WorldWideScience

Sample records for residual interaction parameters

  1. Electroweak interaction parameters

    International Nuclear Information System (INIS)

    Marciano, W.J.

    1984-01-01

    After a presentation of the experimentally determined parameters of the standard SU(3) x SU(2) x U(1) model the author discusses the definition of the Weinberg angle. Then masses and widths of the intermediate vector bosons are considered in the framework of the Weinberg-Salam theory with radiative corrections. Furthermore the radiative decays of these bosons are discussed. Then the relations between the masses of the Higgs boson and the top quark are considered. Thereafter grand unification is briefly discussed with special regards to the SU(5) prediction of some observable parameters. Finally some speculations are made concerning the observation of radiative decays in the UA1 experiments. (HSI)

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

    Science.gov (United States)

    Jiao, Xiong; Ranganathan, Shoba

    2017-11-07

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

  3. Improved Interaction Potentials for Charged Residues in Proteins

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2008-01-01

    Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self-consistent, exper......Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self......, 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...

  4. Identification of NAD interacting residues in proteins

    Directory of Open Access Journals (Sweden)

    Raghava Gajendra PS

    2010-03-01

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

  5. 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

  6. Initial contents of residue quality parameters predict effects of larger soil fauna on decomposition of contrasting quality residues

    Directory of Open Access Journals (Sweden)

    Ratikorn Sanghaw

    2017-10-01

    Full Text Available A 52-week decomposition study employing the soil larger fauna exclusion technique through litter bags of two mesh sizes (20 and 0.135 mm was conducted in a long-term (18 yr field experiment. Organic residues of contrasting quality of N, lignin (L, polyphenols (PP and cellulose (CL all in grams per kilogram: rice straw (RS: 4.5N, 22.2L, 3.9PP, 449CL, groundnut stover (GN: 21.2N, 71.4L, 8.1PP, 361CL, dipterocarp leaf litter (DP: 5.1N, 303L, 68.9PP, 271CL and tamarind leaf litter (TM: 11.6N, 190L, 27.7PP, 212CL were applied to soil annually to assess and predict soil larger fauna effects (LFE on decomposition based on the initial contents of the residue chemical constituents. Mass losses in all residues were not different under soil fauna inclusion and exclusion treatments during the early stage (up to week 4 after residue incorporation but became significantly higher under the inclusion than the exclusion treatments during the later stage (week 8 onwards. LFE were highest (2–51% under the resistant DP at most decomposition stages. During the early stage (weeks 1–4, both the initial contents of labile (N and CL and recalcitrant C, and recalcitrant C interaction with labile constituents of residues showed significant correlations (r = 0.64–0.90 with LFE. In the middle stage (week 16, LFE under resistant DP and TM had significant positive correlations with L, L + PP and L/CL. They were also affected by these quality parameters as shown by the multiple regression analysis. In the later stages (weeks 26–52, the L/CL ratio was the most prominent quality parameter affecting LFE. Keywords: Mesofauna and macrofauna, Microorganisms, Recalcitrant and labile compounds, Residue chemical composition, Tropical sandy soil

  7. 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...

  8. 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

  9. Modeling and Parameter Optimization for Surface Roughness and Residual Stress in Dry Turning Process

    Directory of Open Access Journals (Sweden)

    M. H. El-Axir

    2017-10-01

    Full Text Available The influence of some turning variables and tool overhang on surface roughness parameters and residual stress induced due to machining 6061-T6 aluminum alloy is investigated in this paper. Four input parameters (cutting speed, feed rate, depth of cut and tool overhang are considered. Tests are carried out by precision turning operation on a lathe. Design of experiment techniques, i.e. response surface methodology (RSM and Taguchi's technique have been used to accomplish the objective of the experimental study. Surface roughness parameters are measured using a portable surface roughness device while residual stresses are measured employing deflection-etching technique using electrochemical analysis. The results obtained reveal that feed and rotational speed play significant role in determining the average surface roughness. Furthermore, the depth of cut and tool overhang are less significant parameters, whereas tool overhang interacts with feed rate. The best result of surface roughness was obtained using low or medium values of overhang with low speed and /or feed rate. Minimum maximum tensile residual stress can be obtained with a combination of tool overhang of 37 mm with very low depth of cut, low rotational speed and feed rate of 0.188 mm/rev.

  10. Immunological parameters and residual feed intake of Nellore heifers

    Directory of Open Access Journals (Sweden)

    Cleisy Ferreira Nascimento

    2012-12-01

    Full Text Available The residual feed intake (RFI is a parameter used in the identification of animals with respect to more efficient feed utilization. However, physiological basis are still unknown, however, the interrelationships between nutrition an immunity of the animal can contribute to the investigation of biological phenomena relevant to the RFI, since the defense system to oxidative effects caused by free radicals, is formed by acid polyunsaturated fatty acids, water soluble substances and enzymes, which derive mainly from the use of nutrients in the diet. The objective of this study was to evaluate the immunological parameters of Nellore heifers classified according to RFI. It were evaluated 176 heifers (born between 2008 and 2010, Traditional Nellore herd from Instituto de Zootecnia - Sertãozinho/SP, forming three groups of evaluation, submitted to test post weaning feed efficiency and classified into high (> mean + 0.5 SD, n= 55, medium (± 0.5 SD, n= 65 and low RFI (< mean – 0.5 SD, n= 56. The diet was formulated based on Brachiaria decumbens hay, corn, cottonseed meal and mineral mixture (45:55, forage: concentrate. The weight of the animals were performed in fasting blood samples collected by venipuncture vein, using tubes of 10 ml type vacuntainer with EDTA anticoagulant. In the clinical laboratory, we measured the values of leukocytes (LEU; Targeted (SEG and lymphocytes (LIN. The experimental design was a randomized block design using PROC GLM of SAS, considering the fixed effects of year and the age covariate in the statistical model and the averages compared by Tukey test at 5% probability. There was no significant difference (P>0,005 between variables leukocyte (LEU, SEG and LIN and class of RFI (table 1, indicating that there is no distinction between animals more efficient (low RFI and less efficient (high RFI, for inflammatory and immune responses to oxidative effects. Therefore the variables measured leukocytes not explain the differences

  11. 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

  12. Effect of process parameters on the residual stresses in AA5083-H321 friction stir welds

    Energy Technology Data Exchange (ETDEWEB)

    Lombard, H. [NMMU, Gardham Avenue, PO Box 77000, 6031 Port Elizabeth (South Africa); University of Plymouth, Drake Circus, Plymouth PL4 8AA (United Kingdom); Hattingh, D.G. [NMMU, Gardham Avenue, PO Box 77000, 6031 Port Elizabeth (South Africa); Steuwer, A. [NMMU, Gardham Avenue, PO Box 77000, 6031 Port Elizabeth (South Africa); FaME38 at the ILL-ESRF, 6 rue J Horowitz, 38042 Grenoble (France); University of Plymouth, Drake Circus, Plymouth PL4 8AA (United Kingdom)], E-mail: steuwer@ill.fr; James, M.N. [NMMU, Gardham Avenue, PO Box 77000, 6031 Port Elizabeth (South Africa); University of Plymouth, Drake Circus, Plymouth PL4 8AA (United Kingdom)

    2009-02-15

    This paper investigates the effect of varying welding parameters on the residual stress profiles in friction stir welds of aluminium alloy AA5083-H321, which were created on a fully instrumented friction welding machine. The residual stresses were determined non-destructively using synchrotron X-ray diffraction. The width and maximum of the residual stress profile show clear correlation with the heat input, and in particular feed rate, which was found to be the dominant parameter.

  13. Hexagonal boron nitride and water interaction parameters

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yanbin; Aluru, Narayana R., E-mail: aluru@illinois.edu [Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Wagner, Lucas K. [Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801-3080 (United States)

    2016-04-28

    The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate water contact angle on bulk hBN, attaining a value within the experimental uncertainties. This paper demonstrates that end-to-end multiscale modeling, starting at detailed many-body quantum mechanics and ending with macroscopic properties, with the approximations controlled along the way, is feasible for these systems.

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

    KAUST Repository

    Wong, Ka-Chun; Li, Yue; Peng, Chengbin; Moses, Alan M.; Zhang, Zhaolei

    2015-01-01

    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.

  15. 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.

  16. 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 .

  17. The residual proton-neutron interaction and nuclear collectivity

    International Nuclear Information System (INIS)

    Casten, R.F.

    1990-01-01

    The essential role of the valence, residual p-n interaction in the development of collectivity, though long known in general terms, has recently become increasingly apparent. A brief review of the p-n interaction is given, including some very basic nuclear data that illustrate its effects and the phenomenological N p N n scheme and the P-factor. This is followed by a discussion of recent experimental extractions of p-n matrix elements throughout the periodic table and theoretical efforts to understand them, in terms of both Shell and Nilsson models. 20 refs., 13 figs

  18. Exploiting residual information in the parameter choice for discrete ill-posed problems

    DEFF Research Database (Denmark)

    Hansen, Per Christian; Kilmer, Misha E.; Kjeldsen, Rikke Høj

    2006-01-01

    Most algorithms for choosing the regularization parameter in a discrete ill-posed problem are based on the norm of the residual vector. In this work we propose a different approach, where we seek to use all the information available in the residual vector. We present important relations between...

  19. 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

  20. 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.

  1. Modeling the Influence of Process Parameters and Additional Heat Sources on Residual Stresses in Laser Cladding

    Science.gov (United States)

    Brückner, F.; Lepski, D.; Beyer, E.

    2007-09-01

    In laser cladding thermal contraction of the initially liquid coating during cooling causes residual stresses and possibly cracks. Preweld or postweld heating using inductors can reduce the thermal strain difference between coating and substrate and thus reduce the resulting stress. The aim of this work is to better understand the influence of various thermometallurgical and mechanical phenomena on stress evolution and to optimize the induction-assisted laser cladding process to get crack-free coatings of hard materials at high feed rates. First, an analytical one-dimensional model is used to visualize the most important features of stress evolution for a Stellite coating on a steel substrate. For more accurate studies, laser cladding is simulated including the powder-beam interaction, the powder catchment by the melt pool, and the self-consistent calculation of temperature field and bead shape. A three-dimensional finite element model and the required equivalent heat sources are derived from the results and used for the transient thermomechanical analysis, taking into account phase transformations and the elastic-plastic material behavior with strain hardening. Results are presented for the influence of process parameters such as feed rate, heat input, and inductor size on the residual stresses at a single bead of Stellite coatings on steel.

  2. Extended Lipkin-type models with residual proton-neutron interaction

    International Nuclear Information System (INIS)

    Stoica, S.

    1999-01-01

    Extended Lipkin-Meshkov-Glick (LMG) models for testing the Random Phase Approximation (RPA) and proton-neutron Random Phase Approximation (pnRPA) methods are developed taking into account explicitly the proton and neutron degrees of freedom. First, an extended LMG model for testing RPA is developed. The proton and neutron Hamiltonians are taken to be of the LMG form and, in addition, a residual proton-neutron interaction is included. Exact solutions in a SU(2) x SU(2) basis as well as the RPA solutions for the energy spectrum of the model Hamiltonian are obtained. Then, the behaviour of the first collective excited state is studied as a function of the interaction parameters of the model using the exact and RPA methods. Secondly, an extended LMG model for testing pnRPA method is developed. Besides the proton and neutron single particle terms two types of residual proton-neutron interactions, one simulating a particle-particle and the other a particle-hole interaction, are included in the model Hamiltonian, so that the model is exactly solvable in an isospin SU(2) x SU(2) basis. The exact and pnRPA spectra of the model Hamiltonian are calculated as a function of the model parameters and compared to each other. Furthermore, charge-changing operators simulating a nuclear beta decay and their action on eigenfunctions of the model Hamiltonian are defined, and transition amplitude of them are calculated using exact and pnRPA wave functions. The best agreement between the exact RPA-type calculations for spectra and transitions, was obtained when the correlated RPA ground state, instead of the uncorrelated HF ground state was employed and when both kinds of residual interactions (i.e. like- and unlike-particle two-body interactions) are included in the model Hamiltonians. (author)

  3. Hubungan Parameter Sifat Magnetik Dan Sifat Keteknikan Tanah Pada Tanah Residual Vulkanik

    Directory of Open Access Journals (Sweden)

    Mela Faridlah

    2017-10-01

    Full Text Available Penelitian mengenai karakteristik tanah residual vulkanik menggunakan metode magnetik dan metode geoteknik telah dilakukan pada lereng stabil dan lereng longsor yang berada di Desa Langensari Kecamatan Lembang Kabupaten Bandung Barat Provinsi Jawa Barat. Penelitian ini dimaksudkan untuk mengetahui gambaran karakteristik suseptibilitas magnetik dan parameter keteknikan tanah residual vulkanik. Karakteristik geoteknik ditentukan melalui uji fisik berupa uji bobot isi, berat isi tanah basah, berat isi tanah kering, kadar air, derajat kejenuhan dan porositas, uji batas atterberg serta uji ukuran butir tanah.. Karakteristik magnetik ditentukan melalui uji suseptibilitas magnetik menggunakan Bartington MS2B (Magnetic Suseptibility System sensor B dual frekuensi yaitu 470 Hz dan 4,7 kHz. Hasil penelitian ini menunjukkan peningkatan nilai-nilai χLF (suseptibilitas frekuensi rendah dan χFD% (suseptibilitas bergantung frekuensi kearah horizon bagian atas profil tanah residual. Peningkatan nilai-nilai χLF dan χFD% ke arah horizon bagian atas merupakan karakteristik dari suseptibilitas magnetik.Dari hasil penelitian geoteknik dan magnetik didapatkan hasil jenis tanah residual vulkanik tersebut merupakan tanah lempung dengan mineral dominan yaitu Ilmenit. Hubungan antara parameter magnetik dan keteknikan tanah yaitu beberapa parameter keteknikan yang mempengaruhi sifat kemagnetan diantaranya berat isi tanah basah dan kadar air. Research on volcanic residual soil characteristics using magnetic methods and geotechnic methods was carried out on a stable slope and landslide slope are located in Langensari Lembang west Bandung, West Java Province. This study are intended to describe the characteristics of the magnetic susceptibility and residual volcanic soil engineering parameters. Geotechnical characteristics were determined by physical properties tests such as bulk density test, wet density, dry density, water content, degree of saturation and porosity

  4. Residue-based Coordinated Selection and Parameter Design of Multiple Power System Stabilizers (PSSs)

    DEFF Research Database (Denmark)

    Su, Chi; Hu, Weihao; Fang, Jiakun

    2013-01-01

    data from time domain simulations. Then a coordinated approach for multiple PSS selection and parameter design based on residue method is proposed and realized in MATLAB m-files. Particle swarm optimization (PSO) is adopted in the coordination process. The IEEE 39-bus New England system model...

  5. The RING 2.0 web server for high quality residue interaction networks.

    Science.gov (United States)

    Piovesan, Damiano; Minervini, Giovanni; Tosatto, Silvio C E

    2016-07-08

    Residue interaction networks (RINs) are an alternative way of representing protein structures where nodes are residues and arcs physico-chemical interactions. RINs have been extensively and successfully used for analysing mutation effects, protein folding, domain-domain communication and catalytic activity. Here we present RING 2.0, a new version of the RING software for the identification of covalent and non-covalent bonds in protein structures, including π-π stacking and π-cation interactions. RING 2.0 is extremely fast and generates both intra and inter-chain interactions including solvent and ligand atoms. The generated networks are very accurate and reliable thanks to a complex empirical re-parameterization of distance thresholds performed on the entire Protein Data Bank. By default, RING output is generated with optimal parameters but the web server provides an exhaustive interface to customize the calculation. The network can be visualized directly in the browser or in Cytoscape. Alternatively, the RING-Viz script for Pymol allows visualizing the interactions at atomic level in the structure. The web server and RING-Viz, together with an extensive help and tutorial, are available from URL: http://protein.bio.unipd.it/ring. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  6. 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.

