersen, Jens; Thomsen, Ingrid Kaag; Mattson, L

    2012-01-01

    to previous N input rates, the experimental design for testing needs to be examined. Experimental designs that suspend the customary N inputs, leaving the test crop unfertilized, ignore any interaction between the rate of N applied in the past and the rate applied in the test year. We estimated...... and N offtake when the residual effect originated from organic applications, but the interaction was not significant when mineral N fertilizer had been used in the past, making the residual effect of N applied in the past additive to the effect of N applied in the test year. The dry matter (DM) grain...

  16. CCMpred--fast and precise prediction of protein residue-residue contacts from correlated mutations.

    Science.gov (United States)

    Seemayer, Stefan; Gruber, Markus; Söding, Johannes

    2014-11-01

    Recent breakthroughs in protein residue-residue contact prediction have made reliable de novo prediction of protein structures possible. The key was to apply statistical methods that can distinguish direct couplings between pairs of columns in a multiple sequence alignment from merely correlated pairs, i.e. to separate direct from indirect effects. Two classes of such methods exist, either relying on regularized inversion of the covariance matrix or on pseudo-likelihood maximization (PLM). Although PLM-based methods offer clearly higher precision, available tools are not sufficiently optimized and are written in interpreted languages that introduce additional overheads. This impedes the runtime and large-scale contact prediction for larger protein families, multi-domain proteins and protein-protein interactions. Here we introduce CCMpred, our performance-optimized PLM implementation in C and CUDA C. Using graphics cards in the price range of current six-core processors, CCMpred can predict contacts for typical alignments 35-113 times faster and with the same precision as the most accurate published methods. For users without a CUDA-capable graphics card, CCMpred can also run in a CPU mode that is still 4-14 times faster. Thanks to our speed-ups (http://dictionary.cambridge.org/dictionary/british/speed-up) contacts for typical protein families can be predicted in 15-60 s on a consumer-grade GPU and 1-6 min on a six-core CPU. CCMpred is free and open-source software under the GNU Affero General Public License v3 (or later) available at https://bitbucket.org/soedinglab/ccmpred. © The Author 2014. Published by Oxford University Press.

  17. Structural characteristics of an antigen required for its interaction with Ia and recognition by T cells

    DEFF Research Database (Denmark)

    Sette, A; Buus, S; Colon, S

    1987-01-01

    A detailed analysis of the residues within an immunogenic peptide that endow it with the capacity to interact with Ia and to be recognized by T cells is presented. Ia interacts with only a few of the peptide residues and overall exhibits a very broad specificity. Some residues appear to interact...... both with Ia and with T cells, leading to a model in which a peptide antigen is 'sandwiched' between Ia and the T-cell receptor....

  18. Heavy residue properties in intermediate energy nuclear collisions with gold

    International Nuclear Information System (INIS)

    Aleklett, K.; Sihver, L.; Liljenzin, J.O.; Seaborg, G.T.

    1990-10-01

    We have measured the target fragment production cross sections and angular distributions for the interaction of 32, 44 and 93 MeV/nucleon argon, 35 and 43 MeV/nucleon krypton with gold. The fragment isobaric yield distributions, moving frame angular distributions and velocities have been deduced from these data. This fission cross section decreases with increasing projectile energy and the heavy residue cross section increases. The ratio v parallel /v cn increases approximately linearly with mass removed from the target. 21 refs., 8 figs

  19. Residual stresses in zircaloy welds

    International Nuclear Information System (INIS)

    Santisteban, J. R.; Fernandez, L; Vizcaino, P.; Banchik, A.D.; Samper, R; Martinez, R. L; Almer, J; Motta, A.T.; Colas, K.B; Kerr, M.; Daymond, M.R

    2009-01-01

    Welds in Zirconium-based alloys are susceptible to hydrogen embrittlement, as H enters the material due to dissociation of water. The yield strain for hydride cracking has a complex dependence on H concentration, stress state and texture. The large thermal gradients produced by the applied heat; drastically changes the texture of the material in the heat affected zone, enhancing the susceptibility to delayed hydride cracking. Normally hydrides tend to form as platelets that are parallel to the normal direction, but when welding plates, hydride platelets may form on cooling with their planes parallel to the weld and through the thickness of the plates. If, in addition to this there are significant tensile stresses, the susceptibility of the heat affected zone to delayed hydride cracking will be increased. Here we have measured the macroscopic and microscopic residual stressed that appear after PLASMA welding of two 6mm thick Zircaloy-4 plates. The measurements were based on neutron and synchrotron diffraction experiments performed at the Isis Facility, UK, and at Advanced Photon Source, USA, respectively. The experiments allowed assessing the effect of a post-weld heat treatment consisting of a steady increase in temperature from room temperature to 450oC over a period of 4.5 hours; followed by cooling with an equivalent cooling rate. Peak tensile stresses of (175± 10) MPa along the longitudinal direction were found in the as-welded specimen, which were moderately reduced to (150±10) MPa after the heat-treatment. The parent material showed intergranular stresses of (56±4) MPa, which disappeared on entering the heat-affected zone. In-situ experiments during themal cyclong of the material showed that these intergranular stresses result from the anisotropy of the thermal expansion coefficient of the hexagonal crystal lattice. [es

  20. Residual complaints after neuralgic amyotrophy.

    Science.gov (United States)

    Cup, Edith H; Ijspeert, Jos; Janssen, Renske J; Bussemaker-Beumer, Chaska; Jacobs, Joost; Pieterse, Allan J; van der Linde, Harmen; van Alfen, Nens

    2013-01-01

    To develop recommendations regarding outcome measures and topics to be addressed in rehabilitation for persons with neuralgic amyotrophy (NA), this study explored which functions and activities are related to persisting pain in NA and which questionnaires best capture these factors. A questionnaire-based survey from 2 cross-sectional cohorts, one of patients visiting the neurology outpatient clinic and a cohort seen at a multidisciplinary plexus clinic. Two tertiary referral clinics based in the Department of Neurology and Rehabilitation from a university medical center provided the data. A referred sample of patients (N=248) with either idiopathic or hereditary NA who fulfilled the criteria for this disorder, in whom the last episode of NA had been at least 6 months ago and included brachial plexus involvement. Not applicable. Two custom clinical screening questionnaires were used as well as the Shoulder Rating Questionnaire-Dutch Language Version, the Shoulder Pain and Disability Index (SPADI), the Shoulder Disability Questionnaire (SDQ), and Overall Disability Sum Score. The survey confirms the high prevalence of persisting pain and impairments. More than half of the patients were restricted by pain, while in those without pain 60% experienced residual paresis. Correlations show an intimate relation between pain, scapular instability, problems with overhead activities, and increased fatigability. A standard physical therapy approach was ineffective or aggravated symptoms in more than 50%. Pain and fatigue are strongly correlated to persisting scapular instability and increased fatigability of the affected muscles in NA. Our results suggest that an integrated rehabilitation approach is needed in which all of these factors are addressed. We further recommend using the SPADI and SDQ in future studies to evaluate the natural course and treatment effects in NA. Copyright © 2013 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights

  1. Dissection of Functional Residues in Receptor Activity-Modifying Proteins Through Phylogenetic and Statistical Analyses

    Directory of Open Access Journals (Sweden)

    Alfonso Benítez-Páez

    2008-01-01

    Full Text Available Type I and type-II functional divergences have been stated to highlight specific residues carrying out differential functions in evolutionary-divergent protein clusters from a single common ancestor. Briefly, type I analysis is based on residue constraints reflecting a gain of function just in one cluster of an entire family of proteins; while the type-II approach is based on residue constraints showing a different chemical nature in every cluster of a protein family. This last evidence is understood as differential functionality among clusters. The Receptor Activity-Modifying Proteins constitute a family characterized by its paralogous distribution in vertebrates. They are known as G-Protein Coupled Receptor modulators. Although several studies have determined their involvement in ligand binding, specificity, and enhancement of signal transduction, the responsible residues supporting those functions are unclear. Using different bioinformatic approaches, we predicted residues involved in different RAMP functional tasks. Many residues localized in an extracellular coil of RAMP proteins were predicted to be under functional divergence suggesting a gain of function in their respective proteins. Interestingly, the transmembrane region also showed important results for residues playing relevant roles where most of them showed a biased distribution on the structure. A relevant role was conferred by the enrichment of type-II residues observed in their sequences. We show a collection of residues explaining possible gain of function and differential functionality in RAMP proteins. These residues are still experimentally unexplored with regards to functionality. Finally, an evolutionary history could be discerned. Mainly, the RAMP2 cluster has evolved in a higher manner than other RAMP clusters. However, a deacceleration in the aminoacid substitution rate of RAMP2 was observed in mammals. Such effect could be caused by the co-evolution of ligands and

  2. A comprehensive comparative review of sequence-based predictors of DNA- and RNA-binding residues.

    Science.gov (United States)

    Yan, Jing; Friedrich, Stefanie; Kurgan, Lukasz

    2016-01-01

    Motivated by the pressing need to characterize protein-DNA and protein-RNA interactions on large scale, we review a comprehensive set of 30 computational methods for high-throughput prediction of RNA- or DNA-binding residues from protein sequences. We summarize these predictors from several significant perspectives including their design, outputs and availability. We perform empirical assessment of methods that offer web servers using a new benchmark data set characterized by a more complete annotation that includes binding residues transferred from the same or similar proteins. We show that predictors of DNA-binding (RNA-binding) residues offer relatively strong predictive performance but they are unable to properly separate DNA- from RNA-binding residues. We design and empirically assess several types of consensuses and demonstrate that machine learning (ML)-based approaches provide improved predictive performance when compared with the individual predictors of DNA-binding residues or RNA-binding residues. We also formulate and execute first-of-its-kind study that targets combined prediction of DNA- and RNA-binding residues. We design and test three types of consensuses for this prediction and conclude that this novel approach that relies on ML design provides better predictive quality than individual predictors when tested on prediction of DNA- and RNA-binding residues individually. It also substantially improves discrimination between these two types of nucleic acids. Our results suggest that development of a new generation of predictors would benefit from using training data sets that combine both RNA- and DNA-binding proteins, designing new inputs that specifically target either DNA- or RNA-binding residues and pursuing combined prediction of DNA- and RNA-binding residues. © The Author 2015. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  3. Residual DPCM about Motion Compensated Residual Signal for H.264 Lossless Coding

    Science.gov (United States)

    Han, Ki-Hun; Rao, Kamisetty R.; Lee, Yung-Lyul

    In this letter, a new Inter lossless coding method based on a residual DPCM (Differential Pulse Code Modulation) is proposed to improve compression ratio in the H.264 standard. Since the spatial correlation in a residual block can be further exploited among the residual signals after motion estimation/compensation, horizontal or vertical DPCM in the residual signals can be applied to further reduce the magnitudes of the residual signals. The proposed method reduces the average bitrates of 3.5% compared with the Inter lossless coding of the H.264 standard.

  4. Residual distribution for general time-dependent conservation laws

    International Nuclear Information System (INIS)

    Ricchiuto, Mario; Csik, Arpad; Deconinck, Herman

    2005-01-01

    We consider the second-order accurate numerical solution of general time-dependent hyperbolic conservation laws over unstructured grids in the framework of the Residual Distribution method. In order to achieve full conservation of the linear, monotone and first-order space-time schemes of (Csik et al., 2003) and (Abgrall et al., 2000), we extend the conservative residual distribution (CRD) formulation of (Csik et al., 2002) to prismatic space-time elements. We then study the design of second-order accurate and monotone schemes via the nonlinear mapping of the local residuals of linear monotone schemes. We derive sufficient and necessary conditions for the well-posedness of the mapping. We prove that the schemes obtained with the CRD formulation satisfy these conditions by construction. Thus the nonlinear schemes proposed in this paper are always well defined. The performance of the linear and nonlinear schemes are evaluated on a series of test problems involving the solution of the Euler equations and of a two-phase flow model. We consider the resolution of strong shocks and complex interacting flow structures. The results demonstrate the robustness, accuracy and non-oscillatory character of the proposed schemes. d schemes

  5. Prediction of machining induced residual stresses

    Science.gov (United States)

    Pramod, Monangi; Reddy, Yarkareddy Gopi; Prakash Marimuthu, K.

    2017-07-01

    Whenever a component is machined, residual stresses are induced in it. These residual stresses induced in the component reduce its fatigue life, corrosion resistance and wear resistance. Thus it is important to predict and control the machining-induced residual stress. A lot of research is being carried out in this area in the past decade. This paper aims at prediction of residual stresses during machining of Ti-6Al-4V. A model was developed and under various combinations of cutting conditions such as, speed, feed and depth of cut, the behavior of residual stresses were simulated using Finite Element Model. The present work deals with the development of thermo-mechanical model to predict the machining induced residual stresses in Titanium alloy. The simulation results are compared with the published results. The results are in good agreement with the published results. Future work involves optimization or the cutting parameters that effect the machining induced residual stresses. The results obtained were validated with previous work.

  6. Making Sense of Residues on Flaked Stone Artefacts: Learning from Blind Tests

    Science.gov (United States)

    Rots, Veerle; Hayes, Elspeth; Cnuts, Dries; Lepers, Christian; Fullagar, Richard

    2016-01-01

    Residue analysis has become a frequently applied method for identifying prehistoric stone tool use. Residues adhering to the stone tool with varying frequencies are interpreted as being the result of an intentional contact with the worked material during use. Yet, other processes during the life cycle of a stone tool or after deposition may leave residues and these residues may potentially lead to misinterpretations. We present a blind test that was designed to examine this issue. Results confirm that production, retouch, prehension, hafting, various incidental contacts during use and deposition may lead to residue depositions that significantly affect the accurateness of identifications of tool-use. All currently applied residue approaches are concerned. We therefore argue for a closer interaction with independent wear studies and a step-wise procedure in which a low magnification of wear traces is used as a first step for selecting potentially used flakes in archaeological contexts. In addition, residue concentrations on a tool’s edge should be sufficiently dense before linking them with use. PMID:26930210

  7. Morphogenic and structural traits of Brachiaria brizantha cv. Marandu under different nitrogen levels and residues heights

    Directory of Open Access Journals (Sweden)

    Eleuza Clarete Junqueira de Sales

    2014-10-01

    Full Text Available The objective of this study was to evaluate the rate of leaf appearance, leaf elongation rate, number of green leaves, length of blade and stem of Brachiaria brizantha cv. Marandu under different nitrogen levels and two residue heights. A randomized block design was used in a 4 x 2 factorial scheme, four doses of nitrogen (100, 200, 300 and 400 kg N ha-1 year-1 and two residue heights (5 and 15 cm. There was significant interaction between residue height and nitrogen levels for leaf appearance rate (P> 0.05 of signal grass, which was influenced negatively and linearly (P 0.05 between the levels of nitrogen x residue height on the number of green leaves. The dosage that provided the highest stalk in the residue height of 5 cm was of 271.5 kg N ha -1. An increase of 0.0745 cm tiller -1 day-1 for 1 kg of N ha -1 applied to height of 15 cm of residue was observed. Nitrogen fertilization contributes positively to growth and development of rates of appearance and leaf extension. The management of pasture of Brachiaria brizantha cv. Marandu with 5 cm of residue and fertilization with 100 kg N ha -1 provided better answer morphogenic traits.

  8. Residual stress field of ballised holes

    International Nuclear Information System (INIS)

    Lai, Man On; He, Zhimin

    2012-01-01

    Ballising, involving pushing a slightly over-sized ball made of hard material through a hole, is a kind of cold working process. Applying ballising process to fastener holes produces compressive residual stress on the edge of the holes, and therefore increases the fatigue life of the components or structures. Quantification of the residual stress field is critical to define and precede the ballising process. In this article, the ballised holes are modeled as cold-expanded holes. Elastic-perfectly plastic theory is employed to analyze the holes with cold expansion process. For theoretical simplification, an axially symmetrical thin plate with a cold expanded hole is assumed. The elasticplastic boundaries and residual stress distribution surrounding the cold expanded hole are derived. With the analysis, the residual stress field can be obtained together with actual cold expansion process in which only the diameters of hole before and after cold expansion need to be measured. As it is a non-destructive method, it provides a convenient way to estimate the elastic-plastic boundaries and residual stresses of cold worked holes. The approach is later extended to the case involving two cold-worked holes. A ballised hole is looked upon as a cold expanded hole and therefore is investigated by the approach. Specimens ballised with different interference levels are investigated. The effects of interference levels and specimen size on residual stresses are studied. The overall residual stresses of plates with two ballised holes are obtained by superposing the residual stresses induced on a single ballised hole. The effects of distance between the centers of the two holes with different interference levels on the residual stress field are revealed

  9. Electromagnetic neutron-atom interactions

    International Nuclear Information System (INIS)

    Sears, V.F.

    1986-01-01

    In the collision of a neutron with an atom there exists, in addition to the strong interaction with the nucleus and the magnetic dipole interaction with the magnetic electrons, a number of secondary electromagnetic interactions. The latter interactions include the spin-orbit (or Schwinger) interaction, the Foldy interaction, the nuclear magnetic dipole interaction, and interactions arising from the electric polarizability and the finite intrinsic charge radius of the neutron. We present in this paper a comprehensive review of the electromagnetic neutron-atom interactions with particular emphasis on the question of the extent to which the secondary interactions are already included implicitly in the scattering lengths obtained from accurate neutron optical measurements, which one finds listed in data tables, and the conditions under which explicit corrections for the residual secondary interactions are required in the analysis of neutron diffraction and inelastic scattering data for condensed matter. The main conclusion is that, except for the lightest atoms, the current habit of neglecting the secondary interactions can lead to significant systematic errors of up to 2 to 3% in neutron scattering experiments which extend over a wide range of momentum transfers. (orig.)

  10. Roles of residues in the interface of transient protein-protein complexes before complexation

    Science.gov (United States)

    Swapna, Lakshmipuram S.; Bhaskara, Ramachandra M.; Sharma, Jyoti; Srinivasan, Narayanaswamy

    2012-01-01

    Transient protein-protein interactions play crucial roles in all facets of cellular physiology. Here, using an analysis on known 3-D structures of transient protein-protein complexes, their corresponding uncomplexed forms and energy calculations we seek to understand the roles of protein-protein interfacial residues in the unbound forms. We show that there are conformationally near invariant and evolutionarily conserved interfacial residues which are rigid and they account for ∼65% of the core interface. Interestingly, some of these residues contribute significantly to the stabilization of the interface structure in the uncomplexed form. Such residues have strong energetic basis to perform dual roles of stabilizing the structure of the uncomplexed form as well as the complex once formed while they maintain their rigid nature throughout. This feature is evolutionarily well conserved at both the structural and sequence levels. We believe this analysis has general bearing in the prediction of interfaces and understanding molecular recognition. PMID:22451863

  11. Guidelines for selection and presentation of residue values of pesticides

    NARCIS (Netherlands)

    Velde-Koerts T van der; Hoeven-Arentzen PH van; Ossendorp BC; RIVM-SIR

    2004-01-01

    Pesticide residue assessments are executed to establish legal limits, called Maximum Residue Limits (MRLs). MRLs are derived from the results of these pesticide residue trials, which are performed according to critical Good Agricultural Practice. Only one residue value per residue trial may be

  12. Bayesian classification of residues associated with protein functional divergence: Arf and Arf-like GTPases

    Directory of Open Access Journals (Sweden)

    Neuwald Andrew F

    2010-12-01

    Full Text Available Abstract Background Certain residues within proteins are highly conserved across very distantly related organisms, yet their (presumably critical structural or mechanistic roles are completely unknown. To obtain clues regarding such residues within Arf and Arf-like (Arf/Arl GTPases--which function as on/off switches regulating vesicle trafficking, phospholipid metabolism and cytoskeletal remodeling--I apply a new sampling procedure for comparative sequence analysis, termed multiple category Bayesian Partitioning with Pattern Selection (mcBPPS. Results The mcBPPS sampler classified sequences within the entire P-loop GTPase class into multiple categories by identifying those evolutionarily-divergent residues most likely to be responsible for functional specialization. Here I focus on categories of residues that most distinguish various Arf/Arl GTPases from other GTPases. This identified residues whose specific roles have been previously proposed (and in some cases corroborated experimentally and that thus serve as positive controls, as well as several categories of co-conserved residues whose possible roles are first hinted at here. For example, Arf/Arl/Sar GTPases are most distinguished from other GTPases by a conserved aspartate residue within the phosphate binding loop (P-loop and by co-conserved residues nearby that, together, can form a network of salt-bridge and hydrogen bond interactions centered on the GTPase active site. Residues corresponding to an N-[VI] motif that is conserved within Arf/Arl GTPases may play a role in the interswitch toggle characteristic of the Arf family, whereas other, co-conserved residues may modulate the flexibility of the guanine binding loop. Arl8 GTPases conserve residues that strikingly diverge from those typically found in other Arf/Arl GTPases and that form structural interactions suggestive of a novel interswitch toggle mechanism. Conclusions This analysis suggests specific mutagenesis experiments to

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

    Science.gov (United States)

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

  14. Properties of residuals for spatial point processes

    DEFF Research Database (Denmark)

    Baddeley, A.; Møller, Jesper; Pakes, A. G.

    2008-01-01

    For any point process in Rd that has a Papangelou conditional intensity λ, we define a random measure of ‘innovations' which has mean zero. When the point process model parameters are estimated from data, there is an analogous random measure of ‘residuals'. We analyse properties of the innovation...... and residuals, including first and second moments, conditional independence, a martingale property, and lack of correlation. Some large sample asymptotics are studied. We derive the marginal distribution of smoothed residuals by solving a distributional equivalence....

  15. An Analysis of Central Residues Between Ligand-Bound and Ligand-Free Protein Structures Based on Network Approach.

    Science.gov (United States)

    Amala, Arumugam; Emerson, Isacc Arnold

    2017-08-01

    Depiction of protein structures as networks of interacting residues has enabled us to understand the structure and function of the protein. Previous investigations on closeness centrality have identified protein functional sites from three- dimensional structures. It is well recognized that ligand binding to a receptor protein induces a wide range of structural changes. An interesting question is how central residues function during conformational changes triggered during ligand binding? The aim of this study is to comprehend at what extent central residues change during ligand binding to receptor proteins. To determine this, we examined 37 pairs of protein structures consisting of ligand-bound and ligand-free forms. These protein structures were modelled as an undirected network and significant central residues were obtained using residue centrality measures. In addition to these, the basic network parameters were also analysed. On analysing the residue centrality measures, we observed that 60% of central residues were common in both the ligand-bound and ligand-free states. The geometry of the central residues revealed that they were situated closer to the protein center of the mass. Finally, we demonstrated the effectiveness of central residues in amino acids substitutions and in the evolution itself. The closeness centrality was also analyzed among different protein domain sizes and the values gradually declined from single-domains to multi-domain proteins suggesting that the network has potential for hierarchical organization. Betweenness centrality measure was also used to determine the central residues and 31% of these residues were common between the holo/apo states. Findings reveal that central residues play a significant role in determining the functional properties of proteins. These results have implications in predicting binding/active site residues, specifically in the context of drug designing, if additional information concerning ligand binding is

  16. Mapping Residual Structure in Intrinsically Disordered Proteins at Residue Resolution Using Millisecond Hydrogen/Deuterium Exchange and Residue Averaging

    Science.gov (United States)

    Keppel, Theodore R.; Weis, David D.

    2015-04-01

    Measurement of residual structure in intrinsically disordered proteins can provide insights into the mechanisms by which such proteins undergo coupled binding and folding. The present work describes an approach to measure residual structure in disordered proteins using millisecond hydrogen/deuterium (H/D) exchange in a conventional bottom-up peptide-based workflow. We used the exchange mid-point, relative to a totally deuterated control, to quantify the rate of H/D exchange in each peptide. A weighted residue-by-residue average of these midpoints was used to map the extent of residual structure at near single-residue resolution. We validated this approach both by simulating a disordered protein and experimentally using the p300 binding domain of ACTR, a model disordered protein already well-characterized by other approaches. Secondary structure elements mapped in the present work are in good agreement with prior nuclear magnetic resonance measurements. The new approach was somewhat limited by a loss of spatial resolution and subject to artifacts because of heterogeneities in intrinsic exchange. Approaches to correct these limitations are discussed.

  17. Poliovirus polymerase residue 5 plays a critical role in elongation complex stability.

    Science.gov (United States)

    Hobdey, Sarah E; Kempf, Brian J; Steil, Benjamin P; Barton, David J; Peersen, Olve B

    2010-08-01

    The structures of polio-, coxsackie-, and rhinovirus polymerases have revealed a conserved yet unusual protein conformation surrounding their buried N termini where a beta-strand distortion results in a solvent-exposed hydrophobic amino acid at residue 5. In a previous study, we found that coxsackievirus polymerase activity increased or decreased depending on the size of the amino acid at residue 5 and proposed that this residue becomes buried during the catalytic cycle. In this work, we extend our studies to show that poliovirus polymerase activity is also dependent on the nature of residue 5 and further elucidate which aspects of polymerase function are affected. Poliovirus polymerases with mutations of tryptophan 5 retain wild-type elongation rates, RNA binding affinities, and elongation complex formation rates but form unstable elongation complexes. A large hydrophobic residue is required to maintain the polymerase in an elongation-competent conformation, and smaller hydrophobic residues at position 5 progressively decrease the stability of elongation complexes and their processivity on genome-length templates. Consistent with this, the mutations also reduced viral RNA production in a cell-free replication system. In vivo, viruses containing residue 5 mutants produce viable virus, and an aromatic phenylalanine was maintained with only a slightly decreased virus growth rate. However, nonaromatic amino acids resulted in slow-growing viruses that reverted to wild type. The structural basis for this polymerase phenotype is yet to be determined, and we speculate that amino acid residue 5 interacts directly with template RNA or is involved in a protein structural interaction that stabilizes the elongation complex.

  18. A tool for calculating binding-site residues on proteins from PDB structures

    Directory of Open Access Journals (Sweden)

    Hu Jing

    2009-08-01

    Full Text Available Abstract Background In the research on protein functional sites, researchers often need to identify binding-site residues on a protein. A commonly used strategy is to find a complex structure from the Protein Data Bank (PDB that consists of the protein of interest and its interacting partner(s and calculate binding-site residues based on the complex structure. However, since a protein may participate in multiple interactions, the binding-site residues calculated based on one complex structure usually do not reveal all binding sites on a protein. Thus, this requires researchers to find all PDB complexes that contain the protein of interest and combine the binding-site information gleaned from them. This process is very time-consuming. Especially, combing binding-site information obtained from different PDB structures requires tedious work to align protein sequences. The process becomes overwhelmingly difficult when researchers have a large set of proteins to analyze, which is usually the case in practice. Results In this study, we have developed a tool for calculating binding-site residues on proteins, TCBRP http://yanbioinformatics.cs.usu.edu:8080/ppbindingsubmit. For an input protein, TCBRP can quickly find all binding-site residues on the protein by automatically combining the information obtained from all PDB structures that consist of the protein of interest. Additionally, TCBRP presents the binding-site residues in different categories according to the interaction type. TCBRP also allows researchers to set the definition of binding-site residues. Conclusion The developed tool is very useful for the research on protein binding site analysis and prediction.

  19. 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.

  20. Surgical treatment for residual or recurrent strabismus

    Directory of Open Access Journals (Sweden)

    Tao Wang

    2014-12-01

    Full Text Available Although the surgical treatment is a relatively effective and predictable method for correcting residual or recurrent strabismus, such as posterior fixation sutures, medial rectus marginal myotomy, unilateral or bilateral rectus re-recession and resection, unilateral lateral rectus recession and adjustable suture, no standard protocol is established for the surgical style. Different surgical approaches have been recommended for correcting residual or recurrent strabismus. The choice of the surgical procedure depends on the former operation pattern and the surgical dosages applied on the patients, residual or recurrent angle of deviation and the operator''s preference and experience. This review attempts to outline recent publications and current opinion in the management of residual or recurrent esotropia and exotropia.

  1. Earthworm tolerance to residual agricultural pesticide contamination

    DEFF Research Database (Denmark)

    Givaudan, Nicolas; Binet, Françoise; Le Bot, Barbara

    2014-01-01

    This study investigates if acclimatization to residual pesticide contamination in agricultural soils is reflected in detoxification, antioxidant enzyme activities and energy budget of earthworms. Five fields within a joint agricultural area exhibited different chemical and farming histories from...

  2. Cyolane residues in milk of lactating goats

    International Nuclear Information System (INIS)

    Zayed, S.M.A.D.; Osman, A.; Fakhr, I.M.I.

    1981-01-01

    Consecutive feeding of lactating goats with 14 C-alkyl labelled cyolane for 5 days at dietary levels 8 and 16 ppm resulted in the appearance of measurable insecticide residues in milk (0.02-0.04 mg/kg). The residue levels were markedly reduced after a withdrawal period of 7 days. Analysis of urine and milk residues showed the presence of similar metabolites in addition to the parent compound. The major part of the residue consisted of mono-, diethyl phosphate and 2 hydrophilic unknown metabolites. The erythrocyte cholinesterase activity was reduced to about 50% after 24 hours whereas the plasma enzyme was only slightly affected. The animals remained symptom-free during the experimental period. (author)

  3. On the residual properties of damaged FRC

    Science.gov (United States)

    Zerbino, R.; Torrijos, M. C.; Giaccio, G.

    2017-09-01

    A discussion on the residual behaviour of Fibre Reinforced Concrete (FRC) is performed based on two selected cases of concrete degradation: the exposure at High Temperatures and the development of Alkali Silica Reactions. In addition, and taking in mind that the failure mechanism in FRC is strongly related with the fibre pull-out strength, the bond strength in damaged matrices was shown concluding that the residual bond strength is less affected than the matrix strength. As the damage increases, the compressive strength and the modulus of elasticity decrease, being the modulus of elasticity the most affected. There were no significant changes produced by the incorporation of fibres on the residual behaviour when compared with previous experience on plain damage concrete. Regarding the tensile behaviour although the first peak decreases as the damage increases, even for a severely damage FRC the residual stresses remain almost unaffected.

  4. FINITE ELEMENT MODEL FOR PREDICTING RESIDUAL ...

    African Journals Online (AJOL)

    direction (σx) had a maximum value of 375MPa (tensile) and minimum value of ... These results shows that the residual stresses obtained by prediction from the finite element method are in fair agreement with the experimental results.

  5. 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

    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. To fully comprehend the diverse functions of a protein, it is essential to understand the functionality of individual residues. Current methods are highly dependent on evolutionary sequence conservation, which is

  6. Neutron diffraction residual strain / stress measurements

    International Nuclear Information System (INIS)

    Paradowska, Anna

    2012-01-01

    Residual stresses affect mechancial properties of materials and prodcuts, it is essential to estimate them practically in order to esatblish acceptable limits. Knowledge of the development of residual stresses in components at the various production stages- extrusion, rolling, machining, welding and heat treating-can be used to imporve product reliability and performance. This short article gives an example relevant to the power industry using ANSTO's 'Kowari' neutron strain scanner.

  7. Disposal of radioactive residuals requires careful planning

    International Nuclear Information System (INIS)

    Pontius, F.W.

    1994-01-01

    Radionuclides removed from source waters during water treatment become concentrated in residual liquids and sludges. Treatment technologies used to remove these contaminants from source waters may generate wastes that contain substantial radioactivity. Water systems that install one or more of these technologies in order to comply with the maximum contaminant levels (MCLs) eventually adopted must dispose of the residuals. Disposal of radionuclide-containing wastes can be especially difficult, depending on the nature and amount of radioactivity present

  8. Plutonium fuel fabrication residues and wastes

    International Nuclear Information System (INIS)

    Arnal, T.; Cousinou, G.; Desille, H.

    1982-04-01

    This paper discusses the current situation in the fabrication plant at Cadarache with an annual plutonium throughput of several tons. Three major fabrication byproduct categories are defined in this plant: 1) scraps, directly recycled at the fabrication input station; 2) residues, byproducts recycled by chemical processes, or processed in washing and incineration stations; 3) wastes, placed in drums and evacuated directly to a waste conditioning station. The borderline between residues and wastes has yet to be precisely determined

  9. Residual stress measurement at Budapest Neutron Center

    International Nuclear Information System (INIS)

    Gyula, T.

    2005-01-01

    The use of residual stress measurements of different construction element and recent possibilities of Budapest Neutron Centre are presented. The details investigated already: gas turbine wheel, axial compressor blade, turbine blade and plastically deformed stainless steel. We demonstrated the use of a neutron scattering (SANS, residual stress, diffraction) for the materials behavior investigation in order to analyze the processes going on under the different mechanical loading. The direction of possible instrumental development is presented. (author)

  10. 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.