  7. Evaluation of self-interaction parameters from binary phase diagrams

    International Nuclear Information System (INIS)

    Ellison, T.L.

    1977-10-01

    The feasibility of calculating Wagner self-interaction parameters from binary phase diagrams was examined. The self-interaction parameters of 22 non-ferrous liquid solutions were calculated utilizing an equation based on the equality of the chemical potentials of a component in two equilibrium phases. Utilization of the equation requires the evaluation of the first and second derivatives of various liquidus and solidus data at infinite dilution of the solute component. Several numerical methods for evaluating the derivatives of tabular data were examined. A method involving power series curve fitting and subsequent differentiation of the power series was found to be the most suitable for the interaction parameter calculations. Comparison of the calculated self-interaction parameters with values obtained from thermodynamic measurements indicates that the Wagner self-interaction parameter can be successfully calculated from binary phase diagrams

  8. Landau parameters for finite range density dependent nuclear interactions

    International Nuclear Information System (INIS)

    Farine, M.

    1997-01-01

    The Landau parameters represent the effective particle-hole interaction at Fermi level. Since between the physical observables and the Landau parameters there is a direct relation their derivation from an effective interaction is of great interest. The parameter F 0 determines the incompressibility K of the system. The parameter F 1 determines the effective mass (which controls the level density at the Fermi level). In addition, F 0 ' determines the symmetry energy, G 0 the magnetic susceptibility, and G 0 ' the pion condensation threshold in nuclear matter. This paper is devoted to a general derivation of Landau parameters for an interaction with density dependent finite range terms. Particular carefulness is devoted to the inclusion of rearrangement terms. This report is part of a larger project which aims at defining a new nuclear interaction improving the well-known D1 force of Gogny et al. for describing the average nuclear properties and exotic nuclei and satisfying, in addition, the sum rules

  9. NUMERICAL SIMULATION OF RESIDUAL STRESSES GENERATED IN THE WIRE DRAWING PROCESS FOR DIFFERENT PROCESS PARAMETERS

    Directory of Open Access Journals (Sweden)

    Juliana Zottis

    2014-03-01

    Full Text Available The drawing process of steel bars is usually used to check better dimensional accuracy and mechanical properties to the material. In the other hand, the major concern found in manufacturing axes through this process is the appearance of distortion of shape. Such distortions are directly linked to the accumulation of residual stresses generated during the processes. As a result, this paper aims to study the influence of process parameters such as shape of puller, speed and lubrication used in wire drawing analyzing the accumulation of residual stress after the process. The stress analysis was performed by FEM being used two simulation software: Simufact.formingGP and DeformTM. Through these analyzes, it was found that the shape of how the bar is pulled causes a reduction of up to 100 MPa in residual stresses in the center of the bar, which represents an important factor in the study of the possible causes of the distortion. As well as factors speed and homogeneity of lubrication significantly altered the profile of residual stresses in the bar.

  10. The Effect of Stochastically Varying Creep Parameters on Residual Stresses in Ceramic Matrix Composites

    Science.gov (United States)

    Pineda, Evan J.; Mital, Subodh K.; Bednarcyk, Brett A.; Arnold, Steven M.

    2015-01-01

    Constituent properties, along with volume fraction, have a first order effect on the microscale fields within a composite material and influence the macroscopic response. Therefore, there is a need to assess the significance of stochastic variation in the constituent properties of composites at the higher scales. The effect of variability in the parameters controlling the time-dependent behavior, in a unidirectional SCS-6 SiC fiber-reinforced RBSN matrix composite lamina, on the residual stresses induced during processing is investigated numerically. The generalized method of cells micromechanics theory is utilized to model the ceramic matrix composite lamina using a repeating unit cell. The primary creep phases of the constituents are approximated using a Norton-Bailey, steady state, power law creep model. The effect of residual stresses on the proportional limit stress and strain to failure of the composite is demonstrated. Monte Carlo simulations were conducted using a normal distribution for the power law parameters and the resulting residual stress distributions were predicted.

  11. Optimisation of process parameters in friction stir welding based on residual stress analysis: a feasibility study

    DEFF Research Database (Denmark)

    Tutum, Cem Celal; Hattel, Jesper Henri

    2010-01-01

    The present paper considers the optimisation of process parameters in friction stir welding (FSW). More specifically, the choices of rotational speed and traverse welding speed have been investigated using genetic algorithms. The welding process is simulated in a transient, two......-dimensional sequentially coupled thermomechanical model in ANSYS. This model is then used in an optimisation case where the two objectives are the minimisation of the peak residual stresses and the maximisation of the welding speed. The results indicate that the objectives for the considered case are conflicting......, and this is presented as a Pareto optimal front. Moreover, a higher welding speed for a fixed rotational speed results, in general, in slightly higher stress levels in the tension zone, whereas a higher rotational speed for a fixed welding speed yields somewhat lower peak residual stress, however, a wider tension zone...

  12. Maximising municipal solid waste--legume trimming residue mixture degradation in composting by control parameters optimization.

    Science.gov (United States)

    Cabeza, I O; López, R; Ruiz-Montoya, M; Díaz, M J

    2013-10-15

    Composting is one of the most successful biological processes for the treatment of the residues enriched in putrescible materials. The optimization of parameters which have an influence on the stability of the products is necessary in order to maximize recycling and recovery of waste components. The influence of the composting process parameters (aeration, moisture, C/N ratio, and time) on the stability parameters (organic matter, N-losses, chemical oxygen demand, nitrate, biodegradability coefficient) of the compost was studied. The composting experiment was carried out using Municipal Solid Waste (MSW) and Legume Trimming Residues (LTR) in 200 L isolated acrylic barrels following a Box-Behnken central composite experimental design. Second-order polynomial models were found for each of the studied compost stability parameter, which accurately described the relationship between the parameters. The differences among the experimental values and those estimated by using the equations never exceeded 10% of the former. Results of the modelling showed that excluding the time, the C/N ratio is the strongest variable influencing almost all the stability parameters studied in this case, with the exception of N-losses which is strongly dependent on moisture. Moreover, an optimized ratio MSW/LTR of 1/1 (w/w), moisture content in the range of 40-55% and moderate to low aeration rate (0.05-0.175 Lair kg(-)(1) min(-1)) is recommended to maximise degradation and to obtain a stable product during co-composting of MSW and LTR. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Life cycle assessment and residue leaching: The importance of parameter, scenario and leaching data selection

    Energy Technology Data Exchange (ETDEWEB)

    Allegrini, E., E-mail: elia@env.dtu.dk [Technical University of Denmark, Department of Environmental Engineering, Building 115, 2800 Lyngby (Denmark); Butera, S. [Technical University of Denmark, Department of Environmental Engineering, Building 115, 2800 Lyngby (Denmark); Kosson, D.S. [Vanderbilt University, Department of Civil and Environmental Engineering, Box 1831 Station B, Nashville, TN 37235 (United States); Van Zomeren, A. [Energy Research Centre of the Netherlands (ECN), Department of Environmental Risk Assessment, P.O. Box 1, 1755 ZG Petten (Netherlands); Van der Sloot, H.A. [Hans van der Sloot Consultancy, Dorpsstraat 216, 1721 BV Langedijk (Netherlands); Astrup, T.F. [Technical University of Denmark, Department of Environmental Engineering, Building 115, 2800 Lyngby (Denmark)

    2015-04-15

    Highlights: • Relevance of metal leaching in waste management system LCAs was assessed. • Toxic impacts from leaching could not be disregarded. • Uncertainty of toxicity, due to background activities, determines LCA outcomes. • Parameters such as pH and L/S affect LCA results. • Data modelling consistency and coverage within an LCA are crucial. - Abstract: Residues from industrial processes and waste management systems (WMSs) have been increasingly reutilised, leading to landfilling rate reductions and the optimisation of mineral resource utilisation in society. Life cycle assessment (LCA) is a holistic methodology allowing for the analysis of systems and products and can be applied to waste management systems to identify environmental benefits and critical aspects thereof. From an LCA perspective, residue utilisation provides benefits such as avoiding the production and depletion of primary materials, but it can lead to environmental burdens, due to the potential leaching of toxic substances. In waste LCA studies where residue utilisation is included, leaching has generally been neglected. In this study, municipal solid waste incineration bottom ash (MSWI BA) was used as a case study into three LCA scenarios having different system boundaries. The importance of data quality and parameter selection in the overall LCA results was evaluated, and an innovative method to assess metal transport into the environment was applied, in order to determine emissions to the soil and water compartments for use in an LCA. It was found that toxic impacts as a result of leaching were dominant in systems including only MSWI BA utilisation, while leaching appeared negligible in larger scenarios including the entire waste system. However, leaching could not be disregarded a priori, due to large uncertainties characterising other activities in the scenario (e.g. electricity production). Based on the analysis of relevant parameters relative to leaching, and on general results

  14. Optimization of the Process Parameters for Controlling Residual Stress and Distortion in Friction Stir Welding

    DEFF Research Database (Denmark)

    Tutum, Cem Celal; Schmidt, Henrik Nikolaj Blicher; Hattel, Jesper Henri

    2008-01-01

    In the present paper, numerical optimization of the process parameters, i.e. tool rotation speed and traverse speed, aiming minimization of the two conflicting objectives, i.e. the residual stresses and welding time, subjected to process-specific thermal constraints in friction stir welding......, is investigated. The welding process is simulated in 2-dimensions with a sequentially coupled transient thermo-mechanical model using ANSYS. The numerical optimization problem is implemented in modeFRONTIER and solved using the Multi-Objective Genetic Algorithm (MOGA-II). An engineering-wise evaluation or ranking...

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

    Directory of Open Access Journals (Sweden)

    Szymański Maciej

    2015-01-01

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

  16. The effects of machine parameters on residual stress determined using micro-Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sparks, R.G.; Enloe, W.S.; Paesler, M.A.

    1988-12-01

    The effects of machine parameters on residual stresses in single point diamond turned silicon and germanium have been investigated using micro-Raman spectroscopy. Residual stresses were sampled across ductile feed cuts in < 100 > silicon and germanium which were single point diamond turned using a variety of feed rates, rake angles and clearance angles. High spatial resolution micro-Raman spectra (1{mu}m spot) were obtained in regions of ductile cutting where no visible surface damage was present. The use of both 514-5nm and 488.0nm excitation wavelengths, by virtue of their differing characteristic penetration depths in the materials, allowed determinations of stress profiles as a function of depth into the sample. Previous discussions have demonstrated that such Raman spectra will exhibit asymmetrically broadened peaks which are characteristic of the superposition of a continuum of Raman scatterers from the various depths probed. Depth profiles of residual stress were obtained using computer deconvolution of the resulting asymmetrically broadened raman spectra.

  17. Life cycle assessment and residue leaching: the importance of parameter, scenario and leaching data selection.

    Science.gov (United States)

    Allegrini, E; Butera, S; Kosson, D S; Van Zomeren, A; Van der Sloot, H A; Astrup, T F

    2015-04-01

    Residues from industrial processes and waste management systems (WMSs) have been increasingly reutilised, leading to landfilling rate reductions and the optimisation of mineral resource utilisation in society. Life cycle assessment (LCA) is a holistic methodology allowing for the analysis of systems and products and can be applied to waste management systems to identify environmental benefits and critical aspects thereof. From an LCA perspective, residue utilisation provides benefits such as avoiding the production and depletion of primary materials, but it can lead to environmental burdens, due to the potential leaching of toxic substances. In waste LCA studies where residue utilisation is included, leaching has generally been neglected. In this study, municipal solid waste incineration bottom ash (MSWI BA) was used as a case study into three LCA scenarios having different system boundaries. The importance of data quality and parameter selection in the overall LCA results was evaluated, and an innovative method to assess metal transport into the environment was applied, in order to determine emissions to the soil and water compartments for use in an LCA. It was found that toxic impacts as a result of leaching were dominant in systems including only MSWI BA utilisation, while leaching appeared negligible in larger scenarios including the entire waste system. However, leaching could not be disregarded a priori, due to large uncertainties characterising other activities in the scenario (e.g. electricity production). Based on the analysis of relevant parameters relative to leaching, and on general results of the study, recommendations are provided regarding the use of leaching data in LCA studies. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Prediction of vitamin interacting residues in a vitamin binding protein using evolutionary information.

    Science.gov (United States)

    Panwar, Bharat; Gupta, Sudheer; Raghava, Gajendra P S

    2013-02-07

    The vitamins are important cofactors in various enzymatic-reactions. In past, many inhibitors have been designed against vitamin binding pockets in order to inhibit vitamin-protein interactions. Thus, it is important to identify vitamin interacting residues in a protein. It is possible to detect vitamin-binding pockets on a protein, if its tertiary structure is known. Unfortunately tertiary structures of limited proteins are available. Therefore, it is important to develop in-silico models for predicting vitamin interacting residues in protein from its primary structure. In this study, first we compared protein-interacting residues of vitamins with other ligands using Two Sample Logo (TSL). It was observed that ATP, GTP, NAD, FAD and mannose preferred {G,R,K,S,H}, {G,K,T,S,D,N}, {T,G,Y}, {G,Y,W} and {Y,D,W,N,E} residues respectively, whereas vitamins preferred {Y,F,S,W,T,G,H} residues for the interaction with proteins. Furthermore, compositional information of preferred and non-preferred residues along with patterns-specificity was also observed within different vitamin-classes. Vitamins A, B and B6 preferred {F,I,W,Y,L,V}, {S,Y,G,T,H,W,N,E} and {S,T,G,H,Y,N} interacting residues respectively. It suggested that protein-binding patterns of vitamins are different from other ligands, and motivated us to develop separate predictor for vitamins and their sub-classes. The four different prediction modules, (i) vitamin interacting residues (VIRs), (ii) vitamin-A interacting residues (VAIRs), (iii) vitamin-B interacting residues (VBIRs) and (iv) pyridoxal-5-phosphate (vitamin B6) interacting residues (PLPIRs) have been developed. We applied various classifiers of SVM, BayesNet, NaiveBayes, ComplementNaiveBayes, NaiveBayesMultinomial, RandomForest and IBk etc., as machine learning techniques, using binary and Position-Specific Scoring Matrix (PSSM) features of protein sequences. Finally, we selected best performing SVM modules and obtained highest MCC of 0.53, 0.48, 0.61, 0

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

    Indian Academy of Sciences (India)

    Madhsudhan

    interaction of proteins and peptides with membranes (Segrest ... favour surface activity have been described by Eisenberg et ... amphipathicity and propensity for α-helical conformation ..... Membrane destabilisation occurs due to electrostatic.

  20. The Study of Residual Voltage of Induction Motor and the Influence of Various Parameters on the Residual Voltage

    Science.gov (United States)

    Zhang, Shuping; Zhao, Chen; Tan, Weipu

    2017-05-01

    The majority important load of industrial area is mainly composed of induction motor, it is more common that induction motor becomes sluggishness and even tripping due to the lose of power supply or other malfunction in the practical work. In this paper, space vector method is used to establish a reduced order model of induction motor, and then study the changes of motor electromagnetic after losing electricity. Based on motion equations of the rotor and magnetic flux conservation principle, it uses mathematical methods to deduce the expression of rotor current, rotor flux, the stator flux and the residual voltage of stator side. In addition, relying on thermal power plants, it uses the actual data of power plants, takes DIgsilent software to simulate the residual voltage of motor after losing electricity. analyses the influence on the residual voltage with the changes of the moment of inertia, load ratio, initial size of slip and the load characteristic of induction motor. By analysis of these, it has a more detailed understanding about the changes of residual voltage in practical application, in additional, it is more beneficial to put into standby power supply safely and effectively, moreover, reduce the influence of the input process to the whole system.