  11. 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.

  12. Validation of welded joint residual stress simulation

    International Nuclear Information System (INIS)

    Computational mechanics is being increasingly applied to predict the state of residual stress in welded joints for nuclear power plant applications. Motives for undertaking such calculations include optimising the design of welded joints and weld procedures, assessing the effectiveness of mitigation processes, providing more realistic inputs to structural integrity assessments and underwriting safety cases for operating nuclear power plant. Fusion welding processes involve intense localised heating to melt the surfaces to be joined and introduction of molten weld filler metal. A complex residual stress field develops at the weld through solidification, differential thermal contraction, cyclic thermal plasticity, phase transformation and chemical diffusion processes. The calculation of weld residual stress involves detailed non-linear analyses where many assumptions and approximations have to be made. In consequence, the accuracy and reliability of solutions can be highly variable. This paper illustrates the degree of variability that can arise in weld residual stress simulation results and summarises the new R6 guidelines which aim to improve the reliability and accuracy of computational predictions. The requirements for validating weld simulations are reviewed where residual stresses are to be used in fracture mechanics analysis. This includes a discussion of how to obtain and interpret measurements from mock-ups, benchmark weldments and published data. Benchmark weldments are described that illustrate some of the issues and show how validation of numerical prediction of weld residual stress can be achieved. Finally, plans for developing the weld modelling guidelines and associated benchmarks are outlined

  13. Residual Stresses in Thermoplastic Composites: A Review

    Directory of Open Access Journals (Sweden)

    M.M. Shokrieh

    2008-12-01

    Full Text Available Applications of thermoplastic composites have developed extensively. The thermoplastic composites in comparison with the thermoset composites have many advantages. Thermoplastic composites can be melted and remolded many times. The duration of manufacturing process of these composites is short, producing very tough material, and the welding ability and multiple recyclings are their further advantages. The lack of knowledge in this group of composites is the main obstacle in their development. In this review the research works in the field of residual stresses in thermoplastic composites is presented. First, a literature survey on the available research on residual stresses on thermoplastics and thermoplastic composites reinforced with short fibers is compiled. Moreover a review on the available research on residual stresses on thermoplastic composites reinforced with long fibers is presented as well. The effects of the residual stresses on these composites are discussed. Experimental techniques for the measurement of residual stresses in thermoplastic composites and the methods for reducing the existing residual stresses are studied.

  14. 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.

  15. Residu Fungisida Tembaga (Cu pada Pucuk Teh

    Directory of Open Access Journals (Sweden)

    Christanti Sumardiyono

    1996-12-01

    Full Text Available The study was done to know copper residue on tea due to blister blight control by copper fungicides. The experiment was done at Pagilaran Tea Plantation, Batang, Pekalongan. Tea plants were sprayed 8 times, with 8 days interval at the dosages of 0. 75, 150, and 300 g/ha respectively. Shoot sample was taken at 8 and 16 days after spraying. The copper residue war analyzed by Atomic Adsorbtion Spectrophotometer at 324 nm. The result showed that the higher dosage of spraying gives higher copper residue. At the dosage of 300 g/ha was detected 23,52 ppm of copper residue at 8 days after spraying. The residue was reduced to 12,96 ppm at 16 days after spraying. At that dosage the blister blight disease intensity reduced by 59,97%. The detected residue of copper fungicides due to blister blight control is not higher than MRL ( 150 ppm.

  16. Method for residual household waste composition studies.

    Science.gov (United States)

    Sahimaa, Olli; Hupponen, Mari; Horttanainen, Mika; Sorvari, Jaana

    2015-12-01

    The rising awareness of decreasing natural resources has brought forward the idea of a circular economy and resource efficiency in Europe. As a part of this movement, European countries have identified the need to monitor residual waste flows in order to make recycling more efficient. In Finland, studies on the composition of residual household waste have mostly been conducted using different methods, which makes the comparison of the results difficult. The aim of this study was to develop a reliable method for residual household waste composition studies. First, a literature review on European study methods was performed. Also, 19 Finnish waste composition studies were compared in order to identify the shortcomings of the current Finnish residual household waste composition data. Moreover, the information needs of different waste management authorities concerning residual household waste were studied through a survey and personal interviews. Stratification, sampling, the classification of fractions and statistical analysis were identified as the key factors in a residual household waste composition study. The area studied should be divided into non-overlapping strata in order to decrease the heterogeneity of waste and enable comparisons between different waste producers. A minimum of six subsamples, each 100 kg, from each stratum should be sorted. Confidence intervals for each waste category should be determined in order to evaluate the applicability of the results. A new three-level classification system was created based on Finnish stakeholders' information needs and compared to four other European waste composition study classifications. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Detecting organic gunpowder residues from handgun use

    Science.gov (United States)

    MacCrehan, William A.; Ricketts, K. Michelle; Baltzersen, Richard A.; Rowe, Walter F.

    1999-02-01

    The gunpowder residues that remain after the use of handguns or improvised explosive devices pose a challenge for the forensic investigator. Can these residues be reliably linked to a specific gunpowder or ammunition? We investigated the possibility by recovering and measuring the composition of organic additives in smokeless powder and its post-firing residues. By determining gunpowder additives such as nitroglycerin, dinitrotoluene, ethyl- and methylcentralite, and diphenylamine, we hope to identify the type of gunpowder in the residues and perhaps to provide evidence of a match to a sample of unfired powder. The gunpowder additives were extracted using an automated technique, pressurized fluid extraction (PFE). The conditions for the quantitative extraction of the additives using neat and solvent-modified supercritical carbon dioxide were investigated. All of the major gunpowder additives can be determined with baseline resolution using capillary electrophoresis (CE) with a micellar agent and UV absorbance detection. A study of candidate internal standards for use in the CE method is also presented. The PFE/CE technique is used to evaluate a new residue sampling protocol--asking shooters to blow their noses. In addition, an initial investigation of the compositional differences among unfired and post-fired .22 handgun residues is presented.

  18. Sugarcane field residue and bagasse allelopathic impact on vegetable seed germination

    Science.gov (United States)

    The chemical interaction between plants, which is referred to as allelopathy, may result in the inhibition of plant growth and development. The objective of this research was to determine the allelopathic impact of sugarcane (Saccharum officinarum) var. ‘HoCP 96-540’ field residue and sugarcane baga...

  19. 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...

  20. 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.

  1. Kinesthetic Interaction

    DEFF Research Database (Denmark)

    Fogtmann, Maiken Hillerup; Fritsch, Jonas; Kortbek, Karen Johanne

    2008-01-01

    Within the Human-Computer Interaction community there is a growing interest in designing for the whole body in interaction design. The attempts aimed at addressing the body have very different outcomes spanning from theoretical arguments for understanding the body in the design process, to more...... practical examples of designing for bodily potential. This paper presents Kinesthetic Interaction as a unifying concept for describing the body in motion as a foundation for designing interactive systems. Based on the theoretical foundation for Kinesthetic Interaction, a conceptual framework is introduced...... to be utilized when analyzing existing designs, as well as developing designs exploring new ways of designing kinesthetic interactions....

  2. Sustainable System for Residual Hazards Management

    International Nuclear Information System (INIS)

    Kevin M. Kostelnik; James H. Clarke; Jerry L. Harbour

    2004-01-01

    Hazardous, radioactive and other toxic substances have routinely been generated and subsequently disposed of in the shallow subsurface throughout the world. Many of today's waste management techniques do not eliminate the problem, but rather only concentrate or contain the hazardous contaminants. Residual hazards result from the presence of hazardous and/or contaminated material that remains on-site following active operations or the completion of remedial actions. Residual hazards pose continued risk to humans and the environment and represent a significant and chronic problem that require continuous long-term management (i.e. >1000 years). To protect human health and safeguard the natural environment, a sustainable system is required for the proper management of residual hazards. A sustainable system for the management of residual hazards will require the integration of engineered, institutional and land-use controls to isolate residual contaminants and thus minimize the associated hazards. Engineered controls are physical modifications to the natural setting and ecosystem, including the site, facility, and/or the residual materials themselves, in order to reduce or eliminate the potential for exposure to contaminants of concern (COCs). Institutional controls are processes, instruments, and mechanisms designed to influence human behavior and activity. System failure can involve hazardous material escaping from the confinement because of system degradation (i.e., chronic or acute degradation) or by external intrusion of the biosphere into the contaminated material because of the loss of institutional control. An ongoing analysis of contemporary and historic sites suggests that the significance of the loss of institutional controls is a critical pathway because decisions made during the operations/remedial action phase, as well as decisions made throughout the residual hazards management period, are key to the long-term success of the prescribed system. In fact

  3. Interactive benchmarking

    DEFF Research Database (Denmark)

    Lawson, Lartey; Nielsen, Kurt

    2005-01-01

    We discuss individual learning by interactive benchmarking using stochastic frontier models. The interactions allow the user to tailor the performance evaluation to preferences and explore alternative improvement strategies by selecting and searching the different frontiers using directional...

  4. Weak interactions

    International Nuclear Information System (INIS)

    Chanda, R.

    1981-01-01

    The theoretical and experimental evidences to form a basis for Lagrangian Quantum field theory for Weak Interactions are discussed. In this context, gauge invariance aspects of such interactions are showed. (L.C.) [pt

  5. Residues in Na(+) channel D3-S6 segment modulate both batrachotoxin and local anesthetic affinities.

    Science.gov (United States)

    Wang, S Y; Nau, C; Wang, G K

    2000-09-01

    Batrachotoxin (BTX) alters the gating of voltage-gated Na(+) channels and causes these channels to open persistently, whereas local anesthetics (LAs) block Na(+) conductance. The BTX and LA receptors have been mapped to several common residues in D1-S6 and D4-S6 segments of the Na(+) channel alpha-subunit. We substituted individual residues with lysine in homologous segment D3-S6 of the rat muscle mu1 Na(+) channel from F1274 to N1281 to determine whether additional residues are involved in BTX and LA binding. Two mutant channels, mu1-S1276K and mu1-L1280K, when expressed in mammalian cells, become completely resistant to 5 microM BTX during repetitive pulses. The activation and/or fast inactivation gating of these mutants is substantially different from that of wild type. These mutants also display approximately 10-20-fold reduction in bupivacaine affinity toward their inactivated state but show only approximately twofold affinity changes toward their resting state. These results demonstrate that residues mu1-S1276 and mu1-L1280 in D3-S6 are critical for both BTX and LA binding interactions. We propose that LAs interact readily with these residues from D3-S6 along with those from D1-S6 and D4-S6 in close proximity when the Na(+) channel is in its inactivated state. Implications of this state-dependent binding model for the S6 alignment are discussed.

  6. 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

  7. Identification of key neoculin residues responsible for the binding and activation of the sweet taste receptor

    Science.gov (United States)

    Koizumi, Taichi; Terada, Tohru; Nakajima, Ken-ichiro; Kojima, Masaki; Koshiba, Seizo; Matsumura, Yoshitaka; Kaneda, Kohei; Asakura, Tomiko; Shimizu-Ibuka, Akiko; Abe, Keiko; Misaka, Takumi

    2015-01-01

    Neoculin (NCL) is a heterodimeric protein isolated from the edible fruit of Curculigo latifolia. It exerts a taste-modifying activity by converting sourness to sweetness. We previously demonstrated that NCL changes its action on the human sweet receptor hT1R2-hT1R3 from antagonism to agonism as the pH changes from neutral to acidic values, and that the histidine residues of NCL molecule play critical roles in this pH-dependent functional change. Here, we comprehensively screened key amino acid residues of NCL using nuclear magnetic resonance (NMR) spectroscopy and alanine scanning mutagenesis. We found that the mutations of Arg48, Tyr65, Val72 and Phe94 of NCL basic subunit increased or decreased both the antagonist and agonist activities. The mutations had only a slight effect on the pH-dependent functional change. These residues should determine the affinity of NCL for the receptor regardless of pH. Their locations were separated from the histidine residues responsible for the pH-dependent functional change in the tertiary structure. From these results, we concluded that NCL interacts with hT1R2-hT1R3 through a pH-independent affinity interface including the four residues and a pH-dependent activation interface including the histidine residues. Thus, the receptor activation is induced by local structural changes in the pH-dependent interface. PMID:26263392

  8. Application of minerals residues in the asphalt composition; Aplicacao de residuos minerais na composicao do asfalto

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, Roberto Carlos da C.; Seidl, Peter Rudolf [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Escola de Quimica; Correia, Julio Cesar Guedes [Centro de Tecnologia Mineral - CETEM, Rio de Janeiro, RJ (Brazil)

    2004-07-01

    The performance of asphalt pavements depends mainly on the properties of their constituents: mineral aggregates and asphalt cement. The mineral aggregate represents about 95% in weight of asphalt mixtures having a significant influence on the properties and performance of these mixtures. Asphalt cement (CAP) corresponds to the smaller fraction but it is mainly responsible for adsorption on the mineral aggregates. The objective of this study was to evaluate the interaction between different CAPs with residues from granite saw wills in place of mineral aggregates that run up costs with extraction and processing in asphalt production. This way asphalt production costs as well as the environmental problems that are caused by mineral residue are reduced. Five different asphalt cements, referred to as A, B, C, D and E, and a granite residue were used in this work. The results indicated that the residue strongly absorbs all the CAPs that were studied; particularly CAP A, which is considered the most adequate for the production of asphalt from this residue. Preliminary tests this indicate that asphalt production can use mineral residues instead of mineral aggregates in its composition. (author)

  9. Ferrochelatase from Rhodopseudomonas sphaeroides: substrate specificity and role of sulfhydryl and arginyl residues

    International Nuclear Information System (INIS)

    Dailey, H.A.; Fleming, J.E.; Harbin, B.M.

    1986-01-01

    Purified ferrochelatase from the bacterium Rhodopseudomonas sphaeroides was examined to determine the roles of cationic and sulfhydryl residues in substrate binding. Reaction of the enzyme sulfhydryl residues with N-ethylmaleimide or monobromobimane resulted in a rapid loss of enzyme activity. Ferrous iron, but not porphyrin substrate, had a protective effect against inactivation by these two reagents. Quantitation with 3 H-labeled N-ethylmaleimide revealed that inactivation required one to two sulfhydryl groups to be modified. Modification of arginyl residues with either 2,3-butanedione or camphorquinone 10-sulfonate resulted in a loss of ferrochelatase activity. A kinetic analysis of the modified enzyme showed that the K/sub m/ for ferrous iron was not altered but that the K/sub m/ for the prophyrin substrate was increased. These data suggested that arginyl residues may be involved in porphyrin binding, possibly via charge pair interactions between the arginyl residue and the anionic porphyrin propionate side chain. Modification of lysyl residues had no effect on enzyme activity. The authors also examined the ability of bacterial ferrochelatase to use various 2,4-disubstituted porphyrins as substrates. The authors found that 2,4-bis-acetal- and 2,4-disulfonate deuteroporphyrins were effective substrates for the purified bacterial enzyme and that N-methylprotoporphyrin was an effective inhibitor of the enzyme. Data for the ferrochelatase of R. sphaeroides are compared with previously published data for the eucaryotic enzyme

  10. New applications of partial residual methodology

    International Nuclear Information System (INIS)

    Uslu, V.R.

    1999-12-01

    The formulation of a problem of interest in the framework of a statistical analysis starts with collecting the data, choosing a model, making certain assumptions as described in the basic paradigm by Box (1980). This stage is is called model building. Then the estimation stage is in order by pretending as if the formulation of the problem was true to obtain estimates, to make tests and inferences. In the final stage, called diagnostic checking, checking of whether there are some disagreements between the data and the model fitted is done by using diagnostic measures and diagnostic plots. It is well known that statistical methods perform best under the condition that all assumptions related to the methods are satisfied. However it is true that having the ideal case in practice is very difficult. Diagnostics are therefore becoming important so are diagnostic plots because they provide a immediate assessment. Partial residual plots that are the main interest of the present study are playing the major role among the diagnostic plots in multiple regression analysis. In statistical literature it is admitted that partial residual plots are more useful than ordinary residual plots in detecting outliers, nonconstant variance, and especially discovering curvatures. In this study we consider the partial residual methodology in statistical methods rather than multiple regression. We have shown that for the same purpose as in the multiple regression the use of partial residual plots is possible particularly in autoregressive time series models, transfer function models, linear mixed models and ridge regression. (author)

  11. Crop Residue Biomass Effects on Agricultural Runoff

    Directory of Open Access Journals (Sweden)

    Damodhara R. Mailapalli

    2013-01-01

    Full Text Available High residue loads associated with conservation tillage and cover cropping may impede water flow in furrow irrigation and thus decrease the efficiency of water delivery and runoff water quality. In this study, the biomass residue effects on infiltration, runoff, and export of total suspended solids (TSS, dissolved organic carbon (DOC, sediment-associated carbon (TSS-C, and other undesirable constituents such as phosphate (soluble P, nitrate (, and ammonium ( in runoff water from a furrow-irrigated field were studied. Furrow irrigation experiments were conducted in 91 and 274 m long fields, in which the amount of residue in the furrows varied among four treatments. The biomass residue in the furrows increased infiltration, and this affected total load of DOC, TSS, and TSS-C. Net storage of DOC took place in the long but not in the short field because most of the applied water ran off in the short field. Increasing field length decreased TSS and TSS-C losses. Total load of , , and soluble P decreased with increasing distance from the inflow due to infiltration. The concentration and load of P increased with increasing residue biomass in furrows, but no particular trend was observed for and . Overall, the constituents in the runoff decreased with increasing surface cover and field length.

  12. Characterization of bound residues in plants

    International Nuclear Information System (INIS)

    Stratton, G.D. Jr.; Wheeler, W.B.

    1986-01-01

    The characterization of unextractable (or 'bound') pesticide residues in plants can be difficult owing to the insoluble nature of the pesticide-plant complex. An unextractable residue can be defined as material derived from the applied pesticide which remains in the plant matrix after exhaustive organic solvent extraction. Experiments with a variety of pesticide classes in plants indicate that the level of unextractable residue varies with the plant species, the pesticide and the exposure time of the plant to the pesticide. Methods used in attempts to release 'bound' residues from solvent-extracted plant tissues include acid hydrolyses, enzymatic treatments and techniques of high-temperature distillation. These methods solubilize or release varying amounts of unextractable material; the amounts depend on the pesticide and on the extent to which the plant fibre is degraded. In experiments using radiolabelled dieldrin (1, 2, 3, 4, 10, 10-hexachloro-6, 7-epoxy-1, 4, 4a, 5, 6, 7, 8, 8a-octahydro-exo-1, 4-endo-5,6-dimethanonaphthalene), carbofuran (2,3-dihydro-2, 2-dimethylbenzofuran-7-yl methylcarbamate) and permethrin ([3-phenoxybenzyl(+-)-3-(2, 2-dichlorovinyl)-2, 2-dimethylcyclopropanecarboxylate]) in radishes, portions of the unextractable material solubilized by the above methods were identified as parent compound and/or closely related metabolites. The bioavailability and toxicological significance of unextractable pesticide residues need to be evaluated. (author)

  13. Reclamation of plutonium from pyrochemical processing residues

    International Nuclear Information System (INIS)

    Gray, L.W.; Gray, J.H.; Holcomb, H.P.; Chostner, D.F.

    1987-04-01

    Savannah River Laboratory (SRL), Savannah River Plant (SRP), and Rocky Flats Plant (RFP) have jointly developed a process to recover plutonium from molten salt extraction residues. These NaCl, KCL, and MgCl 2 residues, which are generated in the pyrochemical extraction of 241 Am from aged plutonium metal, contain up to 25 wt % dissolved plutonium and up to 2 wt % americium. The overall objective was to develop a process to convert these residues to a pure plutonium metal product and discardable waste. To meet this objective a combination of pyrochemical and aqueous unit operations was used. The first step was to scrub the salt residue with a molten metal (aluminum and magnesium) to form a heterogeneous ''scrub alloy'' containing nominally 25 wt % plutonium. This unit operation, performed at RFP, effectively separated the actinides from the bulk of the chloride salts. After packaging in aluminum cans, the ''scrub alloy'' was then dissolved in a nitric acid - hydrofluoric acid - mercuric nitrate solution at SRP. Residual chloride was separated from the dissolver solution by precipitation with Hg 2 (NO 3 ) 2 followed by centrifuging. Plutonium was then separated from the aluminum, americium and magnesium using the Purex solvent extraction system. The 241 Am was diverted to the waste tank farm, but could be recovered if desired

  14. Methods of measuring residual stresses in components

    International Nuclear Information System (INIS)

    Rossini, N.S.; Dassisti, M.; Benyounis, K.Y.; Olabi, A.G.

    2012-01-01

    Highlights: ► Defining the different methods of measuring residual stresses in manufactured components. ► Comprehensive study on the hole drilling, neutron diffraction and other techniques. ► Evaluating advantage and disadvantage of each method. ► Advising the reader with the appropriate method to use. -- Abstract: Residual stresses occur in many manufactured structures and components. Large number of investigations have been carried out to study this phenomenon and its effect on the mechanical characteristics of these components. Over the years, different methods have been developed to measure residual stress for different types of components in order to obtain reliable assessment. The various specific methods have evolved over several decades and their practical applications have greatly benefited from the development of complementary technologies, notably in material cutting, full-field deformation measurement techniques, numerical methods and computing power. These complementary technologies have stimulated advances not only in measurement accuracy and reliability, but also in range of application; much greater detail in residual stresses measurement is now available. This paper aims to classify the different residual stresses measurement methods and to provide an overview of some of the recent advances in this area to help researchers on selecting their techniques among destructive, semi destructive and non-destructive techniques depends on their application and the availabilities of those techniques. For each method scope, physical limitation, advantages and disadvantages are summarized. In the end this paper indicates some promising directions for future developments.

  15. Rare Earth Element Phases in Bauxite Residue

    Directory of Open Access Journals (Sweden)

    Johannes Vind

    2018-02-01

    Full Text Available The purpose of present work was to provide mineralogical insight into the rare earth element (REE phases in bauxite residue to improve REE recovering technologies. Experimental work was performed by electron probe microanalysis with energy dispersive as well as wavelength dispersive spectroscopy and transmission electron microscopy. REEs are found as discrete mineral particles in bauxite residue. Their sizes range from <1 μm to about 40 μm. In bauxite residue, the most abundant REE bearing phases are light REE (LREE ferrotitanates that form a solid solution between the phases with major compositions (REE,Ca,Na(Ti,FeO3 and (Ca,Na(Ti,FeO3. These are secondary phases formed during the Bayer process by an in-situ transformation of the precursor bauxite LREE phases. Compared to natural systems, the indicated solid solution resembles loparite-perovskite series. LREE particles often have a calcium ferrotitanate shell surrounding them that probably hinders their solubility. Minor amount of LREE carbonate and phosphate minerals as well as manganese-associated LREE phases are also present in bauxite residue. Heavy REEs occur in the same form as in bauxites, namely as yttrium phosphates. These results show that the Bayer process has an impact on the initial REE mineralogy contained in bauxite. Bauxite residue as well as selected bauxites are potentially good sources of REEs.

  16. Mobility of organic carbon from incineration residues

    International Nuclear Information System (INIS)

    Ecke, Holger; Svensson, Malin

    2008-01-01

    Dissolved organic carbon (DOC) may affect the transport of pollutants from incineration residues when landfilled or used in geotechnical construction. The leaching of dissolved organic carbon (DOC) from municipal solid waste incineration (MSWI) bottom ash and air pollution control residue (APC) from the incineration of waste wood was investigated. Factors affecting the mobility of DOC were studied in a reduced 2 6-1 experimental design. Controlled factors were treatment with ultrasonic radiation, full carbonation (addition of CO 2 until the pH was stable for 2.5 h), liquid-to-solid (L/S) ratio, pH, leaching temperature and time. Full carbonation, pH and the L/S ratio were the main factors controlling the mobility of DOC in the bottom ash. Approximately 60 weight-% of the total organic carbon (TOC) in the bottom ash was available for leaching in aqueous solutions. The L/S ratio and pH mainly controlled the mobilization of DOC from the APC residue. About 93 weight-% of TOC in the APC residue was, however, not mobilized at all, which might be due to a high content of elemental carbon. Using the European standard EN 13 137 for determination of total organic carbon (TOC) in MSWI residues is inappropriate. The results might be biased due to elemental carbon. It is recommended to develop a TOC method distinguishing between organic and elemental carbon

  17. Quantifying the residual volume transport through a multiple-inlet system in response to wind forcing: The case of the western Dutch Wadden Sea

    NARCIS (Netherlands)

    Duran-Matute, M.; Gerkema, T.; Sassi, M.

    2016-01-01

    In multiple-inlet coastal systems like the western Dutch Wadden Sea, the tides (and their interaction with the bathymetry), the fresh water discharge, and the wind drive a residual flow through the system. In the current paper, we study the effect of the wind on the residual volume transport through

  18. 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...

  19. Geostatistical methods applied to field model residuals

    DEFF Research Database (Denmark)

    Maule, Fox; Mosegaard, K.; Olsen, Nils

    consists of measurement errors and unmodelled signal), and is typically assumed to be uncorrelated and Gaussian distributed. We have applied geostatistical methods to analyse the residuals of the Oersted(09d/04) field model [http://www.dsri.dk/Oersted/Field_models/IGRF_2005_candidates/], which is based......The geomagnetic field varies on a variety of time- and length scales, which are only rudimentary considered in most present field models. The part of the observed field that can not be explained by a given model, the model residuals, is often considered as an estimate of the data uncertainty (which...... on 5 years of Ørsted and CHAMP data, and includes secular variation and acceleration, as well as low-degree external (magnetospheric) and induced fields. The analysis is done in order to find the statistical behaviour of the space-time structure of the residuals, as a proxy for the data covariances...

  20. Residual strains in girth-welded linepipe

    International Nuclear Information System (INIS)

    MacEwen, S.R.; Holden, T.M.; Powell, B.M.; Lazor, R.B.

    1987-07-01

    High resolution neutron diffraction has been used to measure the axial residual strains in and adjacent to a multipass girth weld in a complete section of 914 mm (36 inches) diameter, 16 mm (5/8 inch) wall, linepipe. The experiments were carried out at the NRU reactor, Chalk River using the L3 triple-axis spectrometer. The through-wall distribution of axial residual strain was measured at 0, 4, 8, 20 and 50 mm from the weld centerline; the axial variation was determined 1, 5, 8, and 13 mm from the inside surface of the pipe wall. The results have been compared with strain gauge measurements on the weld surface and with through-wall residual stress distributions determined using the block-layering and removal technique

  1. Field Test Kit for Gun Residue Detection

    Energy Technology Data Exchange (ETDEWEB)

    WALKER, PAMELA K.; RODACY, PHILIP J.

    2002-01-01

    One of the major needs of the law enforcement field is a product that quickly, accurately, and inexpensively identifies whether a person has recently fired a gun--even if the suspect has attempted to wash the traces of gunpowder off. The Field Test Kit for Gunshot Residue Identification based on Sandia National Laboratories technology works with a wide variety of handguns and other weaponry using gunpowder. There are several organic chemicals in small arms propellants such as nitrocellulose, nitroglycerine, dinitrotoluene, and nitrites left behind after the firing of a gun that result from the incomplete combustion of the gunpowder. Sandia has developed a colorimetric shooter identification kit for in situ detection of gunshot residue (GSR) from a suspect. The test kit is the first of its kind and is small, inexpensive, and easily transported by individual law enforcement personnel requiring minimal training for effective use. It will provide immediate information identifying gunshot residue.

  2. Residual-strength determination in polymetric materials

    International Nuclear Information System (INIS)

    Christensen, R.M.

    1981-01-01

    Kinetic theory of crack growth is used to predict the residual strength of polymetric materials acted upon by a previous history. Specifically, the kinetic theory is used to characterize the state of growing damage that occurs under a constant-stress (load) state. The load is removed before failure under creep-rupture conditions, and the residual instantaneous strength is determined from the theory by taking account of the damage accumulation under the preceding constant-load history. The rate of change of residual strength is found to be strongest when the duration of the preceding load history is near the ultimate lifetime under that condition. Physical explanations for this effect are given, as are numerical examples. Also, the theoretical prediction is compared with experimental data

  3. Methyl bromide residues in fumigated cocoa beans

    International Nuclear Information System (INIS)

    Adomako, D.

    1975-01-01

    The 14 C activity in unroasted [ 14 C]-methyl bromide fumigated cocoa beans was used to study the fate and persistence of CH 3 Br in the stored beans. About 70% of the residues occurred in the shells. Unchanged CH 3 Br could not be detected, all the sorbed CH 3 Br having reacted with bean constituents apparently to form 14 C-methylated derivatives and inorganic bromide. No 14 C activity was found in the lipid fraction. Roasting decreased the bound (non-volatile) residues, with corresponding changes in the activities and amounts of free sugars, free and protein amino acids. Roasted nibs and shells showed a two-fold increase in the volatile fraction of the 14 C residue. This fraction may be related to the volatile aroma compounds formed by Maillard-type reactions. (author)

  4. Determination of Pesticide Residues in Cannabis Smoke

    Directory of Open Access Journals (Sweden)

    Nicholas Sullivan

    2013-01-01

    Full Text Available The present study was conducted in order to quantify to what extent cannabis consumers may be exposed to pesticide and other chemical residues through inhaled mainstream cannabis smoke. Three different smoking devices were evaluated in order to provide a generalized data set representative of pesticide exposures possible for medical cannabis users. Three different pesticides, bifenthrin, diazinon, and permethrin, along with the plant growth regulator paclobutrazol, which are readily available to cultivators in commercial products, were investigated in the experiment. Smoke generated from the smoking devices was condensed in tandem chilled gas traps and analyzed with gas chromatography-mass spectrometry (GC-MS. Recoveries of residues were as high as 69.5% depending on the device used and the component investigated, suggesting that the potential of pesticide and chemical residue exposures to cannabis users is substantial and may pose a significant toxicological threat in the absence of adequate regulatory frameworks.

  5. Bioenergy from agricultural residues in Ghana

    DEFF Research Database (Denmark)

    Thomsen, Sune Tjalfe

    and biomethane under Ghanaian conditions. Detailed characterisations of thirteen of the most common agricultural residues in Ghana are presented, enabling estimations of theoretical bioenergy potentials and identifying specific residues for future biorefinery applications. When aiming at residue-based ethanol...... to pursue increased implementation of anaerobic digestion in Ghana, as the first bioenergy option, since anaerobic digestion is more flexible than ethanol production with regard to both feedstock and scale of production. If possible, the available manure and municipal liquid waste should be utilised first....... A novel model for estimating BMP from compositional data of lignocellulosic biomasses is derived. The model is based on a statistical method not previously used in this area of research and the best prediction of BMP is: BMP = 347 xC+H+R – 438 xL + 63 DA , where xC+H+R is the combined content of cellulose...

  6. Aromatic Residues in the Fourth Transmembrane-Spanning Helix M4 Are Important for GABAρ Receptor Function.

    Science.gov (United States)

    Cory-Wright, James; Alqazzaz, Mona; Wroe, Francesca; Jeffreys, Jenny; Zhou, Lu; Lummis, Sarah C R

    2018-02-21

    GABAρ receptors are a subfamily of the GABA A receptor family of pentameric ligand-gated ion channels (pLGICs). Each of the five subunits has four transmembrane α-helices (M1-M4), with M4 most distant from the central pore. Aromatic residues in this M4 helix are important for receptor assembly in pLGICs and also may interact with adjacent lipids and/or residues in neighboring α-helices and the extracellular domain to modify or enable channel gating. This study examines the role of M4 receptor aromatic residues in the GABAρ receptor transmembrane domain using site-directed mutagenesis and subsequent expression in HEK293 cells, probing functional parameters using a fluorescent membrane-potential-sensitive dye. The data indicate that many of the aromatic residues in M4 play a role in receptor function, as substitution with other residues can ablate and/or modify functional parameters. Modeling showed that these residues likely interact with residues in the adjacent M1 and M3 α-helices and/or residues in the Cys-loop in the extracellular domain. We suggest that many of these aromatic interactions contribute to an "aromatic zipper", which allows interactions between M4 and the rest of the receptor that are essential for function. Thus, the data support other studies showing that M4 does not play a passive role in "protecting" the other transmembrane helices from the lipid bilayer but is actively involved in the function of the protein.

  7. 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...