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

    Directory of Open Access Journals (Sweden)

    Amanda Tse

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

  2. 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

  3. Effect of fermented biogas residue on growth performance, serum biochemical parameters, and meat quality in pigs

    Directory of Open Access Journals (Sweden)

    Xiang Xu

    2017-10-01

    Full Text Available Objective This study investigated the effect of fermented biogas residue (FBR of wheat on the performance, serum biochemical parameters, and meat quality in pigs. Methods We selected 128 pigs (the mean initial body weight was 40.24±3.08 kg and randomly allocated them to 4 groups (1 control group and 3 treatment groups with 4 replicates per group and 8 pigs per pen in a randomized complete block design based on initial body weight and sex. The control group received a corn-soybean meal-based diet, the treatment group fed diets containing 5%, 10%, and 15% FBR, respectively (abbreviated as FBR5, FBR10, and FBR15, respectively. Every group received equivalent-energy and nitrogen diets. The test lasted 60 days and was divided into early and late stages. Blood and carcass samples were obtained on 60 d. Meat quality was collected from two pigs per pen. Results During the late stage, the average daily feed intake and average daily gain of the treatment groups was greater than that of the control group (p<0.05. During the entire experiment, the average daily gain of the treatment groups was higher than that of the control group (p<0.05. Fermented biomass residue did not significantly affect serum biochemical parameters or meat quality, but did affect amino acid profiles in pork. The contents of Asp, Arg, Tyr, Phe, Leu, Thr, Ser, Lys, Pro, Ala, essential amino acids, non-essential amino acids, and total amino acids in pork of FBR5 and FBR10 were greater than those of the control group (p<0.05. Conclusion These combined results suggest that feeding FBR could increase the average daily gain and average daily feed intake in pigs and the content of several flavor-promoting amino acids.

  4. Inertial parameters in the interacting boson fermion approximation

    International Nuclear Information System (INIS)

    Dukelsky, J.; Lima, C.

    1986-06-01

    The Hartree-Bose-Fermi and the adiabatic approximations are used to derive analytic formulas for the moment of inertia and the decoupling parameter of the interacting boson fermion approximation for deformed systems. These formulas are applied to the SU(3) dynamical symmetry, obtaining perfect agreement with the exact results. (Authors) [pt

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

    Science.gov (United States)

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

    2014-12-12

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

  6. The empirical residual proton-neutron interaction and the onset of collectivity in nuclei

    International Nuclear Information System (INIS)

    Casten, R.F.

    1991-01-01

    The critical role of the residual valence p-n interaction in the development and evolution of collectivity, and the onset of shape/phase transitions, is discussed from the standpoint of phenomenological approaches, and empirical extraction of individual p-n interaction strengths, and simple model calculation of them. 22 refs., 18 figs

  7. Residual correlation in two-proton interferometry from Λ-proton strong interactions

    International Nuclear Information System (INIS)

    Wang, Fuqiang

    1999-01-01

    We investigate the residual effect of Λp strong interactions in pp correlations with one proton from Λ decays. It is found that the residual correlation is about 10% of the Λp correlation strength, and has a broad distribution centered around q≅40 MeV/c. The residual correlation cannot explain the observed structure on the tail of the recently measured pp correlation function in central Pb+Pb collisions by NA49 at the Super Proton Synchrotron. (c) 1999 The American Physical Society

  8. Characterization of Residual Stress as a Function of Friction Stir Welding Parameters in ODS Steel MA956

    Science.gov (United States)

    2013-06-01

    dispersion strengthened - Eurofer steel ,” J. Nucl. Mater., vol. 416 , pp. 2229, Sep 1, 2011. [10] H. J. K. Lemmen and K. J. Sudmeijer, I, “Laser beam...Reynolds and W. Tang, “Structure, properties, and residual stress of 304L stainless steel friction stir welds,” Scr. Mater., vol. 48, pp. 12891294...OF RESIDUAL STRESS AS A FUNCTION OF FRICTION STIR WELDING PARAMETERS IN ODS STEEL MA956 by Martin S. Bennett June 2013 Thesis Advisor

  9. Standard test method for determining the effective elastic parameter for X-ray diffraction measurements of residual stress

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    1998-01-01

    1.1 This test method covers a procedure for experimentally determining the effective elastic parameter, Eeff, for the evaluation of residual and applied stresses by X-ray diffraction techniques. The effective elastic parameter relates macroscopic stress to the strain measured in a particular crystallographic direction in polycrystalline samples. Eeff should not be confused with E, the modulus of elasticity. Rather, it is nominally equivalent to E/(1 + ν) for the particular crystallographic direction, where ν is Poisson's ratio. The effective elastic parameter is influenced by elastic anisotropy and preferred orientation of the sample material. 1.2 This test method is applicable to all X-ray diffraction instruments intended for measurements of macroscopic residual stress that use measurements of the positions of the diffraction peaks in the high back-reflection region to determine changes in lattice spacing. 1.3 This test method is applicable to all X-ray diffraction techniques for residual stress measurem...

  10. 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.

  11. Structural and interaction parameters of thermosensitive native α-elastin biohybrid microgel

    Science.gov (United States)

    Balaceanu, Andreea; Singh, Smriti; Demco, Dan E.; Möller, Martin

    2014-09-01

    The structural and water interaction parameters for native, α-elastin biohybrid microgel crosslinked with hydrophilic and hydrophobic crosslinkers are obtained from the volume phase transition temperature behaviour, 1H high-resolution magic-angle sample spinning transverse magnetization relaxation NMR, and modified Flory-Rehner swelling theory. Firstly, considering a homogeneous morphology the number of subchains in the biohybrid microgel, the residual water in deswollen state as a function of crosslink density and the temperature dependence of the Flory biopolymer-water interaction parameters are reported for the biohybrid microgels prepared with hydrophilic (PEG-DGE) and hydrophobic (BS3) crosslinkers. The Flory-Rehner classical approach is subsequently modified taking into account the heterogeneities observed by NMR transverse relaxation measurements. Two differently mobile regions are determined, a hydrophobic domain and a crosslinking domain with relative reduced mobility. For the first time, the influence of chain mobility on the Flory interaction parameter is investigated through a modified Flory state equation. The contributions of amino-acids located in the hydrophobic and crosslinking domains in the polypeptide sequence are separated while analyzing the biopolymer-water interaction.

  12. Prediction of vitamin interacting residues in a vitamin binding protein using evolutionary information

    Directory of Open Access Journals (Sweden)

    Panwar Bharat

    2013-02-01

    Full Text Available Abstract Background The vitamins are important cofactors in various enzymatic-reactions. In past, many inhibitors have been designed against vitamin binding pockets in order to inhibit vitamin-protein interactions. Thus, it is important to identify vitamin interacting residues in a protein. It is possible to detect vitamin-binding pockets on a protein, if its tertiary structure is known. Unfortunately tertiary structures of limited proteins are available. Therefore, it is important to develop in-silico models for predicting vitamin interacting residues in protein from its primary structure. Results In this study, first we compared protein-interacting residues of vitamins with other ligands using Two Sample Logo (TSL. It was observed that ATP, GTP, NAD, FAD and mannose preferred {G,R,K,S,H}, {G,K,T,S,D,N}, {T,G,Y}, {G,Y,W} and {Y,D,W,N,E} residues respectively, whereas vitamins preferred {Y,F,S,W,T,G,H} residues for the interaction with proteins. Furthermore, compositional information of preferred and non-preferred residues along with patterns-specificity was also observed within different vitamin-classes. Vitamins A, B and B6 preferred {F,I,W,Y,L,V}, {S,Y,G,T,H,W,N,E} and {S,T,G,H,Y,N} interacting residues respectively. It suggested that protein-binding patterns of vitamins are different from other ligands, and motivated us to develop separate predictor for vitamins and their sub-classes. The four different prediction modules, (i vitamin interacting residues (VIRs, (ii vitamin-A interacting residues (VAIRs, (iii vitamin-B interacting residues (VBIRs and (iv pyridoxal-5-phosphate (vitamin B6 interacting residues (PLPIRs have been developed. We applied various classifiers of SVM, BayesNet, NaiveBayes, ComplementNaiveBayes, NaiveBayesMultinomial, RandomForest and IBk etc., as machine learning techniques, using binary and Position-Specific Scoring Matrix (PSSM features of protein sequences. Finally, we selected best performing SVM modules and

  13. Correcting binding parameters for interacting ligand-lattice systems

    Science.gov (United States)

    Hervy, Jordan; Bicout, Dominique J.

    2017-07-01

    Binding of ligands to macromolecules is central to many functional and regulatory biological processes. Key parameters characterizing ligand-macromolecule interactions are the stoichiometry, inducing the number of ligands per macromolecule binding site, and the dissociation constant, quantifying the ligand-binding site affinity. Both these parameters can be obtained from analyses of classical saturation experiments using the standard binding equation that offers the great advantage of mathematical simplicity but becomes an approximation for situations of interest when a ligand binds and covers more than one single binding site on the macromolecule. Using the framework of car-parking problem with latticelike macromolecules where each ligand can cover simultaneously several consecutive binding sites, we showed that employing the standard analysis leads to underestimation of binding parameters, i.e., ligands appear larger than they actually are and their affinity is also greater than it is. Therefore, we have derived expressions allowing to determine the ligand size and true binding parameters (stoichiometry and dissociation constant) as a function of apparent binding parameters retrieved from standard saturation experiments.

  14. Interaction between subdaily Earth rotation parameters and GPS orbits

    Science.gov (United States)

    Panafidina, Natalia; Seitz, Manuela; Hugentobler, Urs

    2013-04-01

    In processing GPS observations the geodetic parameters like station coordinates and ERPs (Earth rotation parameters) are estimated w.r.t. the celestial reference system realized by the satellite orbits. The interactions/correlations between estimated GPS orbis and other parameters may lead to numerical problems with the solution and introduce systematic errors in the computed values: the well known correlations comprise 1) the correlation between the orbital parameters determining the orientation of the orbital plane in inertial space and the nutation and 2) in the case of estimating ERPs with subdaily resolution the correlation between retrograde diurnal polar motion and nutation (and so the respective orbital elements). In this contribution we study the interaction between the GPS orbits and subdaily model for the ERPs. Existing subdaily ERP model recommended by the IERS comprises ~100 terms in polar motion and ~70 terms in Universal Time at diurnal and semidiurnal tidal periods. We use a long time series of daily normal equation systems (NEQ) obtaine from GPS observations from 1994 till 2007 where the ERPs with 1-hour resolution are transformed into tidal terms and the influence of the tidal terms with different frequencies on the estimated orbital parameters is considered. We found that although there is no algebraic correlation in the NEQ between the individual orbital parameters and the tidal terms, the changes in the amplitudes of tidal terms with periods close to 24 hours can be better accmodated by systematic changes in the orbital parameters than for tidal terms with other periods. Since the variation in Earth rotation with the period of siderial day (23.93h, tide K1) in terrestrial frame has in inertial space the same period as the period of revolution of GPS satellites, the K1 tidal term in polar motion is seen by the satellites as a permanent shift. The tidal terms with close periods (from ~24.13h to ~23.80h) are seen as a slow rotation of the

  15. Structural interface parameters are discriminatory in recognising near-native poses of protein-protein interactions.

    Directory of Open Access Journals (Sweden)

    Sony Malhotra

    Full Text Available Interactions at the molecular level in the cellular environment play a very crucial role in maintaining the physiological functioning of the cell. These molecular interactions exist at varied levels viz. protein-protein interactions, protein-nucleic acid interactions or protein-small molecules interactions. Presently in the field, these interactions and their mechanisms mark intensively studied areas. Molecular interactions can also be studied computationally using the approach named as Molecular Docking. Molecular docking employs search algorithms to predict the possible conformations for interacting partners and then calculates interaction energies. However, docking proposes number of solutions as different docked poses and hence offers a serious challenge to identify the native (or near native structures from the pool of these docked poses. Here, we propose a rigorous scoring scheme called DockScore which can be used to rank the docked poses and identify the best docked pose out of many as proposed by docking algorithm employed. The scoring identifies the optimal interactions between the two protein partners utilising various features of the putative interface like area, short contacts, conservation, spatial clustering and the presence of positively charged and hydrophobic residues. DockScore was first trained on a set of 30 protein-protein complexes to determine the weights for different parameters. Subsequently, we tested the scoring scheme on 30 different protein-protein complexes and native or near-native structure were assigned the top rank from a pool of docked poses in 26 of the tested cases. We tested the ability of DockScore to discriminate likely dimer interactions that differ substantially within a homologous family and also demonstrate that DOCKSCORE can distinguish correct pose for all 10 recent CAPRI targets.

  16. Genetic parameters for residual feed intake in a random population of Pekin duck

    Directory of Open Access Journals (Sweden)

    Yunsheng Zhang

    2017-02-01

    Full Text Available Objective The feed intake (FI and feed efficiency are economically important traits in ducks. To obtain insight into this economically important trait, we designed an experiment based on the residual feed intake (RFI and feed conversion ratio (FCR of a random population Pekin duck. Methods Two thousand and twenty pedigreed random population Pekin ducks were established from 90 males mated to 450 females in two hatches. Traits analyzed in the study were body weight at the 42th day (BW42, 15 to 42 days average daily gain (ADG, 15 to 42 days FI, 15 to 42 days FCR, and 15 to 42 days RFI to assess their genetic inter-relationships. The genetic parameters for feed efficiency traits were estimated using restricted maximum likelihood (REML methodology applied to a sire-dam model for all traits using the ASREML software. Results Estimates heritability of BW42, ADG, FI, FCR, and RFI were 0.39, 0.38, 0.33, 0.38, and 0.41, respectively. The genetic correlation was high between RFI and FI (0.77 and moderate between RFI and FCR (0.54. The genetic correlation was high and moderate between FCR and ADG (−0.80, and between FCR and BW42 (−0.64, and between FCR and FI (0.49, respectively. Conclusion Thus, selection on RFI was expected to improve feed efficiency, and reduce FI. Selection on RFI thus improves the feed efficiency of animals without impairing their FI and increase growth rate.

  17. Moisture removal of paddy by agricultural residues: basic physical parameters and drying kinetics modeling

    Directory of Open Access Journals (Sweden)

    Saniso, E.

    2007-05-01

    Full Text Available The objectives of this research were to study basic physical parameters of three agricultural residues that could be used for prediction of paddy drying kinetics using desiccants, to investigate a suitable methodfor moisture reduction of fresh paddy using 3 absorbents, and to modify the drying model of Inoue et al. for determining the evolution of moisture transfer during the drying period. Rice husk, sago palm rachis andcoconut husk were used as moisture desiccants in these experiments. From the results, it was concluded that the apparent density of all adsorbents was a linear function of moisture content whilst an equilibriummoisture content equation following Hendersonís model gave the best fit to the experimental results. From studying the relationship between moisture ratio and drying time under the condition of drying temperaturesof 30, 50 and 70oC, air flow rate of 1.6 m/s and initial moisture content of absorbents of 15, 20 and 27% dry-basis, it was shown that the moisture ratio decreased when drying time increased. In addition, thethin-layer desiccant drying equation following of the Page model can appropriately explain the evolution of moisture content of paddy over the drying time. The diffusion coefficient of all absorbents, which was in therange of 1x10-8 to 6x10-8 m2/h, was relatively dependent on drying temperature and inversely related to drying time. The diffusivity of coconut husk had the highest value compared to the other absorbents.The simulating modified mathematical model to determine drying kinetics of paddy using absorption technique and the simulated results had good relation to the experimental results for all adsorbents.