  8. Effective inter-residue contact definitions for accurate protein fold recognition

    Directory of Open Access Journals (Sweden)

    Yuan Chao

    2012-11-01

    Full Text Available Abstract Background Effective encoding of residue contact information is crucial for protein structure prediction since it has a unique role to capture long-range residue interactions compared to other commonly used scoring terms. The residue contact information can be incorporated in structure prediction in several different ways: It can be incorporated as statistical potentials or it can be also used as constraints in ab initio structure prediction. To seek the most effective definition of residue contacts for template-based protein structure prediction, we evaluated 45 different contact definitions, varying bases of contacts and distance cutoffs, in terms of their ability to identify proteins of the same fold. Results We found that overall the residue contact pattern can distinguish protein folds best when contacts are defined for residue pairs whose Cβ atoms are at 7.0 Å or closer to each other. Lower fold recognition accuracy was observed when inaccurate threading alignments were used to identify common residue contacts between protein pairs. In the case of threading, alignment accuracy strongly influences the fraction of common contacts identified among proteins of the same fold, which eventually affects the fold recognition accuracy. The largest deterioration of the fold recognition was observed for β-class proteins when the threading methods were used because the average alignment accuracy was worst for this fold class. When results of fold recognition were examined for individual proteins, we found that the effective contact definition depends on the fold of the proteins. A larger distance cutoff is often advantageous for capturing spatial arrangement of the secondary structures which are not physically in contact. For capturing contacts between neighboring β strands, considering the distance between Cα atoms is better than the Cβ−based distance because the side-chain of interacting residues on β strands sometimes point to

  9. Numerical simulation of residual stresses at holes near edges and corners in tempered glass: A parametric study

    DEFF Research Database (Denmark)

    Pourmoghaddam, Navid; Nielsen, Jens Henrik; Schneider, Jens

    2016-01-01

    This work presents 3D results of the thermal tempering simulation by the Finite Element Method in order to calculate the residual stresses in the area of the holes near edges and corners of a tem-pered glass plate. A viscoelastic material behavior of the glass is considered for the tempering...... the influence of the hole and edge distances on the minimal residual compressive stress-es at holes after the tempering process. The residual stresses in the area of the holes are calculat-ed varying the following parameters: the hole diameter, the plate thickness and the interaction between holes and edges...

  10. 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...

  11. Feeding potential of summer grain crop residues for woolled sheep ...

    African Journals Online (AJOL)

    greater amounts than indicated in Table 2. Percentage utilization of residues. Using the values obtained from quadrat sampling of the residues before and after grazing, the percentage utilization of residue components could be estimated. The results are shown in Table 3. Table 3 Percentage utilization a of residues. Lupins.

  12. 40 CFR 180.176 - Mancozeb; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Mancozeb; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.176 Mancozeb; tolerances for residues. (a) General. Tolerances for residues of a fungicide which is a...

  13. 40 CFR 180.324 - Bromoxynil; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Bromoxynil; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.324 Bromoxynil; tolerances for residues. (a) General. (1) Tolerances are established for residues...

  14. 40 CFR 180.314 - Triallate; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Triallate; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.314 Triallate; tolerances for residues. (a) General. Tolerances are established for residues of...

  15. 40 CFR 180.210 - Bromacil; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Bromacil; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.210 Bromacil; tolerances for residues. (a) General. Tolerances are established for residues of the herbicide...

  16. 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... Management of residues. Transporters who generate residues from the storage or transport of used oil must manage the residues as specified in § 279.10(e). ...

  17. 40 CFR 180.298 - Methidathion; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Methidathion; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.298 Methidathion; tolerances for residues. (a) General. Tolerances are established for residues of...

  18. 40 CFR 180.299 - Dicrotophos; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Dicrotophos; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.299 Dicrotophos; tolerances for residues. (a) General. Tolerances are established for residues of...

  19. 40 CFR 180.227 - Dicamba; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Dicamba; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.227 Dicamba; tolerances for residues. (a) General. (1) Tolerances are established for the combined residues of...

  20. 40 CFR 180.209 - Terbacil; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Terbacil; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.209 Terbacil; tolerances for residues. (a) General. Tolerances are established for combined residues of the...

  1. 40 CFR 180.249 - Alachlor; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Alachlor; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.249 Alachlor; tolerances for residues. (a) General. Tolerances are established for combined residues of...

  2. 40 CFR 180.128 - Pyrethrins; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Pyrethrins; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.128 Pyrethrins; tolerances for residues. (a) General. (1) Tolerances for residues of the...

  3. 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... for Energy Recovery § 279.67 Management of residues. Burners who generate residues from the storage or burning of used oil must manage the residues as specified in § 279.10(e). ...

  4. 40 CFR 180.208 - Benfluralin; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Benfluralin; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.208 Benfluralin; tolerances for residues. (a) General. Tolerances are established for residues of...

  5. 40 CFR 180.178 - Ethoxyquin; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Ethoxyquin; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.178 Ethoxyquin; tolerances for residues. (a) General. A tolerance is established for residues of...

  6. 40 CFR 180.241 - Bensulide; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Bensulide; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.241 Bensulide; tolerances for residues. (a) General. Tolerances are established for the residues...

  7. 40 CFR 180.263 - Phosalone; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Phosalone; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.263 Phosalone; tolerances for residues. (a) General. Tolerances are established for residues of...

  8. 40 CFR 180.258 - Ametryn; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Ametryn; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.258 Ametryn; tolerances for residues. (a) General. Tolerances are established for residues of the desiccant...

  9. 40 CFR 180.213 - Simazine; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Simazine; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.213 Simazine; tolerances for residues. (a) General. Tolerances are established for the combined residues of the...

  10. 40 CFR 180.269 - Aldicarb; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Aldicarb; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.269 Aldicarb; tolerances for residues. (a) General. Tolerances are established for combined residues of the...

  11. 40 CFR 180.315 - Methamidophos; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Methamidophos; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.315 Methamidophos; tolerances for residues. (a) Tolerances are established for residues of the...

  12. 40 CFR 180.235 - Dichlorvos; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Dichlorvos; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.235 Dichlorvos; tolerances for residues. (a) General. (1) Tolerances for residues of the...

  13. 40 CFR 180.222 - Prometryn; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Prometryn; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.222 Prometryn; tolerances for residues. (a) General. Tolerances are established for residues of...

  14. 40 CFR 180.262 - Ethoprop; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Ethoprop; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.262 Ethoprop; tolerances for residues. (a) General. Tolerances are established for residues of the nematocide...

  15. 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... Management of residues. Owners and operators who generate residues from the storage, processing, or re-refining of used oil must manage the residues as specified in § 279.10(e). ...

  16. 40 CFR 180.198 - Trichlorfon; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Trichlorfon; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.198 Trichlorfon; tolerances for residues. (a) General. Tolerances are established for residues of...

  17. 40 CFR 180.304 - Oryzalin; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Oryzalin; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.304 Oryzalin; tolerances for residues. (a) General. Tolerances are established for residues of the herbicide...

  18. 40 CFR 180.169 - Carbaryl; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Carbaryl; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.169 Carbaryl; tolerances for residues. (a) General. (1) Tolerances are established for residues of the...

  19. 40 CFR 180.220 - Atrazine; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Atrazine; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.220 Atrazine; tolerances for residues. (a) General. Tolerances are established for the combined residues of the...

  20. 40 CFR 180.122 - Parathion; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Parathion; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.122 Parathion; tolerances for residues. (a) General. Tolerances are established for residues of...

  1. 40 CFR 180.200 - Dicloran; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Dicloran; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.200 Dicloran; tolerances for residues. (a) General. (1) Tolerances are established for residues of the...

  2. 40 CFR 180.133 - Lindane; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Lindane; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.133 Lindane; tolerances for residues. (a) General. Tolerances are established for residues of the insecticide...

  3. 40 CFR 180.328 - Napropamide; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Napropamide; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.328 Napropamide; tolerances for residues. (a) General. Tolerances are established for residues of...

  4. 40 CFR 180.132 - Thiram; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Thiram; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.132 Thiram; tolerances for residues. (a) General. Tolerances are established for residues of the fungicide...

  5. 40 CFR 180.243 - Propazine; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Propazine; tolerances for residues...) PESTICIDE PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.243 Propazine; tolerances for residues. Tolerances are established for negligible residues (N) of...

  6. 40 CFR 180.301 - Carboxin; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Carboxin; tolerances for residues. 180... PROGRAMS TOLERANCES AND EXEMPTIONS FOR PESTICIDE CHEMICAL RESIDUES IN FOOD Specific Tolerances § 180.301 Carboxin; tolerances for residues. (a) General. Tolerances are established for the combined residues of the...

  7. Model of the complex of Parathyroid hormone-2 receptor and Tuberoinfundibular peptide of 39 residues

    Directory of Open Access Journals (Sweden)

    Persson Bengt

    2010-10-01

    Full Text Available Abstract Background We aim to propose interactions between the parathyroid hormone-2 receptor (PTH2R and its ligand the tuberoinfundibular peptide of 39 residues (TIP39 by constructing a homology model of their complex. The two related peptides parathyroid hormone (PTH and parathyroid hormone related protein (PTHrP are compared with the complex to examine their interactions. Findings In the model, the hydrophobic N-terminus of TIP39 is buried in a hydrophobic part of the central cavity between helices 3 and 7. Comparison of the peptide sequences indicates that the main discriminator between the agonistic peptides TIP39 and PTH and the inactive PTHrP is a tryptophan-phenylalanine replacement. The model indicates that the smaller phenylalanine in PTHrP does not completely occupy the binding site of the larger tryptophan residue in the other peptides. As only TIP39 causes internalisation of the receptor and the primary difference being an aspartic acid in position 7 of TIP39 that interacts with histidine 396 in the receptor, versus isoleucine/histidine residues in the related hormones, this might be a trigger interaction for the events that cause internalisation. Conclusions A model is constructed for the complex and a trigger interaction for full agonistic activation between aspartic acid 7 of TIP39 and histidine 396 in the receptor is proposed.

  8. 51st North American Chemical Residue Workshop.

    Science.gov (United States)

    Yang, Paul; Martos, Perry; Barrett, Brad

    2015-06-03

    Manuscripts collected in this 51st North American Chemical Residue Workshop (NACRW) Symposium issue of the Journal of Agricultural and Food Chemistry (JAFC) were originally presented at the 51st NACRW meeting. The 2014 NACRW JAFC symposium collects 14 publications representing the broad range of topics in chemical analyses presented at the 2014 meeting. These include the analysis of chemical residues and contaminants in food, environment, feed, botanical, and bee samples as well as the application of quality control/quality assurance protocols in routine and method development.

  9. Residual generator for cardiovascular anomalies detection

    KAUST Repository

    Belkhatir, Zehor

    2014-06-01

    This paper discusses the possibility of using observer-based approaches for cardiovascular anomalies detection and isolation. We consider a lumped parameter model of the cardiovascular system that can be written in a form of nonlinear state-space representation. We show that residuals that are sensitive to variations in some cardiovascular parameters and to abnormal opening and closure of the valves, can be generated. Since the whole state is not easily available for measurement, we propose to associate the residual generator to a robust extended kalman filter. Numerical results performed on synthetic data are provided.

  10. Fate of leptophos residues in milk products

    International Nuclear Information System (INIS)

    Zayed, S.M.A.D.; Mohammed, S.I.

    1981-01-01

    The fate of leptophos residues in various milk products was studied using 14 C-phenyl labelled leptophos. Milk products were prepared from milk fortified with the radioactive insecticide by methods simulating those used in industry. The highest leptophos level was found in butter and the lowest in skim milk and whey. Analysis of the radioactive residues in all products showed the presence of leptophos alone. A trace of the oxon could be detected in whey. The results obtained in this investigation indicated that processing of milk did not affect the nature of leptophos to any appreciable extent. (author)

  11. Residual stress in Ni-W electrodeposits

    DEFF Research Database (Denmark)

    Mizushima, Io; Tang, Peter Torben; Hansen, Hans Nørgaard

    2006-01-01

    In the present work, the residual stress in Ni–W layers electrodeposited from electrolytes based on NiSO4 and Na2WO4, is investigated. Citrate, glycine and triethanolamine were used as complexing agents, enabling complex formation between the nickel ion and tungstate. The results show that the type...... of complexing agent and the current efficiency have an influence on the residual stress. In all cases, an increase in tensile stress in the deposit with time after deposition was observed. Pulse plating could improve the stress level for the electrolyte containing equal amounts of citrate...

  12. Fluidised-bed combustion of gasification residue

    Energy Technology Data Exchange (ETDEWEB)

    Korpela, T.; Kudjoi, A.; Hippinen, I.; Heinolainen, A.; Suominen, M.; Lu Yong [Helsinki Univ. of Technology (Finland). Lab of Energy Economics and Power Plant Engineering

    1996-12-01

    Partial gasification processes have been presented as possibilities for future power production. In the processes, the solid materials removed from a gasifier (i.e. fly ash and bed material) contain unburnt fuel and the fuel conversion is increased by burning this gasification residue either in an atmospheric or a pressurised fluidised-bed. In this project, which is a part of European JOULE 2 EXTENSION research programme, the main research objectives are the behaviour of calcium and sulphur compounds in solids and the emissions of sulphur dioxide and nitrogen oxides (NO{sub x} and N{sub 2}O) in pressurised fluidised-bed combustion of gasification residues. (author)

  13. Mechanically induced residual stresses: Modelling and characterisation

    Science.gov (United States)

    Stranart, Jean-Claude E.

    Accurate characterisation of residual stress represents a major challenge to the engineering community. This is because it is difficult to validate the measurement and the accuracy is doubtful. It is with this in mind that the current research program concerning the characterisation of mechanically induced residual stresses was undertaken. Specifically, the cold expansion of fastener holes and the shot peening treatment of aerospace alloys, aluminium 7075 and titanium Ti-6Al-4V, are considered. The objective of this study is to characterise residual stresses resulting from cold working using three powerful techniques. These are: (i) theoretical using three dimensional non-linear finite element modelling, (ii) semi-destructive using a modified incremental hole drilling technique and (iii) nondestructive using a newly developed guided wave method supplemented by traditional C-scan measurements. The three dimensional finite element results of both simultaneous and sequential cold expansion of two fastener holes revealed the importance of the separation distance, the expansion level and the loading history upon the development and growth of the plastic zone and unloading residual stresses. It further showed that the commonly adopted two dimensional finite element models are inaccurate and incapable of predicting these residual stresses. Similarly, the dynamic elasto-plastic finite element studies of shot peening showed that the depth of the compressed layer, surface and sub-surface residual stresses are significantly influenced by the shot characteristics. Furthermore, the results reveal that the separation distance between two simultaneously impacting shots governs the plastic zone development and its growth. In the semi-destructive incremental hole drilling technique, the accuracy of the newly developed calibration coefficients and measurement techniques were verified with a known stress field and the method was used to measure peening residual stresses. Unlike

  14. Some problems of residual activity measurements

    International Nuclear Information System (INIS)

    Katrik, P.; Mustafin, E.; Strasik, I.; Pavlovic, M.

    2013-01-01

    As a preparatory work for constructing the Facility for Antiproton and Ion Research (FAIR) at GSI Darmstadt, samples of copper were irradiated by 500 MeV/u 238 U ion beam and investigated by gamma-ray spectroscopy. The nuclides that contribute dominantly to the residual activity have been identified and their contributions have been quantified by two different methods: from the whole-target gamma spectra and by integration of depth-profiles of residual activity of individual nuclides. Results obtained by these two methods are compared and discussed in this paper. (authors)

  15. Residual water treatment for gamma radiation

    International Nuclear Information System (INIS)

    Mendez, L.

    1990-01-01

    The treatment of residual water by means of gamma radiation for its use in agricultural irrigation is evaluated. Measurements of physical, chemical, biological and microbiological contamination indicators were performed. For that, samples from the treatment center of residual water of San Juan de Miraflores were irradiated up to a 52.5 kGy dose. The study concludes that gamma radiation is effective to remove parasites and bacteria, but not for removal of the organic and inorganic matter. (author). 15 refs., 3 tabs., 4 figs

  16. Lindane residues in fish inhabiting Nigerian rivers

    International Nuclear Information System (INIS)

    Okereke, G.U.; Dje, Y.

    1997-01-01

    Analysis for residues of lindane in fish collected from various rivers close to rice agroecosystems showed that the concentrations of lindane ranged from none detectable to 3.4 mg kg -1 . Fish from rivers where strict regulations prohibits its use had no detectable lindane residues while appreciable amounts of lindane were found in fish were such restriction was not enforced with the variation attributed to the extent of use of lindane in the area of contamination. The investigation confirms that the use of lindane in rice production in Nigeria can cause the contamination of fish in nearby rivers. (author). 16 refs, 2 tab

  17. Residual radioactivity of treated green diamonds.

    Science.gov (United States)

    Cassette, Philippe; Notari, Franck; Lépy, Marie-Christine; Caplan, Candice; Pierre, Sylvie; Hainschwang, Thomas; Fritsch, Emmanuel

    2017-08-01

    Treated green diamonds can show residual radioactivity, generally due to immersion in radium salts. We report various activity measurements on two radioactive diamonds. The activity was characterized by alpha and gamma ray spectrometry, and the radon emanation was measured by alpha counting of a frozen source. Even when no residual radium contamination can be identified, measurable alpha and high-energy beta emissions could be detected. The potential health impact of radioactive diamonds and their status with regard to the regulatory policy for radioactive products are discussed. Copyright © 2017. Published by Elsevier Ltd.

  18. Evaluation of aggregate microstructures following natural regeneration in bauxite residue as characterized by synchrotron-based X-ray micro-computed tomography.

    Science.gov (United States)

    Zhu, Feng; Liao, Jiaxin; Xue, Shengguo; Hartley, William; Zou, Qi; Wu, Hao

    2016-12-15

    Bauxite residue often has poor physical conditions which impede plant growth. Native plant encroachment on a bauxite residue disposal area in Central China reveals that natural regeneration may improve its physicochemical properties. Residue samples collected from three different disposal ages were assessed to evaluate residue micromorphology and three-dimensional (3D) aggregate microstructure under natural regeneration. The residue aggregates in different disposal ages were divided in two sections: macro-aggregate (2-1mm) and micro-aggregate (0.25-0.05mm). Residue aggregate micromorphology was determined by scanning electron microscope and energy dispersive X-ray spectroscopy, and the residue aggregate microstructure was determined by synchrotron-based X-ray micro-computed tomography (SR-μCT) and image analysis techniques. Natural regeneration may improve residue aggregate stability and form a stable aggregate structure. Calcium content increased whilst sodium content decreased significantly on the surface of residue aggregates. Under natural soil-forming processes bauxite residue porosity, specific surface area, average length of paths, and average tortuosity of paths all significantly increased. This demonstrated that natural regeneration may stimulate the formation of stable aggregate structure in residues. Further understanding should focus on particle interaction forces and agglomeration mechanisms with the addition of external ameliorations. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. 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.

  20. Interactive lecturing.

    Science.gov (United States)

    White, Geoff

    2011-12-01

    Lectures can vary from being entirely teacher-centred through to those that value learner-teacher and learner-learner interaction. Advocates of the exclusively didactic (teacher-centred) lecture aim to maximise the amount of lecture time available to their delivery of content, and regard other activities as 'lost' lecture time. Educational research has, however, identified the potential benefit of interactivity that promotes mentally active learning and improved learning outcomes. This article reviews the notion of 'active learning', outlines how active learning is promoted by interactivity and concludes with strategies for including interactivity within lectures. Narrative review and discussion. The article begins with a summary of the purposes of lecturing, and the distinctions between mentally active and passive learning. The associations between interactivity, cognitively active learning and improved learning outcomes are considered, and strategies for promoting interactivity and active learning are explored. Three student-student interaction strategies are discussed, and an exemplar of each of these strategies in action is provided. The exemplar addresses the 'lost time' concern of some advocates of the exclusively didactic lecture. Interactivity can be readily introduced to lectures without a significant reduction in the amount of time available for didactic lecturing. This paper challenges the view that the inclusion of interactivity equates to a loss of learning time, by showing that students' achievement of learning outcomes is enhanced by planned and structured engagement with others. The paper concludes with an example of how interactivity can be incorporated within the traditional lecture format. © Blackwell Publishing Ltd 2011.

  1. A kinetic approach to evaluate salinity effects on carbon mineralization in a plant residue-amended soil*

    Science.gov (United States)

    Nourbakhsh, Farshid; Sheikh-Hosseini, Ahmad R.

    2006-01-01

    The interaction of salinity stress and plant residue quality on C mineralization kinetics in soil is not well understood. A laboratory experiment was conducted to study the effects of salinity stress on C mineralization kinetics in a soil amended with alfalfa, wheat and corn residues. A factorial combination of two salinity levels (0.97 and 18.2 dS/m) and four levels of plant residues (control, alfalfa, wheat and corn) with three replications was performed. A first order kinetic model was used to describe the C mineralization and to calculate the potentially mineralizable C. The CO2-C evolved under non-saline condition, ranged from 814.6 to 4842.4 mg CO2-C/kg in control and alfalfa residue-amended soils, respectively. Salinization reduced the rates of CO2 evolution by 18.7%, 6.2% and 5.2% in alfalfa, wheat and corn residue-amended soils, respectively. Potentially mineralizable C (C 0) was reduced significantly in salinized alfalfa residue-treated soils whereas, no significant difference was observed for control treatments as well as wheat and corn residue-treated soils. We concluded that the response pattern of C mineralization to salinity stress depended on the plant residue quality and duration of incubation. PMID:16972320

  2. Management of industrial solid residues; Gerenciamento de residuos solidos industriais

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    This chapter gives an overview on the management of industrial solid wastes, approaching the following subjects: classification of industrial solid residues; directives and methodologies for the management of industrial solid residues; instruments for the management of industrial solid residues; handling, packing, storage and transportation; treatment of industrial solid residues; final disposal - landfill for industrial residues; the problem of treatment and final disposer of domestic garbage in Brazil; recycling of the lubricant oils used in brazil; legislation.

  3. Risk-Based Approach to Developing National Residue Sampling Plan

    OpenAIRE

    Scientific Committee of the Food Safety Authority of Ireland

    2014-01-01

    A ranking system for veterinary medicinal products and medicated feed additives has been developed as a tool to be applied in a risk-based approach to the residue testing programme for foods of animal origin in the National Residue Control Plan. In the context of food sampling and residue testing for the National Residue Control Plan, there is firstly, the risk to human health from residues of chemical substances in food and secondly, the issue of non-compliance with regulations relating ...

  4. Weak interactions

    International Nuclear Information System (INIS)

    Ogava, S.; Savada, S.; Nakagava, M.

    1983-01-01

    The problem of the use of weak interaction laws to study models of elementary particles is discussed. The most typical examples of weak interaction is beta-decay of nucleons and muons. Beta-interaction is presented by quark currents in the form of universal interaction of the V-A type. Universality of weak interactions is well confirmed using as examples e- and μ-channels of pion decay. Hypothesis on partial preservation of axial current is applicable to the analysis of processes with pion participation. In the framework of the model with four flavours lepton decays of hadrons are considered. Weak interaction without lepton participation are also considered. Properties of neutral currents are described briefly

  5. 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

  6. Explicit Interaction

    DEFF Research Database (Denmark)

    Löwgren, Jonas; Eriksen, Mette Agger; Linde, Per

    2006-01-01

    We report an ongoing study of palpable computing to support surgical rehabilitation, in the general field of interaction design for ubiquitous computing. Through explorative design, fieldwork and participatory design techniques, we explore the design principle of explicit interaction...... as an interpretation of palpability, comprising usability as well as patient empowerment and socially performative issues. We present a prototype environment for video recording during physiotherapeutical consultation which illustrates our current thoughts on explicit interaction and serves as material for further...

  7. Floor interaction

    DEFF Research Database (Denmark)

    Petersen, Marianne Graves; Krogh, Peter; Ludvigsen, Martin

    2005-01-01

    Within architecture, there is a long tradition of careful design of floors. The design has been concerned with both decorating floors and designing floors to carry information. Ubiquitous computing technology offers new opportunities for designing interactive floors. This paper presents three...... different interactive floor concepts. Through an urban perspective it draws upon the experiences of floors in architecture, and provides a set of design issues for designing interactive floors....

  8. Interactive Timetabling

    OpenAIRE

    Muller, Tomas; Bartak, Roman

    2001-01-01

    Timetabling is a typical application of constraint programming whose task is to allocate activities to slots in available resources respecting various constraints like precedence and capacity. In this paper we present a basic concept, a constraint model, and the solving algorithms for interactive timetabling. Interactive timetabling combines automated timetabling (the machine allocates the activities) with user interaction (the user can interfere with the process of timetabling). Because the ...

  9. Residual Momentum and Reversal Strategies Revisited

    NARCIS (Netherlands)

    J.J. Huij (Joop); S.D. Lansdorp (Simon)

    2017-01-01

    textabstractIn this note we revisit the 2011 and 2013 papers of Blitz, Huij, and Martens (BHM2011), and Blitz, Huij, Lansdorp, and Verbeek (BHLV2013) in which momentum and reversal strategies on residual returns are proposed. Our results indicate that the main findings of these studies, that

  10. Recovery of silver residues from dental amalgam.

    Science.gov (United States)

    Pereira, Heloísa Aparecida Barbosa da Silva; Iano, Flávia Godoy; da Silva, Thelma Lopes; de Oliveira, Rodrigo Cardoso; de Menezes, Manoel Lima; Buzalaf, Marília Afonso Rabelo

    2010-01-01

    Dental amalgam residues are probably the most important chemical residues generated from clinical dental practice because of the presence of heavy metals among its constituents, mainly mercury and silver. The purpose of this study was to develop an alternative method for the recovery of silver residues from dental amalgam. The residue generated after vacuum distillation of dental amalgam for the separation of mercury was initially diluted with 32.5% HNO3, followed by precipitation with 20% NaCl. Sequentially, under constant heating and agitation with NaOH and sucrose, the sample was reduced to metallic silver. However, the processing time was too long, which turned this procedure not viable. In another sequence of experiments, the dilution was accomplished with concentrated HNO3 at 90 degrees C, followed by precipitation with 20% NaCl. After washing, the pellet was diluted with concentrated NH4OH, water and more NaCl in order to facilitate the reaction with the reducer. Ascorbic acid was efficiently used as reducer, allowing a fast reduction, thus making the procedure viable. The proposed methodology is of easy application and does not require sophisticated equipment or expensive reagents.

  11. Recovery of silver residues from dental amalgam

    Directory of Open Access Journals (Sweden)

    Heloísa Aparecida Barbosa da Silva Pereira

    2010-04-01

    Full Text Available Dental amalgam residues are probably the most important chemical residues generated from clinical dental practice because of the presence of heavy metals among its constituents, mainly mercury and silver. OBJECTIVE: The purpose of this study was to develop an alternative method for the recovery of silver residues from dental amalgam. MATERIAL AND METHODS: The residue generated after vacuum distillation of dental amalgam for the separation of mercury was initially diluted with 32.5% HNO3, followed by precipitation with 20% NaCl. Sequentially, under constant heating and agitation with NaOH and sucrose, the sample was reduced to metallic silver. However, the processing time was too long, which turned this procedure not viable. In another sequence of experiments, the dilution was accomplished with concentrated HNO3 at 90ºC, followed by precipitation with 20% NaCl. After washing, the pellet was diluted with concentrated NH4OH, water and more NaCl in order to facilitate the reaction with the reducer. RESULTS: Ascorbic acid was efficiently used as reducer, allowing a fast reduction, thus making the procedure viable. CONCLUSIONS: The proposed methodology is of easy application and does not require sophisticated equipment or expensive reagents.

  12. Agrochemicals and Residues Newsletter. No. 6

    International Nuclear Information System (INIS)

    1991-09-01

    This newsletter provides very brief summaries of the current coordinated research programs and of the completed coordinated research program on the study of the biological activity and bioavailability of bound pesticide residues using nuclear techniques (a more complete report will be published in the IAEA Panel Proceedings series). Research in progress at the Agrochemicals Unit of the IAEA Laboratory in Seibersdorf is also described

  13. The measurement of residual stresses in claddings

    International Nuclear Information System (INIS)

    Hofer, G.; Bender, N.

    1978-01-01

    The ring core method, a variation of the hole drilling method for the measurement of biaxial residual stresses, has been extended to measure stresses from depths of about 5 to 25mm. It is now possible to measure the stress profiles of clad material. Examples of measured stress profiles are shown and compared with those obtained with a sectioning technique. (author)

  14. EFFECTS OF MUCUNA ( MUCUNA UTILIS L.) RESIDUE ...

    African Journals Online (AJOL)

    The field experiment was conducted at two locations: University of Agriculture, Abeokuta (UNAAB) and Olowo-Papa (OP) in Ogun state both in Forest-savannah transition zone of Nigeria to investigate the response of three upland rice cultivars (O.sativa) to mucuna residue incorporation and Nitrogen (N) fertilizer and the ...

  15. Preliminary characterization of residual biomass from Hibiscus ...

    African Journals Online (AJOL)

    Hibiscus sabdariffa calyces are mainly used for different agro-food and beverages applications. The residual biomass generated contains various useful substances that were extracted and characterized. It contained 23% (w/w) soluble pectic material, a food additive, extracted with hot acidified water (80°C, pH = 1.5) and ...

  16. Formulation of morning product using food residues

    Directory of Open Access Journals (Sweden)

    Maria do Rosário de Fátima Padilha

    2017-09-01

    Full Text Available In Brazil, there is resistance of the population to the use of stalks, leaves, peels and seeds of vegetables and fruits, leading to trash important parts of the food in good physiological conditions and with the presence of potential nutrients. In this research, a morning product was elaborated using green and dry coconut residue, jerimum and melon seed, crystallized sicilian lemon peel, cashew nut, common rapadura sweet and ginger. The bacteriological tests proved the hygienic-sanitary quality of the product, therefore suitable for consumption, that is, according to RDC 12/2001. It was also observed that the dehydration of all the residues reached the legal levels and accepted by ANVISA that limits in 25% the water content in the dehydrated foods. As for the centesimal composition, it was observed that the elaborated product with residues and other ingredients had a good content of macro nutrients. A use of the type of waste as a new food proposal constitutes an alternative to avoid and reduce: the serious environmental problem caused by the large residual volume generated, and the inadequate places in which they are stored or deposited, aggravating the scenario of food-borne pollutants.

  17. QA/QC in pesticide residue analysis

    International Nuclear Information System (INIS)

    Ambrus, A.

    2002-01-01

    This paper outlines problems related to pesticide residue analysis in a regulatory laboratory that are related to: availability of reference materials, as over 1000 pesticide active ingredients are currently in use and over 400 crops represent a large part of a healthy diet; analysis time; availability of samples in sufficient numbers; uncertainties of the procedures

  18. Regulatory framework for NORM residues in Belgium

    Energy Technology Data Exchange (ETDEWEB)

    Pepin, S.; Dehandschutter, B.; Poffijn, A.; Sonck, M. [Federal Agency for Nuclear Control (FANC), Rue Ravenstein 36, 1000 Brussels (Belgium)

    2013-07-01

    The Belgian radiation protection authority (Federal Agency for Nuclear Control - FANC) has published in March 2013 a decree regulating the acceptance of NORM residues by nonradioactive waste treatment facilities. This regulation is based on the concept of 'work activities involving natural radiation sources' in the sense of article 40 of the 96/29/EURATOM directive. The disposal or processing facilities which accept NORM residues with an activity concentration above a generic exemption level will be considered as 'work activities' and submitted to declaration according to the Belgian radiation protection regulations. On basis of this declaration, specific acceptance criteria for the different types of processing/ disposal of the residues (disposal on landfill, recycling into building materials, etc.) are imposed. FANC has drafted guidelines for these acceptance criteria. A methodological guide for the operators of the concerned facilities was also published. Moreover, sites where significant quantities of NORM residues are or have been disposed, are subjected to an environmental monitoring in the framework of the national program of radiological surveillance of FANC. FANC also introduced in its regulations the concept of anthropogenic radon-prone areas: e.g. former phosphogypsum stacks have been defined as anthropogenic radon-prone areas, which allows some form of regulatory control of these sites. (authors)

  19. Untreated Hemangiomas : Growth Pattern and Residual Lesions

    NARCIS (Netherlands)

    Bauland, Constantijn G.; Luning, Thomas H.; Smit, Jeroen M.; Zeebregts, Clark J.; Spauwen, Paul H. M.