  18. Residual stress effects on the K parameter of the fracture mechanics

    International Nuclear Information System (INIS)

    Soares, Maria da Conceiccao B. Vieira; Andrade, Arnaldo H. Paes de

    1996-01-01

    Compressive residual stresses are beneficial and improve resistance to fracture and crack growth. Residual stresses can be introduced in fabricated components by a variety of means and a number of methods such as laser surface treatment, cold expanded hole, and shot peening. Neutrons diffraction measurements of residual stress were performed at a pulsed neutron source (ISIS, Didcot, UK), on shot peened plates of nickel base superalloy Udimet 720 and titanium alloy IMI 834. The stress intensity factor (K) of residual stress was evaluated by finite element modeling and weight function method. Finite element modeling of a 2D plate with a single edge-notch was applied and, due to symmetry only half of the plate was actually modeled. The stress intensity factor (K) was evaluated for both case of remote tension stress and residual stress. Crack surface overlapping, which is physically unacceptable, was noted for small cracks under residual and boundary lading. Overlap correction was proposed and applied in order to obtain reliable values for (K). (author)

  19. Size-density scaling in protists and the links between consumer-resource interaction parameters.

    Science.gov (United States)

    DeLong, John P; Vasseur, David A

    2012-11-01

    Recent work indicates that the interaction between body-size-dependent demographic processes can generate macroecological patterns such as the scaling of population density with body size. In this study, we evaluate this possibility for grazing protists and also test whether demographic parameters in these models are correlated after controlling for body size. We compiled data on the body-size dependence of consumer-resource interactions and population density for heterotrophic protists grazing algae in laboratory studies. We then used nested dynamic models to predict both the height and slope of the scaling relationship between population density and body size for these protists. We also controlled for consumer size and assessed links between model parameters. Finally, we used the models and the parameter estimates to assess the individual- and population-level dependence of resource use on body-size and prey-size selection. The predicted size-density scaling for all models matched closely to the observed scaling, and the simplest model was sufficient to predict the pattern. Variation around the mean size-density scaling relationship may be generated by variation in prey productivity and area of capture, but residuals are relatively insensitive to variation in prey size selection. After controlling for body size, many consumer-resource interaction parameters were correlated, and a positive correlation between residual prey size selection and conversion efficiency neutralizes the apparent fitness advantage of taking large prey. Our results indicate that widespread community-level patterns can be explained with simple population models that apply consistently across a range of sizes. They also indicate that the parameter space governing the dynamics and the steady states in these systems is structured such that some parts of the parameter space are unlikely to represent real systems. Finally, predator-prey size ratios represent a kind of conundrum, because they are

  20. Association of Parameters of Mineral Bone Disorder with Mortality in Patients on Hemodialysis according to Level of Residual Kidney Function.

    Science.gov (United States)

    Wang, Mengjing; Obi, Yoshitsugu; Streja, Elani; Rhee, Connie M; Lau, Wei Ling; Chen, Jing; Hao, Chuanming; Hamano, Takayuki; Kovesdy, Csaba P; Kalantar-Zadeh, Kamyar

    2017-07-07

    The relationship between mineral and bone disorders and survival according to residual kidney function status has not been previously studied in patients on hemodialysis. We hypothesized that residual kidney function, defined by renal urea clearance, modifies the association between mineral and bone disorder parameters and mortality. The associations of serum phosphorus, albumin-corrected calcium, intact parathyroid hormone, and alkaline phosphatase with all-cause mortality were examined across three strata (kidney function modified the mortality risk associated with serum phosphorus and intact parathyroid hormone among incident hemodialysis patients. Future studies are needed to examine whether taking account for residual kidney function into the assessment of mortality risk associated with serum phosphorus and intact parathyroid hormone improves patient management and clinical outcomes in the hemodialysis population. Copyright © 2017 by the American Society of Nephrology.

  1. Ultra-intense laser-matter interactions at extreme parameters

    International Nuclear Information System (INIS)

    Hegellich, Bjorn M.

    2010-01-01

    The field of shortpulse lasers has seen rapid growth in the recent years with the three major boundaries of energy, pulse duration and repetition rate being pushed in ever extremer regions. At peak powers, already exceeding 10 22 W/cm 2 , in virtually every experiment in relativistic laser physics, the laser pulse interacts with a more or less extended and heated plasma, due to prepulses and ASE-like pedestals on ps - ns time scales. By developing a new technique for ultrahigh contrast, we were able to initiate the next paradigm shift in relativistic laser-matter interactions, allowing us to interact ultrarelativistic pulses volumetrically with overdense targets. This becomes possible by using target and laser parameters that will turn the target relativistically transparent during the few 10s-100s femtoseconds fo the interaction. Specifically, we interact an ultraintese, ultrahigh contrast pulse with solid density, free standing, nanometer diamond target. This paradigm change towards a volumetric overdense interaction in turn enables new particle acceleration mechanisms for both electrons and ions, as well as forward directed relativistic surface harmonics. We report here on first experiments done on those topics at the 200 TW Trident laser at Los Alamos as well as at the Ti:Sapphire system at MBI. We will compare the experimental data to massive large scale 3D simulations done on the prototype of LANL's new Petafiop supercomputer Roadrunner, which is leading the current top 500 list. Specifically, we developed a shortpulse OPA based pulse cleaning technique. Fielding it at the Trident 200 TW laser at Los Alamos, we were able to improve the pulse contrast by 6 orders of magnitude to better than 2 x 10 -12 at less than a ps. This enabled for the first time the interaction of a 100J, 200TW laser pulse with a truly solid target with virtually no expansion before the main pulse - target interaction, making possible the use of very thin targets, The thinnest of these

  2. Life cycle assessment and residue leaching: The importance of parameter, scenario and leaching data selection

    DEFF Research Database (Denmark)

    Allegrini, Elisa; Butera, Stefania; Kosson, D.S.

    2015-01-01

    of systems and products and can be applied to waste management systems to identify environmental benefits and critical aspects thereof. From an LCA perspective, residue utilisation provides benefits such as avoiding the production and depletion of primary materials, but it can lead to environmental burdens......Residues from industrial processes and waste management systems (WMSs) have been increasingly reutilised, leading to landfilling rate reductions and the optimisation of mineral resource utilisation in society. Life cycle assessment (LCA) is a holistic methodology allowing for the analysis......, due to the potential leaching of toxic substances. In waste LCA studies where residue utilisation is included, leaching has generally been neglected. In this study, municipal solid waste incineration bottom ash (MSWI BA) was used as a case study into three LCA scenarios having different system...

  3. Treatment of waste incinerator air-pollution-control residues with FeSO4: Laboratory investigation of design parameters

    DEFF Research Database (Denmark)

    Jensen, Dorthe Lærke; Christensen, Thomas Højlund; Lundtorp, Kasper

    2002-01-01

    supplied, the liquid-to-solid ratio of the process, the separation of solids and wastewater, the sequence of material mixing, the possibilities of reuse of water, the feasibility of using secondary (brackish) water, and simple means to improve the wastewater quality. The investigation showed...... that an optimum process configuration could be obtained yielding a stabilised solid product with low leaching of heavy metals and a dischargable wastewater with high contents of salts (in order to remove salts from the solid product) and low concentrations of heavy metals. The amount of iron added to the APC......The key design parameters of a new process for treatment of air-pollution-control (APC) residues (the Ferroxprocess) were investigated in the laboratory. The optimisation involved two different APC-residues from actual incinerator plants. The design parameters considered were: amount of iron oxide...

  4. Pyrolysis kinetics and thermodynamic parameters of castor (Ricinus communis) residue using thermogravimetric analysis.

    Science.gov (United States)

    Kaur, Ravneet; Gera, Poonam; Jha, Mithilesh Kumar; Bhaskar, Thallada

    2018-02-01

    Castor plant is a fast-growing, perennial shrub from Euphorbiaceae family. More than 50% of the residue is generated from its stems and leaves. The main aim of this work is to study the pyrolytic characteristics, kinetics and thermodynamic properties of castor residue. The TGA experiments were carried out from room temperature to 900 °C under an inert atmosphere at different heating rates of 5, 10, 15, 20, 30 and 40 °C/min. The kinetic analysis was carried using different models namely Kissinger, Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunose (KAS). The average E ɑ calculated by FWO and KAS methods were 167.10 and 165.86 kJ/mole respectively. Gibbs free energy varied from 150.62-154.33 to 150.59-154.65 kJ/mol for FWO and KAS respectively. The HHV of castor residue was 14.43 MJ/kg, considered as potential feedstock for bio-energy production. Kinetic and thermodynamic results will be useful input for the design of pyrolytic process using castor residue as feedstock. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Energy dependence of radiation interaction parameters of some organic compounds

    Science.gov (United States)

    Singh, Mohinder; Tondon, Akash; Sandhu, B. S.; Singh, Bhajan

    2018-04-01

    Gamma rays interact with a material through photoelectric absorption, Compton scattering, Rayleigh scattering and Pair production in the intermediate energy range. The probability of occurrence of a particular type of process depends on the energy of incident gamma rays, atomic number of the material, scattering angle and geometrical conditions. Various radiological parameters for organic compounds, namely ethylene glycol (C2H6O2), propylene glycol (C3H8O2), glycerin (C3H8O3), isoamyl alcohol (C5H12O), butanone (C4H8O), acetophenone (C8H8O2), cyclohexanone (C6H10O), furfural (C5H4O2), benzaldehyde (C7H6O), cinnamaldehyde (C9H8O), glutaraldehyde (C5H8O2), aniline (C6H7N), benzyl amine (C6H7N), nitrobenzene (C6H5NO2), ethyl benzene (C8H10), ethyl formate (C3H6O2) and water (H2O) are presented at 81, 122, 356 and 511 keV energies employing NaI(Tl) scintillation detector in narrow-beam transmission geometry. The radiation interaction parameters such as mass attenuation, molar extinction and mass energy absorption coefficients, half value layer, total atomic and effective electronic cross-sections and CT number have been evaluated for these organic compounds. The general trend of values of mass attenuation coefficients, half value layer, molar extinction coefficients, total atomic and effective electronic cross-sections and mass energy absorption coefficients shows a decrease with increase in incident gamma photon energy. The values of CT number are found to increases linearly with increase of effective atomic number (Zeff). The variation in CT number around Zeff ≈ 3.3 shows the peak like structure with respect to water and the correlation between CT number and linear attenuation coefficient is about 0.99. Appropriate equations are fitted to these experimentally determined parameters for the organic compounds at incident photon energy ranging from 81 keV to 511 keV used in the present study. Experimental values are compared with the theoretical data obtained using Win

  6. Conserved residues of the human mitochondrial holocytochrome c synthase mediate interactions with heme.

    Science.gov (United States)

    Babbitt, Shalon E; San Francisco, Brian; Bretsnyder, Eric C; Kranz, Robert G

    2014-08-19

    C-type cytochromes are distinguished by the covalent attachment of a heme cofactor, a modification that is typically required for its subsequent folding, stability, and function. Heme attachment takes place in the mitochondrial intermembrane space and, in most eukaryotes, is mediated by holocytochrome c synthase (HCCS). HCCS is the primary component of the eukaryotic cytochrome c biogenesis pathway, known as System III. The catalytic function of HCCS depends on its ability to coordinate interactions between its substrates: heme and cytochrome c. Recent advancements in the recombinant expression and purification of HCCS have facilitated comprehensive analyses of the roles of conserved residues in HCCS, as demonstrated in this study. Previously, we proposed a four-step model describing HCCS-mediated cytochrome c assembly, identifying a conserved histidine residue (His154) as an axial ligand to the heme iron. In this study, we performed a systematic mutational analysis of 17 conserved residues in HCCS, and we provide evidence that the enzyme contains two heme-binding domains. Our data indicate that heme contacts mediated by residues within these domains modulate the dynamics of heme binding and contribute to the stability of the HCCS-heme-cytochrome c steady state ternary complex. While some residues are essential for initial heme binding (step 1), others impact the subsequent release of the holocytochrome c product (step 4). Certain HCCS mutants that were defective in heme binding were corrected for function by exogenous aminolevulinic acid (ALA, the precursor to heme). This chemical "correction" supports the proposed role of heme binding for the corresponding residues.

  7. gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations.

    Science.gov (United States)

    Serçinoglu, Onur; Ozbek, Pemra

    2018-05-25

    Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming to identify interactions between individual amino acid residues and the role played by each in the context of MD simulations, we present a stand-alone software called gRINN (get Residue Interaction eNergies and Networks). gRINN features graphical user interfaces (GUIs) and a command-line interface for generating and analyzing pairwise residue interaction energies and energy correlations from protein MD simulation trajectories. gRINN utilizes the features of NAMD or GROMACS MD simulation packages and automatizes the steps necessary to extract residue-residue interaction energies from user-supplied simulation trajectories, greatly simplifying the analysis for the end-user. A GUI, including an embedded molecular viewer, is provided for visualization of interaction energy time-series, distributions, an interaction energy matrix, interaction energy correlations and a residue correlation matrix. gRINN additionally offers construction and analysis of Protein Energy Networks, providing residue-based metrics such as degrees, betweenness-centralities, closeness centralities as well as shortest path analysis. gRINN is free and open to all users without login requirement at http://grinn.readthedocs.io.

  8. Effects of induction heating parameters on controlling residual stress in intermediate size pipes

    International Nuclear Information System (INIS)

    Rybicki, E.F.; McGuire, P.A.

    1981-01-01

    Induction heating for stress improvement (IHSI) is a method for reducing the tensile weld induced stresses on the inner surfaces of the girth welded pipes. The process entails inductively heating the outside of a welded pipe while cooling the inner surface with flowing water. A 10-inch schedule 80 Type 304 stainless steel pipe was selected for this study. Residual stresses due to welding were first determined using a finite element computational model. 26 refs

  9. Development of computer program ENMASK for prediction of residual environmental masking-noise spectra, from any three independent environmental parameters

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Y.-S.; Liebich, R. E.; Chun, K. C.

    2000-03-31

    Residual environmental sound can mask intrusive4 (unwanted) sound. It is a factor that can affect noise impacts and must be considered both in noise-impact studies and in noise-mitigation designs. Models for quantitative prediction of sensation level (audibility) and psychological effects of intrusive noise require an input with 1/3 octave-band spectral resolution of environmental masking noise. However, the majority of published residual environmental masking-noise data are given with either octave-band frequency resolution or only single A-weighted decibel values. A model has been developed that enables estimation of 1/3 octave-band residual environmental masking-noise spectra and relates certain environmental parameters to A-weighted sound level. This model provides a correlation among three environmental conditions: measured residual A-weighted sound-pressure level, proximity to a major roadway, and population density. Cited field-study data were used to compute the most probable 1/3 octave-band sound-pressure spectrum corresponding to any selected one of these three inputs. In turn, such spectra can be used as an input to models for prediction of noise impacts. This paper discusses specific algorithms included in the newly developed computer program ENMASK. In addition, the relative audibility of the environmental masking-noise spectra at different A-weighted sound levels is discussed, which is determined by using the methodology of program ENAUDIBL.

  10. 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.

  11. Near target residues from the peripheral interaction of relativistic heavy ions with bismuth

    International Nuclear Information System (INIS)

    Aleklett, K.; Morrissey, D.J.; Loveland, W.; Moody, K.; Seaborg, G.T.

    1979-01-01

    Isotopic distributions for the near target residues Au and Tl were measured radioanalytically for the reaction of 8.0-GeV 20 Ne ions with 209 Bi. The isotopic production cross section for Au and Tl isotopes were calculated by using a macroscopic abrasion-ablation model and a microscopic intranuclear cascade-evaporation model. The importance of the neutron skin in determining the yield of these products from the peripheral interactions was also explored in the framework of the macroscopic model. 3 figures

  12. Residual waters treatment by heterogeneous photocatalysis: a study of experimental parameters applied to the photoelectrocatalysis

    Directory of Open Access Journals (Sweden)

    Henrique de Santana

    2006-02-01

    Full Text Available In this paper, the use of electrochemically-assisted heterogeneous photo-catalysis will be discussed. Several operational parameters will also be discussed, in order to achieve optimum efficiency of this photo-degradation system, such as: the influence of variables as support electrolyte, applied potential, dye initial concentration, pH and choice of a UV source on dye degradation.

  13. Variation of different humification parameters during two composting types with lignicellulosics residual of roses

    International Nuclear Information System (INIS)

    Farias Camero, Diana Maria; Ballesteros G, Maria Ines; Bendeck L, Myriam

    2000-01-01

    Two composting processes were carried out; they lasted for about 165 days. In one of the processes only microorganisms performed the decomposition of the material only (direct composting) and in the other one by microorganisms and earthworms -Eisenia foetida- (indirect composting) Periodical samples were taken from different places of the pile and a temperature control was made weekly. Organic total carbon was analyzed in each sample, an organic matter extraction and fractionation was carried out with a mixture 1 M sodium hydroxide and 1M-sodium pyrophosphate in each sample too. Organic total carbon was quantified in the separated fractions, humic extract, humic acids, fulvic acids and humines; different humification parameters were calculated as of those results: Humification ratio, humification index, polymerization ratio, percentage of humic acids and no extractable organic carbon -extractable carbon ratio. E4/E6 ratio, oxygen, hydrogen, nitrogen and carbon content, C/H, C/O and C/N ratios were analyzed on humic acids. Humification parameters variation allows us to analyze the humic substances transformation and formation dynamics are limited by composting system and temperature generated and maintained. It was established that extractable carbon percent and CNoExt/Cext ratio cannot be considered as satisfactory parameters in order to evaluate the stabilization compost degree; polymerization ratio and humification index are the most adequate parameters to determinate the material humification degree

  14. Parameter Recovery for the 1-P HGLLM with Non-Normally Distributed Level-3 Residuals

    Science.gov (United States)

    Kara, Yusuf; Kamata, Akihito

    2017-01-01

    A multilevel Rasch model using a hierarchical generalized linear model is one approach to multilevel item response theory (IRT) modeling and is referred to as a one-parameter hierarchical generalized linear logistic model (1-P HGLLM). Although it has the flexibility to model nested structure of data with covariates, the model assumes the normality…

  15. Modulating Transmembrane α-Helix Interactions through pH-Sensitive Boundary Residues.

    Science.gov (United States)

    Ng, Derek P; Deber, Charles M

    2016-08-09

    Changes in pH can alter the structure and activity of proteins and may be used by the cell to control molecular function. This coupling can also be used in non-native applications through the design of pH-sensitive biomolecules. For example, the pH (low) insertion peptide (pHLIP) can spontaneously insert into a lipid bilayer when the pH decreases. We have previously shown that the α-helicity and helix-helix interactions of the TM2 α-helix of the proteolipid protein (PLP) are sensitive to the local hydrophobicity at its C-terminus. Given that there is an ionizable residue (Glu-88) at the C-terminus of this transmembrane (TM) segment, we hypothesized that changing the ionization state of this residue through pH may alter the local hydrophobicity of the peptide enough to affect both its secondary structure and helix-helix interactions. To examine this phenomenon, we synthesized peptide analogues of the PLP TM2 α-helix (wild-type sequence (66)AFQYVIYGTASFFFLYGALLLAEGF(90)). Using circular dichroism and Förster resonance energy transfer in the membrane-mimetic detergent sodium dodecyl sulfate, we found that a decrease in pH increases both peptide α-helicity and the extent of self-association. This pH-dependent effect is due specifically to the presence of Glu-88 at the C-terminus. Additional experiments in which Phe-90 was mutated to residues of varying hydrophobicities indicated that the strength of this effect is dependent on the local hydrophobicity near Glu-88. Our results have implications for the design of TM peptide switches and improve our understanding of how membrane protein structure and activity can be regulated through local molecular environmental changes.

  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. Model parameter estimations from residual gravity anomalies due to simple-shaped sources using Differential Evolution Algorithm

    Science.gov (United States)

    Ekinci, Yunus Levent; Balkaya, Çağlayan; Göktürkler, Gökhan; Turan, Seçil

    2016-06-01

    An efficient approach to estimate model parameters from residual gravity data based on differential evolution (DE), a stochastic vector-based metaheuristic algorithm, has been presented. We have showed the applicability and effectiveness of this algorithm on both synthetic and field anomalies. According to our knowledge, this is a first attempt of applying DE for the parameter estimations of residual gravity anomalies due to isolated causative sources embedded in the subsurface. The model parameters dealt with here are the amplitude coefficient (A), the depth and exact origin of causative source (zo and xo, respectively) and the shape factors (q and ƞ). The error energy maps generated for some parameter pairs have successfully revealed the nature of the parameter estimation problem under consideration. Noise-free and noisy synthetic single gravity anomalies have been evaluated with success via DE/best/1/bin, which is a widely used strategy in DE. Additionally some complicated gravity anomalies caused by multiple source bodies have been considered, and the results obtained have showed the efficiency of the algorithm. Then using the strategy applied in synthetic examples some field anomalies observed for various mineral explorations such as a chromite deposit (Camaguey district, Cuba), a manganese deposit (Nagpur, India) and a base metal sulphide deposit (Quebec, Canada) have been considered to estimate the model parameters of the ore bodies. Applications have exhibited that the obtained results such as the depths and shapes of the ore bodies are quite consistent with those published in the literature. Uncertainty in the solutions obtained from DE algorithm has been also investigated by Metropolis-Hastings (M-H) sampling algorithm based on simulated annealing without cooling schedule. Based on the resulting histogram reconstructions of both synthetic and field data examples the algorithm has provided reliable parameter estimations being within the sampling limits of

  18. A proposal of parameter determination method in the residual strength degradation model for the prediction of fatigue life (I)

    International Nuclear Information System (INIS)

    Kim, Sang Tae; Jang, Seong Soo

    2001-01-01

    The static and fatigue tests have been carried out to verify the validity of a generalized residual strength degradation model. And a new method of parameter determination in the model is verified experimentally to account for the effect of tension-compression fatigue loading of spheroidal graphite cast iron. It is shown that the correlation between the experimental results and the theoretical prediction on the statistical distribution of fatigue life by using the proposed method is very reasonable. Furthermore, it is found that the correlation between the theoretical prediction and the experimental results of fatigue life in case of tension-tension fatigue data in composite material appears to be reasonable. Therefore, the proposed method is more adjustable in the determination of the parameter than maximum likelihood method and minimization technique

  19. Systematic Review of Uit Parameters on Residual Stresses of Sensitized AA5456 and Field Based Residual Stress Measurements for Predicting and Mitigating Stress Corrosion Cracking

    Science.gov (United States)

    2014-03-01

    University Press, 2009, pp. 820–824. [30] S. Kou, Welding Metallurgy , 2nd ed. Hoboken, NJ: John Wiley and Sons, Inc., 2003. [31] M. N.James et al...around welds in aluminum ship structures both in the laboratory and in the field. Tensile residual stresses are often generated during welding and, in...mitigate and even reverse these tensile residual stresses. This research uses x-ray diffraction to measure residual stresses around welds in AA5456 before

  20. Reexploration of interacting holographic dark energy model. Cases of interaction term excluding the Hubble parameter

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hai-Li; Zhang, Jing-Fei; Feng, Lu [Northeastern University, Department of Physics, College of Sciences, Shenyang (China); Zhang, Xin [Northeastern University, Department of Physics, College of Sciences, Shenyang (China); Peking University, Center for High Energy Physics, Beijing (China)

    2017-12-15

    In this paper, we make a deep analysis for the five typical interacting holographic dark energy models with the interaction terms Q = 3βH{sub 0}ρ{sub de}, Q = 3βH{sub 0}ρ{sub c}, Q = 3βH{sub 0}(ρ{sub de} + ρ{sub c}), Q = 3βH{sub 0}√(ρ{sub de}ρ{sub c}), and Q = 3βH{sub 0}(ρ{sub de}ρ{sub c})/(ρ{sub de}+ρ{sub c}), respectively. We obtain observational constraints on these models by using the type Ia supernova data (the Joint Light-Curve Analysis sample), the cosmic microwave background data (Planck 2015 distance priors), the baryon acoustic oscillations data, and the direct measurement of the Hubble constant. We find that the values of χ{sub min}{sup 2} for all the five models are almost equal (around 699), indicating that the current observational data equally favor these IHDE models. In addition, a comparison with the cases of an interaction term involving the Hubble parameter H is also made. (orig.)

  1. Emergent Learning and Interactive Media Artworks: Parameters of Interaction for Novice Groups

    Directory of Open Access Journals (Sweden)

    Marta Kawka

    2011-11-01

    Full Text Available Emergent learning describes learning that occurs when participants interact and distribute knowledge, where learning is self-directed, and where the learning destination of the participants is largely unpredictable (Williams, Karousou, & Mackness, 2011. These notions of learning arise from the topologies of social networks and can be applied to the learning that occurs in educational institutions. However, the question remains whether institutional frameworks can accommodate the opposing notion of “cooperative systems” (Shirky, 2005, systems that facilitate the creation of user-generated content, particularly as first-year education cohorts are novice groups in the sense of not yet having developed university-level knowledge.This paper theorizes an emergent learning assessment item (Flickr photo-narratives within a first-year media arts undergraduate education course. It challenges the conventional models of student–lecturer interaction by outlining a methodology of teaching for emergence that will facilitate student-directed and open-ended learning. The paper applies a matrix with four parameters (teacher-directed content/student-directed content; non-interactive learning task/interactive learning framework. This matrix is used as a conceptual space within which to investigate how a learning task might be constructed to afford the best opportunities for emergent learning. It explores the strategies that interactive artists utilize for participant engagement (particularly the relationship between the artist and the audience in the creation of interactive artworks and suggests how these strategies might be applied to emergent generative outcomes with first-year education students.We build upon Williams et al.’s framework of emergent learning, where “content will not be delivered to learners but co-constructed with them” (De Freitas & Conole, as cited in Williams et al., 2011, p. 40, and the notion that in constructing emergent

  2. Effects of glass composition on the residual rate of alteration and modelling parameters

    International Nuclear Information System (INIS)

    Fleury, Benjamin

    2013-01-01

    This PhD thesis deals with the long-term behavior of the French nuclear glasses R7T7. An experiment plan (based on 27 glass compositions) is developed for studying the effect of glass composition on the residual rate of alteration. The impact of Mg-phase precipitation on glass alteration is also studied and several modelling exercises are performed. There is one order of magnitude between the different measurements (rate or pH...) associated with the different glass compositions. The statistical treatment of these measurements results in predictive equations and several observable trends are valid for all materials with a composition complying with the experiment plan conditions. The effect of Si, Na, B and Al on alteration (.i.e, gel and secondary phase's formation, pH) is confirmed, the influence of Zn, Zr and Ni-Co is evidenced. The role of Cr has to be clarified. Experiments show that glass alteration rate in underground water, which contains high level of Ca and Mg, is one order of magnitude higher than in the case of pure water. The glass composition plays the same role for the alteration in the two types of solution. During alteration, the late addition of Mg introduces a time lag in the resumption response because silicon is first provided from partial dissolution of the previously-formed alteration gel. The nucleation process does not limit Mg-silicate precipitation whereas a pH above 8-8.5 is necessary for Mg-silicate precipitation. The glass alteration rate can be a limiting factor if the quantity of Mg supplied to the reaction is enough. The Mg silicate phase seems to have systematically a molar ratio Mg/Si between 0.2 and 0.4. It is also shown that the air tightness of the reactor influences the rate of dissolution of CO 2 in the solution leading to a decrease of pH. Finally, modelling exercises with GRAAL show promising results. Such modelling is required in order to extend the prediction of the long-term alteration behavior to different glass

  3. Compost mixture influence of interactive physical parameters on microbial kinetics and substrate fractionation.

    Science.gov (United States)

    Mohajer, Ardavan; Tremier, Anne; Barrington, Suzelle; Teglia, Cecile

    2010-01-01

    Composting is a feasible biological treatment for the recycling of wastewater sludge as a soil amendment. The process can be optimized by selecting an initial compost recipe with physical properties that enhance microbial activity. The present study measured the microbial O(2) uptake rate (OUR) in 16 sludge and wood residue mixtures to estimate the kinetics parameters of maximum growth rate mu(m) and rate of organic matter hydrolysis K(h), as well as the initial biodegradable organic matter fractions present. The starting mixtures consisted of a wide range of moisture content (MC), waste to bulking agent (BA) ratio (W/BA ratio) and BA particle size, which were placed in a laboratory respirometry apparatus to measure their OUR over 4 weeks. A microbial model based on the activated sludge process was used to calculate the kinetic parameters and was found to adequately reproduced OUR curves over time, except for the lag phase and peak OUR, which was not represented and generally over-estimated, respectively. The maximum growth rate mu(m), was found to have a quadratic relationship with MC and a negative association with BA particle size. As a result, increasing MC up to 50% and using a smaller BA particle size of 8-12 mm was seen to maximize mu(m). The rate of hydrolysis K(h) was found to have a linear association with both MC and BA particle size. The model also estimated the initial readily biodegradable organic matter fraction, MB(0), and the slower biodegradable matter requiring hydrolysis, MH(0). The sum of MB(0) and MH(0) was associated with MC, W/BA ratio and the interaction between these two parameters, suggesting that O(2) availability was a key factor in determining the value of these two fractions. The study reinforced the idea that optimization of the physical characteristics of a compost mixture requires a holistic approach. 2010 Elsevier Ltd. All rights reserved.

  4. Effects of the residual proton-neutron interaction in the development of collectivity in nuclei

    International Nuclear Information System (INIS)

    Casten, R.F.

    1990-01-01

    The widespread effects of the residual T=0 proton-neutron (p-n) interaction in the evolution of nuclear structure are discussed. Although these effects in inducing single nucleon configuration mixing, and hence in the development of non-spherical nuclear shapes, collectivity, and the associated shape and phase transitions have been known for four decades, it is only in recent years that their deep ramifications have become more fully appreciated. This had led to a unified phenomenological understanding of the role of the p-n interaction in nuclear collectivity and to, for example, the proposal of the N p N n scheme and the associated concept of the P factor, which is a normalized value of N p N n reflecting the average number of p-n interactions per valence nucleon. Simultaneously, experimentally-determined p-n matrix elements for many nuclei have been extracted: they disclose striking anomalies for N=Z nuclei, and intriguing microstructure. These developments and empirical results will be discussed along with microscopic calculations that can be used to interpret them. 18 refs., 13 figs

  5. Three- and five-quasiparticle isomers, rotational bands and residual interactions in 175Hf

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Walker, P.M.