    Background: Hemangiomas of infancy can give rise to alarm because of their rapid growth and occasional dramatic appearance. The objective of this study was to investigate the growth pattern of hemangiomas and risk factors for residual lesions. Methods: A follow-up study was performed of patients

  20. Corn residue removal and CO2 emissions

    Science.gov (United States)

    Carbon dioxide (CO2), nitrous oxide (N2O), and methane (CH4) are the primary greenhouse gases (GHG) emitted from the soil due to agricultural activities. In the short-term, increases in CO2 emissions indicate increased soil microbial activity. Soil micro-organisms decompose crop residues and release...

  1. Transportation of vitrified residues towards Switzerland

    International Nuclear Information System (INIS)

    2002-01-01

    This document presents the swiss policy concerning the spent fuel management and the participation of COGEMA to the spent fuel processing. In this framework the swiss spent fuel processing at COGEMA La Hague, the transports safety and management, the regulatory framework applied to the transports, the quality and safety control and the ultimate residues storage are presented. (A.L.B.)

  2. RESIDU management in spruiten 2009 : eindrapportage

    NARCIS (Netherlands)

    Mooijaart, A.; Oers, van C.; Vlaswinkel, M.E.T.

    2009-01-01

    Een aantal afzetkanalen, supermarkten stelt sinds een aantal jaren bovenwettelijke eisen mbt residu in spruiten. Om te onderzoeken of door een betere keuze van middelen het mogelijk was om aan deze eis te voldoend is er in 2008 een blokkenproef aangelegd op PPO locatie Westmaas. De resultaten van

  3. Residual stresses in cold drawn ferritic rods

    International Nuclear Information System (INIS)

    Atienza, J.M.; Martinez-Perez, M.L.; Ruiz-Hervias, J.; Mompean, F.; Garcia-Hernandez, M.; Elices, M.

    2005-01-01

    The residual stress state generated by cold-drawing in a ferritic steel rod has been determined. Stress profiles in the three principal directions were measured by neutron and X-ray diffraction and calculated by 3D finite element simulation. The agreement between the simulations and the experimental data is excellent

  4. Residual strength evaluation of concrete structural components ...

    Indian Academy of Sciences (India)

    to failure. It is of interest to characterize the material behaviour subjected to such loading and study the crack propagation, remaining life and residual strength resulting from such loading. The current approaches used to evaluate fatigue performance of concrete members are mainly empirical. Fatigue equations based on ...

  5. Contaminant transport at a waste residue deposit

    DEFF Research Database (Denmark)

    Engesgaard, Peter Knudegaard; Traberg, Rikke

    1996-01-01

    Contaminant transport in an aquifer at an incinerator waste residue deposit in Denmark is simulated. A two-dimensional, geochemical transport code is developed for this purpose and tested by comparison to results from another code, The code is applied to a column experiment and to the field site...

  6. The Finite Embeddability Property for Residuated Groupoids

    Czech Academy of Sciences Publication Activity Database

    Haniková, Zuzana; Horčík, Rostislav

    2014-01-01

    Roč. 72, č. 1 (2014), s. 1-13 ISSN 0002-5240 R&D Projects: GA ČR GAP202/11/1632 Institutional support: RVO:67985807 Keywords : residuated groupoid * distributive lattice * finite embeddability property Subject RIV: BA - General Mathematics Impact factor: 0.442, year: 2014

  7. Minimal Varieties of Representable Commutative Residuated Lattices

    Czech Academy of Sciences Publication Activity Database

    Horčík, Rostislav

    2012-01-01

    Roč. 100, č. 6 (2012), s. 1063-1078 ISSN 0039-3215 R&D Projects: GA ČR GAP202/10/1826 Institutional research plan: CEZ:AV0Z10300504 Keywords : commutative residuated lattice * subvariety lattice * minimal variety * substructural logic * maximally consistent logic Subject RIV: BA - General Mathematics Impact factor: 0.342, year: 2012

  8. Recent advances in residual stress measurement

    International Nuclear Information System (INIS)

    Withers, P.J.; Turski, M.; Edwards, L.; Bouchard, P.J.; Buttle, D.J.

    2008-01-01

    Until recently residual stresses have been included in structural integrity assessments of nuclear pressure vessels and piping in a very primitive manner due to the lack of reliable residual stress measurement or prediction tools. This situation is changing the capabilities of newly emerging destructive (i.e. the contour method) and non-destructive (i.e. magnetic and high-energy synchrotron X-ray strain mapping) residual stress measurement techniques for evaluating ferritic and austenitic pressure vessel components are contrasted against more well-established methods. These new approaches offer the potential for obtaining area maps of residual stress or strain in welded plants, mock-up components or generic test-pieces. The mapped field may be used directly in structural integrity calculations, or indirectly to validate finite element process/structural models on which safety cases for pressurised nuclear systems are founded. These measurement methods are complementary in terms of application to actual plant, cost effectiveness and measurements in thick sections. In each case an exemplar case study is used to illustrate the method and to highlight its particular capabilities

  9. Residual strength evaluation of concrete structural components ...

    Indian Academy of Sciences (India)

    This paper presents methodologies for residual strength evaluation of concrete structural components using linear elastic and nonlinear fracture mechanics principles. The effect of cohesive forces due to aggregate bridging has been represented mathematically by employing tension softening models. Various tension ...

  10. Valorization of Furfural Residue by Hydrothermal Carbonization

    DEFF Research Database (Denmark)

    Yue, Fen; Zhang, Jia; Pedersen, Christian Marcus

    2017-01-01

    Furfural residue (FR) is a low-cost by-product generated in the furfural production from corncobs, which is mainly composed of cellulose and lignin. In this report, hydrothermal carbonization (HTC) of deashed FR was conducted at various reaction temperatures (200, 220 and 240 °C) and reaction tim...

  11. Thermal Adsorption Processing Of Hydrocarbon Residues

    Directory of Open Access Journals (Sweden)

    Sudad H. Al.

    2017-04-01

    Full Text Available The raw materials of secondary catalytic processes must be pre-refined. Among these refining processes are the deasphalting and demetallization including their thermo adsorption or thermo-contact adsorption variety. In oil processing four main processes of thermo-adsorption refining of hydrocarbon residues are used ART Asphalt Residual Treating - residues deasphaltizing 3D Discriminatory Destructive Distillation developed in the US ACT Adsorption-Contact Treatment and ETCC Express Thermo-Contact Cracking developed in Russia. ART and ACT are processes with absorbers of lift type reactor while 3D and ETCC processes are with an adsorbing reactor having ultra-short contact time of the raw material with the adsorbent. In all these processes refining of hydrocarbon residues is achieved by partial Thermo-destructive transformations of hydrocarbons and hetero-atomic compounds with simultaneous adsorption of the formed on the surface of the adsorbents resins asphaltene and carboids as well as metal- sulphur - and nitro-organic compounds. Demetallized and deasphalted light and heavy gas oils or their mixtures are a quality raw material for secondary deepening refining processes catalytic and hydrogenation cracking etc. since they are characterized by low coking ability and low content of organometallic compounds that lead to irreversible deactivation of the catalysts of these deepening processes.

  12. Chlorinated pesticide residues in marine sediments

    Digital Repository Service at National Institute of Oceanography (India)

    Sarkar, A.; SenGupta, R.

    of pesticide in contaminated river water into the Bay of Bengal. Con centration ranges of all these pesticide residues detected were, aldrine: 0.02-0.53, gamma BHC: 0.01-0.21, dieldrine: 0.05-0.51, and total DDT: 0.02-0.78, all in mu g g sup(-1) (wet wt)....

  13. Residual thermal stresses in injection moulded products

    NARCIS (Netherlands)

    Zoetelief, W.F.; Douven, L.F.A.; Ingen Housz, A.J.; Ingen housz, A.J.

    1996-01-01

    Nonisothermal flow of a polymer melt in a cold mold cavity introduces stresses that are partly frozen-in during solidification. Flow-induced stresses cause anisotropy of mechanical, thermal, and optical properties, while the residual thermal stresses induce warpage and stress-cracking. In this

  14. Spatial resolution enhancement residual coding using hybrid ...

    Indian Academy of Sciences (India)

    tecture. The first stage makes use of a pre-trained dictionary to get a sparse representation of the residuals. .... developed by BBC and aimed at a royalty-free, open technology (Dirac video codec [online]. http://diracvideo.org/. ... quantization and context adaptive arithmetic coding (Dirac specification version 2.2.3 [online].

  15. Projections and residues on manifolds with boundary

    DEFF Research Database (Denmark)

    Gaarde, Anders Borg

    2008-01-01

    It is a well-known result that the noncommutative residue of a pseudodifferential projection is zero on a compact manifold without boundary. Equivalently, the value of the zeta-function of P at zero, ¿¿(P, 0), is independent of ¿ for any elliptic operator P. Here ¿ denotes the angle of a ray where...... the resolvent of P has minimal growth. In this thesis, we consider the analogous questions on a compact manifold with boundary. We show that the noncommutative residue is zero for any projection in Boutet de Monvel’s calculus of pseudodifferential boundary problems. For an elliptic boundary problem {P+ + G, T...... }, with the corresponding realization B = (P + G)T, we de¿ne the sectorial projection ¿¿,¿(B) and the residue of this projection. We discuss whether this residue is always zero, through various analyses of the structure of the pro jection. The question is interesting since ¿¿(B, 0) is independent of ¿ exactly when...

  16. Satellite Magnetic Residuals Investigated With Geostatistical Methods

    DEFF Research Database (Denmark)

    Fox Maule, Chaterine; Mosegaard, Klaus; Olsen, Nils

    2005-01-01

    The geomagnetic field varies on a variety of time- and length scales, which are only rudimentarily considered in most present field models. The part of the observed field that cannot be explained by a given model, the model residuals, is often considered as an estimate of the data uncertainty (wh...

  17. Fungicide and insecticide residues in rice grains

    Directory of Open Access Journals (Sweden)

    Gustavo Mack Teló

    2017-01-01

    Full Text Available The objective of this study was to analyse residues of fungicides and insecticides in rice grains that were subjected to different forms of processing. Field work was conducted during three crop seasons, and fungicides and insecticides were applied at different crop growth stages on the aerial portion of the rice plants. Azoxystrobin, difenoconazole, propiconazole, tebuconazole, and trifloxystrobin fungicides were sprayed only once at the R2 growth stage or twice at the R2 and R4 growth stages; cypermethrin, lambda-cyhalothrin, permethrin, and thiamethoxam insecticides were sprayed at the R2 growth stage; and permethrin was sprayed at 5-day intervals from the R4 growth stage up to one day prior to harvest. Pesticide residues were analysed in uncooked, cooked, parboiled, polished and brown rice grains as well as rice hulls during the three crop seasons, for a total of 1458 samples. The samples were analysed by gas chromatography with electron capture detection (GC-ECD using modified QuEChERS as the extraction method. No fungicide or insecticide residues were detected in rice grain samples; however, azoxystrobin and cypermethrin residues were detected in rice hull samples.

  18. Playful Interaction

    DEFF Research Database (Denmark)

    2003-01-01

    The video Playful Interaction describes a future architectural office, and envisions ideas and concepts for playful interactions between people, materials and appliances in a pervasive and augmented working environment. The video both describes existing developments, technologies and designs...... as well as ideas not yet implemented such as playful modes of interaction with an augmented ball. Playful Interaction has been used as a hybrid of a vision video and a video prototype (1). Externally the video has been used to visualising our new ideas, and internally the video has also worked to inspire...

  19. Sugarcane rice residue biochars and their applications

    Science.gov (United States)

    Wang, J. J.

    2014-12-01

    Sugarcane production in U.S. involves either pre-harvest burning or after-harvest burning of the residue. Approximately 70-90% of the dry matter of harvested sugarcane trash is lost through open field burning. This practice has caused considerable concerns over air quality and soil sustainability. We propose an alternative conservation approach to convert the sugarcane residue to biochar and used as soil amendment to conserve carbon and potentially improve soil fertility. In this study, fundamental properties of biochars made from sugarcane residue along with rice residues were tested for agronomic and environmental benefits. Sugarcane and rice harvest residues and milling processing byproducts bagasse and rice husk were converted to biochars at different pyrolysis temperatures and characterized. In general, sugarcane leave biochar contained more P, K, Ca and Mg than sugarcane bagasse biochar. Rice straw biochar had more S, K Ca but less P than rice husk biochar. Both biochars had higher available fraction of total P than that of total K. Sugarcane leave biochar converted at 450oC was dominated with various lignin derived phenols as well as non-specific aromatic compounds whereas bagasse biochar was with both lignin derived phenol and poly aromatic hydrocarbon (PAH). Rice straw char was dominated with non-specific aromatic compounds. At 750oC, charred material was dominated with aromatic ethers while losing the aromatic C=C structures. These molecular and surface property differences likely contributed to the difference in water holding capacities observed with these biochars. On the other hand, rice straw biochars produced at different pyrolysis temperatures had no significant effect on rice germination. Soils treated with sugarcane leave/trash biochar significantly enhanced sugarcane growth especially the root length. Treating soil with either sugarcane leave or bagasse char also enhanced soil adsorption capacity of atrazine; a common herbicide used in sugarcane

  20. Antibiotic Residues - A Global Health Hazard

    Directory of Open Access Journals (Sweden)

    Nisha A.R.

    Full Text Available Use of Antibiotic that might result in deposition of residues in meat, milk and eggs must not be permitted in food intended for human consumption. If use of antibiotics is necessary as in prevention and treatment of animal diseases, a withholding period must be observed until the residues are negligible or no longer detected. The use of antibiotics to bring about improved performance in growth and feed efficiency, to synchronize or control of reproductive cycle and breeding performance also often lead to harmful residual effects. Concern over antibiotic residues in food of animal origin occurs in two times; one which produces potential threat to direct toxicity in human, second is whether the low levels of antibiotic exposure would result in alteration of microflora, cause disease and the possible development of resistant strains which cause failure of antibiotic therapy in clinical situations. A withdrawal period is established to safeguard human from exposure of antibiotic added food. The withdrawal time is the time required for the residue of toxicological concern to reach safe concentration as defined by tolerance. It is the interval from the time an animal is removed from medication until permitted time of slaughter. Heavy responsibility is placed on the veterinarian and livestock producer to observe the period for a withdrawal of a drug prior to slaughter to assure that illegal concentration of drug residue in meat, milk and egg do not occur. Use of food additives may improve feed efficiency 17% in beef cattle, 10% in lambs, 15% in poultry and 15% in swine. But their indiscriminate use will produce toxicity in consumers. WHO and FAO establish tolerances for a drug, pesticide or other chemical in the relevant tissues of food producing animals. The tolerance is the tissue concentration below, which a marker residue for the drug or chemical must fall in the target tissue before that animal edible tissues are considered safe for human

  1. Residual non-Abelian dark matter and dark radiation

    Directory of Open Access Journals (Sweden)

    P. Ko

    2017-05-01

    Full Text Available We propose a novel particle physics model in which vector dark matter (VDM and dark radiation (DR originate from the same non-Abelian dark sector. We show an illustrating example where dark SU(3 is spontaneously broken into SU(2 subgroup by the nonzero vacuum expectation value (VEV of a complex scalar in fundamental representation of SU(3. The massless gauge bosons associated with the residual unbroken SU(2 constitute DR and help to relieve the tension in Hubble constant measurements between Planck and Hubble Space Telescope. In the meantime, massive dark gauge bosons associated with the broken generators are VDM candidates. Intrinsically, this non-Abelian VDM can interact with non-Abelian DR in the cosmic background, which results in a suppressed matter power spectrum and leads to a smaller σ8 for structure formation.