    1980-03-01

    Two 3-quasiparticle isomers with spins, parities and half lives of 19/2 + , 1.1 μ and 23/2 - , 1.2 ns have been identified at 1433 and 1766 keV in 175 Hf. A third isomer possibly 35/2 - with a 1.2 μs half-life is found at 3015 keV. The first two are characterised as a 7/2 + (633) neutron coupled to the known 6 + and 8 - 2-proton isomers of the core nuclei. Rotational bands based on the 3-qp isomers are highly perturbed, due to Coriolis mixing, and their structure is reproduced in a band mixing calculation. The energy depression of the 3-quasiparticle states relative to the 2-quasiproton core states is attributed mainly to the residual proton-neutron interaction, and possibly also to blocking effects through neutron admixtures

  6. Subnanomolar Inhibitor of Cytochrome bc1 Complex Designed via Optimizing Interaction with Conformationally Flexible Residues

    Science.gov (United States)

    Zhao, Pei-Liang; Wang, Le; Zhu, Xiao-Lei; Huang, Xiaoqin; Zhan, Chang-Guo; Wu, Jia-Wei; Yang, Guang-Fu

    2009-01-01

    Cytochrome bc1 complex (EC 1.10.2.2, bc1), an essential component of the cellular respiratory chain and the photosynthetic apparatus in photosynthetic bacteria, has been identified as a promising target for new drugs and agricultural fungicides. X-ray diffraction structures of the free bc1 complex and its complexes with various inhibitors revealed that the phenyl group of Phe274 in the binding pocket exhibited significant conformational flexibility upon different inhibitors binding to optimize respective π-π interactions, whereas the side chains of other hydrophobic residues showed conformational stability. Therefore, in the present study, a strategy of optimizing the π-π interaction with conformationally flexible residues was proposed to design and discover new bc1 inhibitors with a higher potency. Eight new compounds were designed and synthesized, among which compound 5c with a Ki value of 570 pM was identified as the most promising drug or fungicide candidate, significantly more potent than the commercially available bc1 inhibitors including azoxystrobin (AZ), kresoxim-methyl (KM), and pyraclostrobin (PY). To our knowledge, this is the first bc1 inhibitor discovered from structure-based design with a potency of subnanomolar Ki value. For all of the compounds synthesized and assayed, the calculated binding free energies correlated reasonably well with the binding free energies derived from the experimental Ki values with a correlation coefficient of r2 = 0.89. The further inhibitory kinetics studies revealed that compound 5c is a non-competitive inhibitor with respect to substrate cytochrome c, but is a competitive inhibitor with respect to substrate ubiquinol. Due to its subnanomolar Ki potency and slow dissociation rate constant (k−0 = 0.00358 s−1), compound 5c could be used as a specific probe for further elucidation of the mechanism of bc1 function and as a new lead compound for future drug discovery. PMID:19928849

  7. Measurement of strong interaction parameters in antiprotonic hydrogen and deuterium

    CERN Document Server

    Augsburger, M A; Borchert, G L; Chatellard, D; Egger, J P; El-Khoury, P; Gorke, H; Gotta, D; Hauser, P R; Indelicato, P J; Kirch, K; Lenz, S; Siems, T; Simons, L M

    1999-01-01

    In the PS207 experiment at CERN, X-rays from antiprotonic hydrogen and deuterium have been measured at low pressure. The strong interaction shift and the broadening of the K/sub alpha / transition in antiprotonic hydrogen were $9 determined. Evidence was found for the individual hyperfine components of the protonium ground state. (7 refs).

  8. The impact parameter dependence of swift electron-matter interactions

    International Nuclear Information System (INIS)

    Ritchie, R.H.

    1988-01-01

    In quantal collision theories, momentum and energy are usually taken to be good quantal variables. Classical collision theory, on the other hand, uses position and time to describe interactions between a probe and a target. In modern physics one may wish to express quantal theories in terms of spacelike variables. For example, experiments are now common in which one measures, by means of a narrowly focused beam of swift electrons, the distribution in energy of losses experienced in a very small region of space. Also, in experiments with channeled ions, and in microdosimetry, one is interested in the spatial coherence of unlocalized excitations created by swift ions and electrons, and their ultimate localization through transfer of energy to, e.g., single-particle excitations. In this lecture the author describes work, done in part in collaboration with Professor Howie, on some aspects of the spatial dependence of inelastic interactions between a charged particle and a condensed matter target. 6 refs., 1 fig

  9. Estimation of atomic interaction parameters by photon counting

    DEFF Research Database (Denmark)

    Kiilerich, Alexander Holm; Mølmer, Klaus

    2014-01-01

    Detection of radiation signals is at the heart of precision metrology and sensing. In this article we show how the fluctuations in photon counting signals can be exploited to optimally extract information about the physical parameters that govern the dynamics of the emitter. For a simple two......-level emitter subject to photon counting, we show that the Fisher information and the Cram\\'er- Rao sensitivity bound based on the full detection record can be evaluated from the waiting time distribution in the fluorescence signal which can, in turn, be calculated for both perfect and imperfect detectors...

  10. Virtual Instruments for the Circuit Analysis with Interactive Parameter Modification

    Directory of Open Access Journals (Sweden)

    Eberhard Stefan Brenner

    2006-08-01

    Full Text Available Abstract—The contribution presents the possibilities of LabVIEW in the special application as formula interpreter by using of the formula node. The main advantage is the immediate presentation of results in case of a parameter modification. The presentation of the time behaviour, the calculation of characteristic values and curves for typical examples of power electronics and control engineering are shown. Index Terms—Education; Formula Interpretation; LabVIEW; Power Electronics; Virtual Instruments

  11. Microscopic calculation of the Majorana parameters of the interacting boson model for the Hg isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Druce, C.H.; Barrett, B.R. (Arizona Univ., Tucson (USA). Dept. of Physics); Pittel, S. (Delaware Univ., Newark (USA). Bartol Research Foundation); Duval, P.D. (BEERS Associates, Reston, VA (USA))

    1985-07-11

    The parameters of the Majorana interaction of the neutron-proton interacting boson model are calculated for the Hg isotopes. The calculations utilize the Otsuka-Arima-Iachello mapping procedure and also lead to predictions for the other boson parameters. The resulting spectra are compared with experimental spectra and those obtained from phenomenological fits.

  12. Microscopic calculation of the Majorana parameters of the interacting boson model for the Hg isotopes

    Science.gov (United States)

    Druce, C. H.; Pittel, S.; Barrett, B. R.; Duval, P. D.

    1985-07-01

    The parameters of the Majorana interaction of the neutron-proton interacting boson model are calculated for the Hg isotopes. The calculations utilize the Otsuka-Arima-Iachello mapping procedure and also lead to predictions for the other boson parameters. The resulting spectra are compared with experimental spectra and those obtained from phenomenological fits.

  13. Influence of process parameters and biomass characteristics on the durability of pellets from the pruning residues of Olea europaea L.

    Energy Technology Data Exchange (ETDEWEB)

    Carone, Maria Teresa; Pantaleo, Antonio; Pellerano, Achille [Department of Engineering and Management of the Agricultural, Livestock and Forest Systems, Faculty of Agriculture, University of Bari, Via Amendola, 165/A, 70126 Bari (Italy)

    2011-01-15

    The present work aims to investigate the influence of the main process parameters (pressure and temperature) and biomass characteristics (moisture content and particle size) on some mechanical properties (density and durability) of olive tree pruning residues pellets. By means of a lab scale pellet press, able to control process parameters, the biomass, ground with three different hammer mill screen sizes (1, 2 and 4 mm) and conditioned at different moisture contents (5, 10, 15 and 20% w.b.), was pelletized at various process temperatures (60, 90, 120 and 150 C) and pressures (71, 106, 141 and 176 MPa). Compressed sample dimensions and mass were measured in order to calculate pellet density, while compressive strength tests were carried out to estimate the durability of the final biofuel. The relationships between the factor settings and the responses (density, compression strength and modulus of elasticity) were examined by univariate and multivariate statistical analysis. Temperature resulted the most important variable influencing pellet mechanical properties, followed by the initial moisture content and the particle size of the raw material. In particular, high process temperature, low moisture contents and reduced particle sizes allowed obtaining good quality pellets. The effect of compression force resulted scarcely relevant. (author)

  14. Bead-bead interaction parameters in dissipative particle dynamics: Relation to bead-size, solubility parameter, and surface tension

    Science.gov (United States)

    Maiti, Amitesh; McGrother, Simon

    2004-01-01

    Dissipative particle dynamics (DPD) is a mesoscale modeling method for simulating equilibrium and dynamical properties of polymers in solution. The basic idea has been around for several decades in the form of bead-spring models. A few years ago, Groot and Warren [J. Chem. Phys. 107, 4423 (1997)] established an important link between DPD and the Flory-Huggins χ-parameter theory for polymer solutions. We revisit the Groot-Warren theory and investigate the DPD interaction parameters as a function of bead size. In particular, we show a consistent scheme of computing the interfacial tension in a segregated binary mixture. Results for three systems chosen for illustration are in excellent agreement with experimental results. This opens the door for determining DPD interactions using interfacial tension as a fitting parameter.

  15. Nuclear matter properties using different sets of parameters in the Gogny interaction

    International Nuclear Information System (INIS)

    Ramadan, Kh.A.; Mansour, H.M.M.

    2002-01-01

    In the present work we use the finite range density dependent effective Gogny interaction to study the equation of state of polarized nuclear matter. Six sets of the interaction parameters are used and a comparison is made with the calculations of Friedman and Pandharipande using a realistic interaction. One of the parameter sets (D1) gives similar results for the properties of polarized nuclear matter while the other parameter sets (D1S, D250, D260, D280 and D300) yield results which are reasonably comparable with the realistic interaction calculation of Friedman and Pandharipande. (author)

  16. Description of the hexadecapole deformation parameter in the sdg interacting boson model

    International Nuclear Information System (INIS)

    Liu Yuxin; Sun Di; Wang Jiajun; Han Qizhi

    1998-01-01

    The hexadecapole deformation parameter β 4 of the rare-earth and actinide nuclei is investigated in the framework of the sdg interacting boson model. An explicit relation between the geometric hexadecapole deformation parameter β 4 and the intrinsic deformation parameters ε 4 , ε 2 are obtained. The deformation parameters β 4 of the rare-earths and actinides are determined without any free parameter. The calculated results agree with experimental data well. It also shows that the SU(5) limit of the sdg interacting boson model can describe the β 4 systematics as well as the SU(3) limit

  17. Similarity of multi-fragmentation of residual nucleus created in nucleus-nucleus interactions at high energies

    International Nuclear Information System (INIS)

    Abdel-Hafiez, A.; Chernyavski, M.M.; Orlova, G.I.; Gulamov, K.G.; Navotny, V.SH.; Uzhinskii, V.V.

    2000-01-01

    Experimental data on multi-fragmentation of residual krypton nuclei created in the interactions of the krypton nuclei with photoemulsion nuclei ut energy of 0.9 GeV per nucleon are presented in a comparison with the analogous data on fragmentation of gold residual nuclei at the energy of 10.7 GeV/nucleon. It is shown for the first time that there are two regimes of nuclear multifragmentation: the former is when less than one-half of nucleons of projectile nucleus are knocked out, the later is when more than one-half of nucleons are knocked out. Residual nuclei with closed masses created at different reactions are fragmenting practically simultaneously when more than one-half of nucleons of original nuclei are knocked out. The evidence of existence of a radial flow of the spectator fragment at the decay of residual krypton nuclei is found

  18. 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

  19. Aging/Systems Interaction Study, Component Residual Lifetime Evaluation and Feasibility of Relicensing. Progress report, FY 1985

    International Nuclear Information System (INIS)

    Close, J.A.; Jacobs, P.T.; Korth, G.E.; Mudlin, J.M.; Server, W.L.; Spaletta, H.W.

    1985-10-01

    This report documents the work performed on four research tasks in Fiscal Year 1985 (FY-1985) which were part of the Aging/Systems Interaction Study, Component Residual Lifetime Evaluation and Feasibility of Relicensing Project. The technical and management/institutional objectives for the project are described, followed by a description of the results of each task. The work on Task 1 involved identifying and prioritizing new research activities for the Nuclear Regulatory Commission (NRC) Nuclear Plant Aging Research (NPAR) Program. A proposed methodology and plan for aging-system interaction studies was developed in Task 2. The description of Task 3 work comprises a summary of nuclear plant life extension activities in the US, the technical basis associated with the residual life of metallic materials and a proposed plan for research on residual life assessment. Task 4 describes the initial evaluation of selected Standard Review Plan (NUREG-0800) sections to investigate the feasibility of relicensing. 14 refs., 13 figs., 20 tabs

  20. Contribution of the residue at position 4 within classical nuclear localization signals to modulating interaction with importins and nuclear targeting.

    Science.gov (United States)

    Smith, Kate M; Di Antonio, Veronica; Bellucci, Luca; Thomas, David R; Caporuscio, Fabiana; Ciccarese, Francesco; Ghassabian, Hanieh; Wagstaff, Kylie M; Forwood, Jade K; Jans, David A; Palù, Giorgio; Alvisi, Gualtiero

    2018-08-01

    Nuclear import involves the recognition by importin (IMP) superfamily members of nuclear localization signals (NLSs) within protein cargoes destined for the nucleus, the best understood being recognition of classical NLSs (cNLSs) by the IMPα/β1 heterodimer. Although the cNLS consensus [K-(K/R)-X-(K/R) for positions P2-P5] is generally accepted, recent studies indicated that the contribution made by different residues at the P4 position can vary. Here, we apply a combination of microscopy, molecular dynamics, crystallography, in vitro binding, and bioinformatics approaches to show that the nature of residues at P4 indeed modulates cNLS function in the context of a prototypical Simian Virus 40 large tumor antigen-derived cNLS (KKRK, P2-5). Indeed, all hydrophobic substitutions in place of R impaired binding to IMPα and nuclear targeting, with the largest effect exerted by a G residue at P4. Substitution of R with neutral hydrophobic residues caused the loss of electrostatic and van der Waals interactions between the P4 residue side chains and IMPα. Detailed bioinformatics analysis confirmed the importance of the P4 residue for cNLS function across the human proteome, with specific residues such as G being associated with low activity. Furthermore, we validate our findings for two additional cNLSs from human cytomegalovirus (HCMV) DNA polymerase catalytic subunit UL54 and processivity factor UL44, where a G residue at P4 results in a 2-3-fold decrease in NLS activity. Our results thus showed that the P4 residue makes a hitherto poorly appreciated contribution to nuclear import efficiency, which is essential to determining the precise nuclear levels of cargoes. Copyright © 2018 Elsevier B.V. All rights reserved.

  1. 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.

  2. Genetic interaction analysis of point mutations enables interrogation of gene function at a residue-level resolution

    Science.gov (United States)

    Braberg, Hannes; Moehle, Erica A.; Shales, Michael; Guthrie, Christine; Krogan, Nevan J.

    2014-01-01

    We have achieved a residue-level resolution of genetic interaction mapping – a technique that measures how the function of one gene is affected by the alteration of a second gene – by analyzing point mutations. Here, we describe how to interpret point mutant genetic interactions, and outline key applications for the approach, including interrogation of protein interaction interfaces and active sites, and examination of post-translational modifications. Genetic interaction analysis has proven effective for characterizing cellular processes; however, to date, systematic high-throughput genetic interaction screens have relied on gene deletions or knockdowns, which limits the resolution of gene function analysis and poses problems for multifunctional genes. Our point mutant approach addresses these issues, and further provides a tool for in vivo structure-function analysis that complements traditional biophysical methods. We also discuss the potential for genetic interaction mapping of point mutations in human cells and its application to personalized medicine. PMID:24842270

  3. Description of the Hexadecapole Deformation Parameter in the sdg Interacting Boson Model

    Science.gov (United States)

    Liu, Yu-xin; Sun, Di; Wang, Jia-jun; Han, Qi-zhi

    1998-04-01

    The hexadecapole deformation parameter β4 of the rare-earth and actinide nuclei is investigated in the framework of the sdg interacing boson model. An explicit relation between the geometric hexadecapole deformation parameter β4 and the intrinsic deformation parameters epsilon4, epsilon2 are obtained. The deformation parameters β4 of the rare-earths and actinides are determined without any free parameter. The calculated results agree with experimental data well. It also shows that the SU(5) limit of the sdg interacting boson model can describe the β4 systematics as well as the SU(3) limit.

  4. Microscopic calculation of parameters of the sdg interacting boson model for 104-110Pd isotopes

    International Nuclear Information System (INIS)

    Liu Yong

    1995-01-01

    The parameters of the sdg interacting boson model Hamiltonian are calculated for the 104-110 Pd isotopes. The calculations utilize the microscopic procedure based on the Dyson boson mapping proposed by Yang-Liu-Qi and extended to include the g boson effects. The calculated parameters reproduce those values from the phenomenological fits. The resulting spectra are compared with the experimental spectra

  5. Characterization of residual stress as a function of friction stir welding parameters in oxide dispersion strengthened (ODS) steel MA956

    Energy Technology Data Exchange (ETDEWEB)

    Brewer, L.N., E-mail: lnbrewer1@eng.ua.edu [Naval Postgraduate School (United States); Bennett, M.S.; Baker, B.W. [Naval Postgraduate School (United States); Payzant, E.A.; Sochalski-Kolbus, L.M. [Oak Ridge National Laboratory (United States)

    2015-10-28

    Friction stir welding (FSW) can generate large residual stresses during solid state joining of oxide dispersion strengthened steels. In this work, a plate of MA956 steel was friction stir welded at three conditions: 500 rpm/25 mm per minute (mmpm), 400 rpm/50 mmpm and 400 rpm/100 mmpm. The residual stresses across these welds were measured using both x-ray and neutron diffraction techniques. The distribution and magnitude of the residual stresses agreed well between the two techniques. Longitudinal residual stresses up to eighty percent of the yield strength were observed for the 400 rpm/100 mmpm condition. The surface residual stresses were somewhat larger on the root side of the weld than on the crown side. Increases in the relative heat input during FSW decreased the measured residual stresses in the stir zone and the thermomechanically affected zone (TMAZ). Increasing the traverse rate while holding the rotational speed fixed increased the residual stress levels. The fatigue strength of the material is predicted to decrease by at least twenty percent with cracking most likely in the TMAZ.

  6. Characterization of residual stress as a function of friction stir welding parameters in oxide dispersion strengthened (ODS) steel MA956

    International Nuclear Information System (INIS)

    Brewer, L.N.; Bennett, M.S.; Baker, B.W.; Payzant, E.A.; Sochalski-Kolbus, L.M.

    2015-01-01

    Friction stir welding (FSW) can generate large residual stresses during solid state joining of oxide dispersion strengthened steels. In this work, a plate of MA956 steel was friction stir welded at three conditions: 500 rpm/25 mm per minute (mmpm), 400 rpm/50 mmpm and 400 rpm/100 mmpm. The residual stresses across these welds were measured using both x-ray and neutron diffraction techniques. The distribution and magnitude of the residual stresses agreed well between the two techniques. Longitudinal residual stresses up to eighty percent of the yield strength were observed for the 400 rpm/100 mmpm condition. The surface residual stresses were somewhat larger on the root side of the weld than on the crown side. Increases in the relative heat input during FSW decreased the measured residual stresses in the stir zone and the thermomechanically affected zone (TMAZ). Increasing the traverse rate while holding the rotational speed fixed increased the residual stress levels. The fatigue strength of the material is predicted to decrease by at least twenty percent with cracking most likely in the TMAZ.

  7. Thermodynamics of InxGa1-xN MOVPE using x-dependent interaction parameter

    International Nuclear Information System (INIS)

    Moon, Won Ha; Kim, Changsung Sean; Choi, Chang Hwan

    2007-01-01

    Thermodynamic properties of In x Ga 1-x N MOVPE are investigated using x-dependent interaction parameter. The interaction parameter (Ω=-1.3435x+6.1607 (kcal/mol)) dependent on In composition is calculated using a molecular-mechanics method to investigate the phase stability of InGaN. This parameter is more reliable than that proposed until now. The phase diagram and critical temperature (1392 K at x=0.44) of In x Ga 1-x N are also obtained. With this interaction parameter, many thermodynamic characteristics of InGaN by the change of In composition, input V/III ratio, and input mol ratio of group III sources are calculated to predict the growth condition of InGaN. These results are in agreement with other data for InGaN. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Isoscalar giant resonances and Landau parameters with density-dependent effective interactions

    International Nuclear Information System (INIS)

    Kohno, Michio; Ando, Kazuhiko

    1979-01-01

    Discussion is given on the relations between the Landau parameters and the isoscalar giant (quadrupole- and monopole-) resonance energies by using general density-dependent interactions. In the limit of infinite nuclear matter, the isoscalar giant quadrupole energy is shown to depend not only on the effective mass but also on the Landau parameter F 2 . Collective energies of the isoscalar giant resonances are calculated for 16 O and 40 Ca with four different effective interactions, G-0, B1, SII and SV, by using the scaling- and constrained Hartree-Fock-methods. It is shown that the dependence of the collective energies on the effective interactions is essentially determined by the Landau parameters. The G-0 force is found to be most successful in reproducing the giant resonance energies. Validity of the RPA-moment theorems is examined for the case of local density-dependent interactions. (author)

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

    Directory of Open Access Journals (Sweden)

    Edward C Twomey

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

  10. Emergent Learning and Interactive Media Artworks: Parameters of Interaction for Novice Groups

    Science.gov (United States)

    Kawka, Marta; Larkin, Kevin; Danaher, P. A.

    2011-01-01

    Emergent learning describes learning that occurs when participants interact and distribute knowledge, where learning is self-directed, and where the learning destination of the participants is largely unpredictable (Williams, Karousou, & Mackness, 2011). These notions of learning arise from the topologies of social networks and can be applied to…

  11. Dissimilar friction stir welds in AA5083-AA6082: The effect of process parameters on residual stress

    International Nuclear Information System (INIS)

    Steuwer, A.; Peel, M.J.; Withers, P.J.

    2006-01-01

    The effect of tool traverse and rotation speeds on the residual stresses are quantified for welds between non-age-hardening AA5083 and age-hardening AA6082 and compared to single alloy joints made from each of the two constituents. The residual stresses have been characterised non-destructively by neutron diffraction and synchrotron X-ray diffraction. The region around the weld line was characterised by significant tensile residual stress fields which are balanced by compressive stresses in the parent material. The rotation speed of the tool has been found to have a substantially greater influence than the transverse speed on the properties and residual stresses in the welds, particularly on the AA5083 side where the location of the peak stress moves from the stir zone to beyond the edge of the tool shoulder. The changes in residual stress are related to microstructural and hardness changes as determined in a previous study . In particular the larger stresses under the weld tool on the AA5083 side compared to the AA6082 side are related to a transient reduction in yield stress due to dissolution of the hardening precipitates during welding prior to natural aging after welding

  12. A computational tool to predict the evolutionarily conserved protein-protein interaction hot-spot residues from the structure of the unbound protein.

    Science.gov (United States)

    Agrawal, Neeraj J; Helk, Bernhard; Trout, Bernhardt L

    2014-01-21

    Identifying hot-spot residues - residues that are critical to protein-protein binding - can help to elucidate a protein's function and assist in designing therapeutic molecules to target those residues. We present a novel computational tool, termed spatial-interaction-map (SIM), to predict the hot-spot residues of an evolutionarily conserved protein-protein interaction from the structure of an unbound protein alone. SIM can predict the protein hot-spot residues with an accuracy of 36-57%. Thus, the SIM tool can be used to predict the yet unknown hot-spot residues for many proteins for which the structure of the protein-protein complexes are not available, thereby providing a clue to their functions and an opportunity to design therapeutic molecules to target these proteins. Copyright © 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  13. Effects of the interaction between dark energy and dark matter on cosmological parameters

    International Nuclear Information System (INIS)

    He, Jian-Hua; Wang, Bin

    2008-01-01

    We examine the effects of possible phenomenological interactions between dark energy and dark matter on cosmological parameters and their efficiency in solving the coincidence problem. We work with two simple parameterizations of the dynamical dark energy equation of state and the constant dark energy equation of state. Using observational data coming from the new 182 Gold type Ia supernova samples, the shift parameter of the Cosmic Microwave Background given by the three-year Wilkinson Microwave Anisotropy Probe observations and the baryon acoustic oscillation measurement from the Sloan Digital Sky Survey, we perform a statistical joint analysis of different forms of phenomenological interaction between dark energy and dark matter

  14. Re-docking scheme for generating near-native protein complexes by assembling residue interaction fingerprints.

    Directory of Open Access Journals (Sweden)

    Nobuyuki Uchikoga

    Full Text Available Interaction profile method is a useful method for processing rigid-body docking. After the docking process, the resulting set of docking poses could be classified by calculating similarities among them using these interaction profiles to search for near-native poses. However, there are some cases where the near-native poses are not included in this set of docking poses even when the bound-state structures are used. Therefore, we have developed a method for generating near-native docking poses by introducing a re-docking process. We devised a method for calculating the profile of interaction fingerprints by assembling protein complexes after determining certain core-protein complexes. For our analysis, we used 44 bound-state protein complexes selected from the ZDOCK benchmark dataset ver. 2.0, including some protein pairs none of which generated near-native poses in the docking process. Consequently, after the re-docking process we obtained profiles of interaction fingerprints, some of which yielded near-native poses. The re-docking process involved searching for possible docking poses in a restricted area using the profile of interaction fingerprints. If the profile includes interactions identical to those in the native complex, we obtained near-native docking poses. Accordingly, near-native poses were obtained for all bound-state protein complexes examined here. Application of interaction fingerprints to the re-docking process yielded structures with more native interactions, even when a docking pose, obtained following the initial docking process, contained only a small number of native amino acid interactions. Thus, utilization of the profile of interaction fingerprints in the re-docking process yielded more near-native poses.

  15. Re-docking scheme for generating near-native protein complexes by assembling residue interaction fingerprints.

    Science.gov (United States)

    Uchikoga, Nobuyuki; Matsuzaki, Yuri; Ohue, Masahito; Hirokawa, Takatsugu; Akiyama, Yutaka

    2013-01-01

    Interaction profile method is a useful method for processing rigid-body docking. After the docking process, the resulting set of docking poses could be classified by calculating similarities among them using these interaction profiles to search for near-native poses. However, there are some cases where the near-native poses are not included in this set of docking poses even when the bound-state structures are used. Therefore, we have developed a method for generating near-native docking poses by introducing a re-docking process. We devised a method for calculating the profile of interaction fingerprints by assembling protein complexes after determining certain core-protein complexes. For our analysis, we used 44 bound-state protein complexes selected from the ZDOCK benchmark dataset ver. 2.0, including some protein pairs none of which generated near-native poses in the docking process. Consequently, after the re-docking process we obtained profiles of interaction fingerprints, some of which yielded near-native poses. The re-docking process involved searching for possible docking poses in a restricted area using the profile of interaction fingerprints. If the profile includes interactions identical to those in the native complex, we obtained near-native docking poses. Accordingly, near-native poses were obtained for all bound-state protein complexes examined here. Application of interaction fingerprints to the re-docking process yielded structures with more native interactions, even when a docking pose, obtained following the initial docking process, contained only a small number of native amino acid interactions. Thus, utilization of the profile of interaction fingerprints in the re-docking process yielded more near-native poses.

  16. Effect of gamma radiation on the microbiological and physicochemical parameters and on the phenolic compounds of a fruit residue flour during storage

    International Nuclear Information System (INIS)

    Aranha, Jessica Bomtorin; Negri, Talita Costa; Martin, José Guilherme Prado; Spoto, Marta Helena Fillet

    2017-01-01

    Agroindustrial residues have high levels of nutrients, but are little exploited for consumption because they require prior treatment to ensure microbiological safety. Irradiation is an effective process for the reduction of microbial counts with maintenance of the product characteristics. The objective of this study was to evaluate the effect of irradiation on the microbiological quality, physicochemical properties and phenolic compounds of a fruit residue flour during storage. The flour was obtained from dehydrated residues of pineapple, melon, papaya and apple, which were submitted to irradiation doses of (0, 1, 2 and 3 kGy). The microbiological (coliforms, moulds, yeast and Salmonella sp. counts) and physicochemical (pH, titratable acidity, soluble solids, water activity, colour parameters L⁎, a⁎ and b⁎ and phenolic compounds) parameters were evaluated after 0, 7, 14 and 21 days of storage. All the irradiation treatments reduced the microbial count, and the presence of Salmonella sp was not detected in any of the samples. The acidity and pH showed changes during storage. The soluble solids and water activity showed no significant differences between the doses during storage. The phenolic compounds were preserved by the application of irradiation. The colour of the flour samples darkened slightly with irradiation. It was concluded that the most effective doses for the maintenance of the microbiological quality and physicochemical characteristics of the flour were 2 and 3 kGy. (author)

  17. Role of deceleration parameter and interacting dark energy in singularity avoidance

    Science.gov (United States)

    Abdussattar; Prajapati, S. R.

    2011-02-01

    A class of non-singular bouncing FRW models are obtained by constraining the deceleration parameter in the presence of an interacting dark energy represented by a time-varying cosmological constant. The models being geometrically closed, initially accelerate for a certain period of time and decelerate thereafter and are also free from the entropy and cosmological constant problems. Taking a constant of integration equal to zero one particular model is discussed in some detail and the variation of different cosmological parameters are shown graphically for specific values of the parameters of the model. For some specific choice of the parameters of the model the ever expanding models of Ozer & Taha and Abdel-Rahman and the decelerating models of Berman and also the Einstein de-Sitter model may be obtained as special cases of this particular model.

  18. 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.

  19. Outcomes and biochemical parameters following cardiac surgery: effects of transfusion of residual blood using centrifugation and multiple-pass hemoconcentration.

    Science.gov (United States)

    McNair, Erick; McKay, William; Qureshi, Abdul Mohamed; Rosin, Mark; Gamble, Jon; Dalshaug, Greg; Mycyk, Taras; Prasad, Kailash

    2013-12-01

    To determine whether or not there was a significant difference between the methods of centrifugation (CF) and multiple-pass hemoconcentration (MPH) of the residual cardiopulmonary-bypass volume in relation to biochemical measurements and patient outcomes. Prospective, randomized, and controlled. Conducted at a western Canadian tertiary care hospital. Consisted of 61 consecutive male and female patients from ages 40 to 80 who were scheduled for cardiac surgery with cardiopulmonary bypass. Either the centrifugation or multiple-pass hemoconcentration method was used to process the residual blood from the cardiopulmonary bypass circuit. The 12-hour postoperative levels of serum hemoglobin were not significantly different in the centrifugation group as compared to the multiple-pass hemoconcentration group. However, the serum levels of total protein and albumin were significantly higher in the multiple-pass hemoconcentration group as compared to the centrifugation group. Additionally, after 12-hours postoperatively, the serum fibrinogen and platelet counts were significantly higher in the multiple-pass hemoconcentration group as compared to those of the centrifugation group. The allogeneic product transfusion index and the chest-tube blood drainage indices were lower in the multiple-pass hemoconcentration group as compared to the centrifugation group. Although the CF method provided a product in a shorter turnaround time, with consistent clearance of heparin, the MPH method trended towards enhanced biochemical and clinical patient outcomes over the 12-hour postoperative period. Copyright © 2013 Elsevier Inc. All rights reserved.

  20. Non-Abelian monopole in the parameter space of point-like interactions

    International Nuclear Information System (INIS)

    Ohya, Satoshi

    2014-01-01

    We study non-Abelian geometric phase in N=2 supersymmetric quantum mechanics for a free particle on a circle with two point-like interactions at antipodal points. We show that non-Abelian Berry’s connection is that of SU(2) magnetic monopole discovered by Moody, Shapere and Wilczek in the context of adiabatic decoupling limit of diatomic molecule. - Highlights: • Supersymmetric quantum mechanics is an ideal playground for studying geometric phase. • We determine the parameter space of supersymmetric point-like interactions. • Berry’s connection is given by a Wu–Yang-like magnetic monopole in SU(2) Yang–Mills

  1. Calculation of parameters of the interaction potential between excited alkali atoms and mercury atoms: The Cs*, Pr*-Hg interaction

    International Nuclear Information System (INIS)

    Glushkov, A.V.

    1994-01-01

    Based on the method of effective potential involving the new polarization interaction potential calculated from polarization diagrams of the perturbation theory in the Thomas-Fermi approximation, the main parameters of the interatomic potentials (equilibrium distances, potential well depth) are evaluated for a system consisting of an alkali atom in the ground and excited states and of a mercury atom. The results of calculations of quasi-molecular terms for the A-Hg system, where A = Na, Cs, Fr, are reported, some of which are obtained for the first time. A comparison is made with available experimental and theoretical data. 29 refs., 2 figs., 1 tab

  2. 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

  3. Microbiological parameters and maturity degree during composting of Posidonia oceanica residues mixed with vegetable wastes in semi-arid pedo-climatic condition.