  2. Intraoperative neuromuscular monitoring site and residual paralysis.

    Science.gov (United States)

    Thilen, Stephan R; Hansen, Bradley E; Ramaiah, Ramesh; Kent, Christopher D; Treggiari, Miriam M; Bhananker, Sanjay M

    2012-11-01

    Residual paralysis is common after general anesthesia involving administration of neuromuscular blocking drugs (NMBDs). Management of NMBDs and reversal is frequently guided by train-of-four (TOF) monitoring. We hypothesized that monitoring of eye muscles is associated with more frequent residual paralysis than monitoring at the adductor pollicis. This prospective cohort study enrolled 180 patients scheduled for elective surgery with anticipated use of NMBDs. Collected variables included monitoring site, age, gender, weight, body mass index, American Society of Anesthesiologists physical status class, type and duration of surgery, type of NMBDs, last and total dose administered, TOF count at time of reversal, dose of neostigmine, and time interval between last dose of NMBDs to quantitative measurement. Upon postanesthesia care unit admission, we measured TOF ratios by acceleromyography at the adductor pollicis. Residual paralysis was defined as a TOF ratio less than 90%. Multivariable logistic regression was used to account for unbalances between the two groups and to adjust for covariates. 150 patients received NMBDs and were included in the analysis. Patients with intraoperative TOF monitoring of eye muscles had significantly greater incidence of residual paralysis than patients monitored at the adductor pollicis (P paralysis was observed in 51/99 (52%) and 11/51 (22%) of patients, respectively. The crude odds ratio was 3.9 (95% CI: 1.8-8.4), and the adjusted odds ratio was 5.5 (95% CI: 2.1-14.5). Patients having qualitative TOF monitoring of eye muscles had a greater than 5-fold higher risk of postoperative residual paralysis than those monitored at the adductor pollicis.

  3. Influence of MSD crack pattern on the residual strength of flat stiffened sheets

    Science.gov (United States)

    Nilsson, K.-F.

    A parameter study of the residual strength for a multiple site damaged (MSD) stiffened sheet is presented. The analysis is based on an elastic-plastic fracture analysis using the yield-strip model for interaction between a lead crack and the smaller MSD cracks. Two crack growth criteria, one with a pronounced crack growth resistance and one with no crack growth resistance and five different MSD crack patterns, are analysed for different sizes of the lead crack and the smaller MSD cracks. The analysis indicates that the residual strength reduction depends on all these parameters and that MSD may totally erode the crack arrest capability of a tear strap. Another important outcome is that for certain combinations also very small MSD cracks may induce a significant residual strength reduction.

  4. Birefringence and residual stress induced by CO2 laser mitigation of damage growth in fused silica

    Science.gov (United States)

    Gallais, L.; Cormont, P.; Rullier, J. L.

    2009-10-01

    We investigate the residual stress field created near mitigated sites and its influence on the efficiency on the CO2 laser mitigation of damage growth process. A numerical model of CO2 laser interaction with fused silica is developed that take into account laser energy absorption, heat transfer, thermally-induced stress and birefringence. Specific photoelastic methods are developed to characterize the residual stress near mitigated sites in fused silica samples. The stress distribution and quantitative values of stress levels are obtained for sites treated with the CO2 laser in various conditions of energy deposition (beam size, pulse duration, incident power). The results obtained also show that the presence of birefringence/residual stress around the mitigated sites has a critical effect on their laser damage resistance.

  5. High residue contents indebted by platinum and silica synergistic action during the pyrolysis of silicone formulations.

    Science.gov (United States)

    Delebecq, Etienne; Hamdani-Devarennes, Siska; Raeke, Julia; Lopez Cuesta, José-Marie; Ganachaud, François

    2011-03-01

    The synergistic role of platinum and silica as a way to increase the final residue of pyrolized silicone was investigated and explained, giving new interpretations. Conditions were first set to study the thermal degradation of silicones in the presence of platinum based on the simplest silicone/silica/platinum formulation. Numerous parameters, e.g., platinum and silica content or silica surface modifications, were varied to track their influences on the final residues. A thorough DSC study, together with SEM/EDX and Pyrolysis/GC-MS analyses, led us to propose a three-stage process. The key parameter governing thermal stability and final content of the residue is the conjugated actions of immobilizing/cross-linking PDMS chains. Silica particles tether silicone chains through physical interactions, i.e., hydrogen bonding, facilitating a platinum radically catalyzed cross-linking reaction. Practical implications and possible improvements on LSR formulations are finally given.

  6. Aesthetic Interaction

    DEFF Research Database (Denmark)

    Ludvigsen, Martin; Petersen, M.G.; Iversen, O.

    2004-01-01

    , as it promotes aesthetics of use, rather than aesthetics of appearance. We coin this approach in the perspective of aesthetic interaction. Finally we make the point that aesthetics is not re-defining everything known about interactive systems. We provide a framework placing this perspective among other...

  7. Residual stresses of water-jet peened austenitic stainless steel

    International Nuclear Information System (INIS)

    Suzuki, Kenji; Shobu, Takahisa; Shiro, Ayumi

    2013-01-01

    The specimen material was austenitic stainless steel, SUS316L. The residual stress was induced by water-jet peening. The residual stress was measured using the 311 diffraction with conventional X-rays. The measured residual stress showed the equi-biaxial stress state. To investigate thermal stability of the residual stress, the specimen was aged thermally at 773K in air to 1000h. The residual stress kept the equi-biaxial stress state against the thermal aging. Lattice plane dependency of the residual stress induced by water-jet peening was evaluated using hard synchrotron X-rays. The residual stress measured by the soft lattice plane showed the equi-biaxial stress state, but the residual stress measured by the hard lattice plane did not. In addition, the distributions of the residual stress in the depth direction were measured using a strain scanning method with hard synchrotron X-rays and neutrons. (author)

  8. BLAST-based structural annotation of protein residues using Protein Data Bank.

    Science.gov (United States)

    Singh, Harinder; Raghava, Gajendra P S

    2016-01-25

    In the era of next-generation sequencing where thousands of genomes have been already sequenced; size of protein databases is growing with exponential rate. Structural annotation of these proteins is one of the biggest challenges for the computational biologist. Although, it is easy to perform BLAST search against Protein Data Bank (PDB) but it is difficult for a biologist to annotate protein residues from BLAST search. A web-server StarPDB has been developed for structural annotation of a protein based on its similarity with known protein structures. It uses standard BLAST software for performing similarity search of a query protein against protein structures in PDB. This server integrates wide range modules for assigning different types of annotation that includes, Secondary-structure, Accessible surface area, Tight-turns, DNA-RNA and Ligand modules. Secondary structure module allows users to predict regular secondary structure states to each residue in a protein. Accessible surface area predict the exposed or buried residues in a protein. Tight-turns module is designed to predict tight turns like beta-turns in a protein. DNA-RNA module developed for predicting DNA and RNA interacting residues in a protein. Similarly, Ligand module of server allows one to predicted ligands, metal and nucleotides ligand interacting residues in a protein. In summary, this manuscript presents a web server for comprehensive annotation of a protein based on similarity search. It integrates number of visualization tools that facilitate users to understand structure and function of protein residues. This web server is available freely for scientific community from URL http://crdd.osdd.net/raghava/starpdb .

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

    Science.gov (United States)

    Guzman, Jose German

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

  10. Effects of chemical modification of lysine residues on the sweetness of lysozyme.

    Science.gov (United States)

    Masuda, Tetsuya; Ide, Nobuyuki; Kitabatake, Naofumi

    2005-03-01

    Lysozyme is a sweet-tasting protein with a sweetness threshold value of around 7 microM. To clarify the effect of basicity at the side chain of lysine residues on the threshold values of sweetness, charge-specific chemical modifications such as guanidination, acetylation and phosphopyridoxylation of lysine residues were performed. Sensory analysis showed that the sweetness threshold value of lysozyme was not changed by guanidination, whereas it was increased markedly by acetylation and phosphopyridoxylation. To confirm the importance of the basicity in the lysine residues in detail, purification of acetylated (Ac-) and phosphopyridoxylated (PLP-) lysozymes using SP-ion exchange column chromatography was performed. The threshold values were not changed by modification with fewer than two residues (approximately 7 microM), whereas the threshold values significantly increased to 15 and 34 microM when tetra-Ac and tri-PLP, respectively. Furthermore, sweetness was not detected at 30 microM (hexa-, penta-Ac and tetra-PLP). It should be noted that removal of the negative charges of the phosphate groups in the tri-PLP lysozyme by acid phosphatase resulted in the recovery of sweetness (6.4 microM), indicating that basicity at the position of the lysine residues is responsible for lysozyme sweetness and that strict charge complementarities might be required for interaction to its putative receptor.

  11. Influence of metal substrates on the detection of explosive residues with laser-induced breakdown spectroscopy.

    Science.gov (United States)

    Gottfried, Jennifer L

    2013-02-01

    Laser-induced breakdown spectroscopy is a promising approach for explosive residue detection, but several limitations to its widespread use remain. One issue is that the emission spectra of the residues are dependent on the substrate composition because some of the substrate is usually entrained in the laser-induced plasma and the laser-material interaction can be significantly affected by the substrate type. Here, we have demonstrated that despite the strong spectral variation in cyclotrimethylenetrinitramine (RDX) residues applied to various metal substrates, classification of the RDX residue independent of substrate type is feasible. Several approaches to improving the chemometric models based on partial least squares discriminant analysis (PLS-DA) have been described: classifying the RDX residue spectra together in one class independent of substrate, using selected emission intensities and ratios to increase the true positive rate (TPR) and decrease the false positive rate (FPR), and fusing the results from two PLS-DA models generated using the full broadband spectra and selected intensities and ratios. The combination of these approaches resulted in a TPR of 97.5% and a FPR of 1.0% for RDX classification on metal substrates.

  12. Phenolic residues in spruce galactoglucomannans improve stabilization of oil-in-water emulsions.

    Science.gov (United States)

    Lehtonen, M; Merinen, M; Kilpeläinen, P O; Xu, C; Willför, S M; Mikkonen, K S

    2018-02-15

    Amphiphilic character of surfactants drives them at the interface of dispersed systems, such as emulsions. Hemicellulose-rich wood extracts contain assemblies (lignin-carbohydrate complexes, LCC) with natural amphiphilicity, which is expected to depend on their chemical composition resulting from the isolation method. Lignin-derived phenolic residues associated with hemicelluloses are hypothesized to contribute to emulsions' interfacial properties and stability. We investigated the role of phenolic residues in spruce hemicellulose extracts in the stabilization of oil-in-water emulsions by physical and chemical approach. Distribution and changes occurring in the phenolic residues at the droplet interface and in the continuous phase were studied during an accelerated storage test. Meanwhile, the physical stability and lipid oxidation in emulsions were monitored. Naturally associated lignin residues in GGM act as vehicles for anchoring these hemicelluloses into the oil droplet interface and further enable superior stabilization of emulsions. By adjusting the isolation method of GGM regarding their phenolic profile, their functionalities, especially interfacial behavior, can be altered. Retaining the native interactions of GGM and phenolic residues is suggested for efficient physical stabilization and extended protection against lipid oxidation. The results can be widely applied as guidelines in tailoring natural or synthetic amphiphilic compounds for interfacial stabilization. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Testing the efficiency of extraction of incurred residues from soil with optimized multi-residue method.

    Science.gov (United States)

    Suszter, Gabriella K; Ambrus, Árpád

    2017-08-03

    The reproducibility of extraction of residues from spiked soil samples and from soils containing incurred residues was tested with 14 C-labeled test compounds of different physical-chemical properties. Nearly 100% of the compounds added to the sample before extraction could be recovered with an average reproducibility relative standard deviation (CV) of 5.4%. The additional steps of the determination process (cleanup, evaporation, etc.) contributed to the major part of the variability of the results (CV = 10-20%). The incurred residues were most efficiently extracted with acetone for 30 min followed by the mixture of acetone/ethyl acetate 1:1 for additional 30 min. However, they could only be recovered at various extent (64-90% of total residues), underlying the importance of testing the efficiency of extraction. The residues were identified and quantified by gas chromatography applying thermionic detector. The performance parameters of the method complied with the international method validation guidelines, and they proved to be robust and suitable for determination of pesticide residues in soils of widely different physical-chemical properties.

  14. 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.)

  15. Isotopic tracer aided studies of fenvalerate residues in stored rice

    International Nuclear Information System (INIS)

    Varca, L.M.; Sanchez, T.E.; Magallona, E.D.

    1990-01-01

    Following application of 14 C-fenvalerate to milled rice and paddy rice at a concentration of 0.33 mg/kg, only insignificant losses were measured after 9 months. Distribution patterns in surface, methanol extractable and bound residues were studied. Paddy rice contained less extractable residues than milled rice, with the major part being found in the husk. Bound residues in both milled and paddy rice decreased also with length of storage; as much as 30% was found as bound residues after nine months. Cooking reduced the insecticide residues in milled rice by 33-40% and residues in paddy rice by 58%. (author). 8 refs, 1 fig., 4 tabs

  16. Polymorphisms at Amino Acid Residues 141 and 154 Influence Conformational Variation in Ovine PrP

    Directory of Open Access Journals (Sweden)

    Sujeong Yang

    2014-01-01

    Full Text Available Polymorphisms in ovine PrP at amino acid residues 141 and 154 are associated with susceptibility to ovine prion disease: Leu141Arg154 with classical scrapie and Phe141Arg154 and Leu141His154 with atypical scrapie. Classical scrapie is naturally transmissible between sheep, whereas this may not be the case with atypical scrapie. Critical amino acid residues will determine the range or stability of structural changes within the ovine prion protein or its functional interaction with potential cofactors, during conversion of PrPC to PrPSc in these different forms of scrapie disease. Here we computationally identified that regions of ovine PrP, including those near amino acid residues 141 and 154, displayed more conservation than expected based on local structural environment. Molecular dynamics simulations showed these conserved regions of ovine PrP displayed genotypic differences in conformational repertoire and amino acid side-chain interactions. Significantly, Leu141Arg154 PrP adopted an extended beta sheet arrangement in the N-terminal palindromic region more frequently than the Phe141Arg154 and Leu141His154 variants. We supported these computational observations experimentally using circular dichroism spectroscopy and immunobiochemical studies on ovine recombinant PrP. Collectively, our observations show amino acid residues 141 and 154 influence secondary structure and conformational change in ovine PrP that may correlate with different forms of scrapie.

  17. Collocated Interaction

    DEFF Research Database (Denmark)

    E. Fischer, Joel; Porcheron, Martin; Lucero, Andrés

    2016-01-01

    , and wearable technologies, spaces and spatial interaction, and those interested in the social aspects of interaction, such as conversation analysis and ethnomethodology. These communities have matured considerably, and produced significant exemplars of systems, methods, and studies concerned with collocated...... interactions. Yet, new challenges abound as people wear and carry more devices than ever, creating fragmented device ecologies at work, and changing the ways we socialise with each other. In this workshop we seek to start a dialogue to look back as well as forward, review best practices, discuss and design...

  18. Programming Interactivity

    CERN Document Server

    Noble, Joshua

    2012-01-01

    Ready to create rich interactive experiences with your artwork, designs, or prototypes? This is the ideal place to start. With this hands-on guide, you'll explore several themes in interactive art and design-including 3D graphics, sound, physical interaction, computer vision, and geolocation-and learn the basic programming and electronics concepts you need to implement them. No previous experience is necessary. You'll get a complete introduction to three free tools created specifically for artists and designers: the Processing programming language, the Arduino microcontroller, and the openFr

  19. Alkali activation processes for incinerator residues management.

    Science.gov (United States)

    Lancellotti, Isabella; Ponzoni, Chiara; Barbieri, Luisa; Leonelli, Cristina

    2013-08-01

    Incinerator bottom ash (BA) is produced in large amount worldwide and in Italy, where 5.1 millionstons of municipal solid residues have been incinerated in 2010, corresponding to 1.2-1.5 millionstons of produced bottom ash. This residue has been used in the present study for producing dense geopolymers containing high percentage (50-70 wt%) of ash. The amount of potentially reactive aluminosilicate fraction in the ash has been determined by means of test in NaOH. The final properties of geopolymers prepared with or without taking into account this reactive fraction have been compared. The results showed that due to the presence of both amorphous and crystalline fractions with a different degree of reactivity, the incinerator BA geopolymers exhibit significant differences in terms of Si/Al ratio and microstructure when reactive fraction is considered. Copyright © 2013 Elsevier Ltd. All rights reserved.

  20. Residual stress measurement by neutron diffraction

    International Nuclear Information System (INIS)

    Akita, Koichi; Suzuki, Hiroshi

    2010-01-01

    Neutron diffraction method has great advantages, allowing us to determine the residual stress deep present within the bulk materials and components nondestructively. Therefore, the method has been applied to confirm the structural integrity of the actual mechanical components and structures and to improve the manufacturing process and strength reliability of the products. This article reviews the residual stress measurement methodology of neutron diffraction. It also refers to the appropriate treatments of diffraction plane, stress-free lattice spacing, coarse grain and surface error to obtain reliable results. Finally, a few applications are introduced to show the capabilities of the neutron stress measurement method for the studies on the strength and elasto-plastic behaviors of crystalline materials. (author)