    Science.gov (United States)

    Saidi, Neyla; Kouki, Soulwene; M'hiri, Fadhel; Jedidi, Naceur; Mahrouk, Meriam; Hassen, Abdennaceur; Ouzari, Hadda

    2009-01-01

    The aim of this study was to characterize the biological stability and maturity degree of compost during a controlled pile-composting trial of mixed vegetable residues (VR) collected from markets of Tunis City with residues of Posidonia oceanica (PoR), collected from Tunis beaches. The accumulation in beaches (as well as their removal) constitutes a serious environmental problem in all Mediterranean countries particularly in Tunisia. Aerobic-thermophilic composting is the most reasonable way to profit highly-valuable content of organic matter in these wastes for agricultural purposes. The physical, chemical, and biological parameters were monitored during composting over 150 d. The most appropriate parameters were selected to establish the maturity degree. The main result of this research was the deduction of the following maturity criterion: (a) C/N ratio 80%. These five parameters, considered jointly are indicative of a high maturity degree and thus of a high-quality organic amendment which employed in a rational way, may improve soil fertility and soil quality. The mature compost was relatively rich in N (13.0 g/kg), P (4.74 g/kg) and MgO (15.80 g/kg). Thus composting definitively constitutes the most optimal option to exploit these wastes.

  4. The method of adaptation under the parameters of the subject of the information interaction

    Directory of Open Access Journals (Sweden)

    Инесса Анатольевна Воробьёва

    2014-12-01

    Full Text Available To ensure the effectiveness of settings (adaptation created software and hardware on the particular subject of the method was developed for adaptation under the parameters of the subject of information interaction in the form of a set of operations to build a network dialog procedures on the basis of accounting for entry-level qualification of the subject, assessment of the current level of skills and operational restructuring of the network in accordance with the assessment of his level.

  5. Soil structure interaction model and variability of parameters in seismic analysis of nuclear island connected building

    International Nuclear Information System (INIS)

    Subramanian, K.V.; Palekar, S.M.; Bavare, M.S.; Mapari, H.A.; Patel, S.C.; Pillai, C.S.

    2005-01-01

    This paper provides salient features of the Soil Structure Interaction analysis of Nuclear Island Connected Building (NICB). The dynamic analysis of NICB is performed on a full 3D model accounting for the probable variation in the stiffness of the founding medium. A range analyses was performed to establish the effect of variability of subgrade parameters on the results of seismic analyses of NICB. This paper presents details of various analyses with respect to the subgrade model, uncertainties in subgrade properties, results of seismic analyses and a study of effect of the variability of parameters on the results of these analyses. The results of this study indicate that the variability of soil parameters beyond a certain value of shear wave velocity does not influence the response and in fact the response marginally diminishes. (authors)

  6. A new approach to study interaction parameters in cyanobiphenyl liquid crystal binary systems

    International Nuclear Information System (INIS)

    Javadian, Soheila; Dalir, Nima; Gilani, Ali Ghanadzadeh; Kakemam, Jamal; Yousefi, Ali

    2015-01-01

    Highlights: • The phase transition of 7CB and 5CB liquid crystals studied using the DSC. • This work includes the determination of the eutectic in the 7CB/5CB mixture. • The excess functions and interaction parameters calculated in the 7CB/5CB mixtures. • The P ∗ randomicity parameter used to describe the phase transitions of C–N and N–I. • A small amount of P ∗ showed a non-random identity of the C–N phase transition. - Abstract: The phase transition of heptylcyanobiphenyl 7CB and pentylcyanobiphenyl 5CB liquid crystals was investigated using the differential scanning calorimetry DSC technique. Then, the phase transition of different compositions of 7CB/5CB binary mixture was studied to determine the eutectic point. The phase diagram of mentioned binary system in 7CB mole fraction of 0.45 at T = 273.45 K is in good agreement with that of predicted from Schroder–van Laar equation. The thermodynamic excess functions and interaction parameters were calculated to describe the phase transition physically using the non-random mixing for the first time. The P ∗ randomicity parameter was used to describe the phase transitions of C–N and N–I in which a small amount of P ∗ shows a non-random identity of C–N phase transition. Contrarily, the P ∗ is greater in N–I phase transition showing a random mixing process

  7. Bottom-up modeling approach for the quantitative estimation of parameters in pathogen-host interactions.

    Science.gov (United States)

    Lehnert, Teresa; Timme, Sandra; Pollmächer, Johannes; Hünniger, Kerstin; Kurzai, Oliver; Figge, Marc Thilo

    2015-01-01

    Opportunistic fungal pathogens can cause bloodstream infection and severe sepsis upon entering the blood stream of the host. The early immune response in human blood comprises the elimination of pathogens by antimicrobial peptides and innate immune cells, such as neutrophils or monocytes. Mathematical modeling is a predictive method to examine these complex processes and to quantify the dynamics of pathogen-host interactions. Since model parameters are often not directly accessible from experiment, their estimation is required by calibrating model predictions with experimental data. Depending on the complexity of the mathematical model, parameter estimation can be associated with excessively high computational costs in terms of run time and memory. We apply a strategy for reliable parameter estimation where different modeling approaches with increasing complexity are used that build on one another. This bottom-up modeling approach is applied to an experimental human whole-blood infection assay for Candida albicans. Aiming for the quantification of the relative impact of different routes of the immune response against this human-pathogenic fungus, we start from a non-spatial state-based model (SBM), because this level of model complexity allows estimating a priori unknown transition rates between various system states by the global optimization method simulated annealing. Building on the non-spatial SBM, an agent-based model (ABM) is implemented that incorporates the migration of interacting cells in three-dimensional space. The ABM takes advantage of estimated parameters from the non-spatial SBM, leading to a decreased dimensionality of the parameter space. This space can be scanned using a local optimization approach, i.e., least-squares error estimation based on an adaptive regular grid search, to predict cell migration parameters that are not accessible in experiment. In the future, spatio-temporal simulations of whole-blood samples may enable timely

  8. Interactive Approach for Multi-Level Multi-Objective Fractional Programming Problems with Fuzzy Parameters

    Directory of Open Access Journals (Sweden)

    M.S. Osman

    2018-03-01

    Full Text Available In this paper, an interactive approach for solving multi-level multi-objective fractional programming (ML-MOFP problems with fuzzy parameters is presented. The proposed interactive approach makes an extended work of Shi and Xia (1997. In the first phase, the numerical crisp model of the ML-MOFP problem has been developed at a confidence level without changing the fuzzy gist of the problem. Then, the linear model for the ML-MOFP problem is formulated. In the second phase, the interactive approach simplifies the linear multi-level multi-objective model by converting it into separate multi-objective programming problems. Also, each separate multi-objective programming problem of the linear model is solved by the ∊-constraint method and the concept of satisfactoriness. Finally, illustrative examples and comparisons with the previous approaches are utilized to evince the feasibility of the proposed approach.

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

    Science.gov (United States)

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

    2011-01-01

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

  10. Structure-Activity Relationship in TLR4 Mutations: Atomistic Molecular Dynamics Simulations and Residue Interaction Network Analysis

    Science.gov (United States)

    Anwar, Muhammad Ayaz; Choi, Sangdun

    2017-03-01

    Toll-like receptor 4 (TLR4), a vital innate immune receptor present on cell surfaces, initiates a signaling cascade during danger and bacterial intrusion. TLR4 needs to form a stable hexamer complex, which is necessary to dimerize the cytoplasmic domain. However, D299G and T399I polymorphism may abrogate the stability of the complex, leading to compromised TLR4 signaling. Crystallography provides valuable insights into the structural aspects of the TLR4 ectodomain; however, the dynamic behavior of polymorphic TLR4 is still unclear. Here, we employed molecular dynamics simulations (MDS), as well as principal component and residue network analyses, to decipher the structural aspects and signaling propagation associated with mutations in TLR4. The mutated complexes were less cohesive, displayed local and global variation in the secondary structure, and anomalous decay in rotational correlation function. Principal component analysis indicated that the mutated complexes also exhibited distinct low-frequency motions, which may be correlated to the differential behaviors of these TLR4 variants. Moreover, residue interaction networks (RIN) revealed that the mutated TLR4/myeloid differentiation factor (MD) 2 complex may perpetuate abnormal signaling pathways. Cumulatively, the MDS and RIN analyses elucidated the mutant-specific conformational alterations, which may help in deciphering the mechanism of loss-of-function mutations.

  11. ShinyKGode: an Interactive Application for ODE Parameter Inference Using Gradient Matching.

    Science.gov (United States)

    Wandy, Joe; Niu, Mu; Giurghita, Diana; Daly, Rónán; Rogers, Simon; Husmeier, Dirk

    2018-02-27

    Mathematical modelling based on ordinary differential equations (ODEs) is widely used to describe the dynamics of biological systems, particularly in systems and pathway biology. Often the kinetic parameters of these ODE systems are unknown and have to be inferred from the data. Approximate parameter inference methods based on gradient matching (which do not require performing computationally expensive numerical integration of the ODEs) have been getting popular in recent years, but many implementations are difficult to run without expert knowledge. Here we introduce ShinyKGode, an interactive web application to perform fast parameter inference on ODEs using gradient matching. ShinyKGode can be used to infer ODE parameters on simulated and observed data using gradient matching. Users can easily load their own models in Systems Biology Markup Language format, and a set of pre-defined ODE benchmark models are provided in the application. Inferred parameters are visualised alongside diagnostic plots to assess convergence. The R package for ShinyKGode can be installed through the Comprehensive R Archive Network (CRAN). Installation instructions, as well as tutorial videos and source code are available at https://joewandy.github.io/shinyKGode. dirk.husmeier@glasgow.ac.uk. None.

  12. 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.

  13. 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.

  14. Identifying stabilizing key residues in proteins using interresidue interaction energy matrix

    Czech Academy of Sciences Publication Activity Database

    Biedermannová, Lada; Hobza, Pavel; Vondrášek, Jiří

    2008-01-01

    Roč. 72, č. 1 (2008), s. 402-413 ISSN 0887-3585 R&D Projects: GA ČR GA203/05/0009; GA ČR GA203/06/1727; GA ČR(CZ) GD203/05/H001; GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : protein stabilisation * an-initio calculation * interaction energy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.419, year: 2008

  15. Identification of the gamma subunit-interacting residues on photoreceptor cGMP phosphodiesterase, PDE6alpha '.

    Science.gov (United States)

    Granovsky, A E; Artemyev, N O

    2000-12-29

    Photoreceptor cGMP phosphodiesterase (PDE6) is the effector enzyme in the G protein-mediated visual transduction cascade. In the dark, the activity of PDE6 is shut off by the inhibitory gamma subunit (Pgamma). Chimeric proteins between cone PDE6alpha' and cGMP-binding and cGMP-specific PDE (PDE5) have been constructed and expressed in Sf9 cells to study the mechanism of inhibition of PDE6 catalytic activity by Pgamma. Substitution of the segment PDE5-(773-820) by the corresponding PDE6alpha'-(737-784) sequence in the wild-type PDE5 or in a PDE5/PDE6alpha' chimera containing the catalytic domain of PDE5 results in chimeric enzymes capable of inhibitory interaction with Pgamma. The catalytic properties of the chimeric PDEs remained similar to those of PDE5. Ala-scanning mutational analysis of the Pgamma-binding region, PDE6alpha'-(750-760), revealed PDE6alpha' residues essential for the interaction. The M758A mutation markedly impaired and the Q752A mutation moderately impaired the inhibition of chimeric PDE by Pgamma. The analysis of the catalytic properties of mutant PDEs and a model of the PDE6 catalytic domain suggest that residues Met(758) and Gln(752) directly bind Pgamma. A model of the PDE6 catalytic site shows that PDE6alpha'-(750-760) forms a loop at the entrance to the cGMP-binding pocket. Binding of Pgamma to Met(758) would effectively block access of cGMP to the catalytic cavity, providing a structural basis for the mechanism of PDE6 inhibition.

  16. Two Arginine Residues of Streptococcus gordonii Sialic Acid-Binding Adhesin Hsa Are Essential for Interaction to Host Cell Receptors.

    Directory of Open Access Journals (Sweden)

    Yumiko Urano-Tashiro

    Full Text Available Hsa is a large, serine-rich protein of Streptococcus gordonii DL1 that mediates binding to α2-3-linked sialic acid termini of glycoproteins, including platelet glycoprotein Ibα, and erythrocyte membrane protein glycophorin A, and band 3. The binding of Hsa to platelet glycoprotein Ibα contributes to the pathogenesis of infective endocarditis. This interaction appears to be mediated by a second non-repetitive region (NR2 of Hsa. However, the molecular details of the interaction between the Hsa NR2 region and these glycoproteins are not well understood. In the present study, we identified the amino acid residues of the Hsa NR2 region that are involved in sialic acid recognition. To identify the sialic acid-binding site of Hsa NR2 region, we prepared various mutants of Hsa NR2 fused with glutathione transferase. Fusion proteins harboring Arg340 to Asn (R340N or Arg365 to Asn (R365N substitutions in the NR2 domain exhibited significantly reduced binding to human erythrocytes and platelets. A sugar-binding assay showed that these mutant proteins abolished binding to α2-3-linked sialic acid. Furthermore, we established S. gordonii DL1 derivatives that encoded the corresponding Hsa mutant protein. In whole-cell assays, these mutant strains showed significant reductions in hemagglutination, in platelet aggregation, and in adhesion to human leukocytes. These results indicate that the Arg340 and Arg365 residues of Hsa play an important role in the binding of Hsa to α2-3-linked sialic acid-containing glycoproteins.

  17. User's manual for DWNWND: an interactive Gaussian plume atmospheric transport model with eight dispersion parameter options

    International Nuclear Information System (INIS)

    Fields, D.E.; Miller, C.W.

    1980-05-01

    The most commonly used approach for estimating the atmospheric concentration and deposition of material downwind from its point of release is the Gaussian plume atmospheric dispersion model. Two of the critical parameters in this model are sigma/sub y/ and sigma/sub z/, the horizontal and vertical dispersion parameters, respectively. A number of different sets of values for sigma/sub y/ and sigma/sub z/ have been determined empirically for different release heights and meteorological and terrain conditions. The computer code DWNWND, described in this report, is an interactive implementation of the Gaussian plume model. This code allows the user to specify any one of eight different sets of the empirically determined dispersion paramters. Using the selected dispersion paramters, ground-level normalized exposure estimates are made at any specified downwind distance. Computed values may be corrected for plume depletion due to deposition and for plume settling due to gravitational fall. With this interactive code, the user chooses values for ten parameters which define the source, the dispersion and deposition process, and the sampling point. DWNWND is written in FORTRAN for execution on a PDP-10 computer, requiring less than one second of central processor unit time for each simulation

  18. A charged residue at the subunit interface of PCNA promotes trimer formation by destabilizing alternate subunit interactions

    International Nuclear Information System (INIS)

    Freudenthal, Bret D.; Gakhar, Lokesh; Ramaswamy, S.; Washington, M. Todd

    2009-01-01

    Eukaryotic proliferating cell nuclear antigen (PCNA), an essential accessory factor in DNA replication and repair, is a ring-shaped homotrimer. A novel nontrimeric structure of E113G-mutant PCNA protein is reported, which shows that this protein forms alternate subunit interactions. It is concluded that the charged side chain of Glu113 promotes normal trimer formation by destabilizing these alternate subunit interactions. Eukaryotic proliferating cell nuclear antigen (PCNA) is an essential replication accessory factor that interacts with a variety of proteins involved in DNA replication and repair. Each monomer of PCNA has an N-terminal domain A and a C-terminal domain B. In the structure of the wild-type PCNA protein, domain A of one monomer interacts with domain B of a neighboring monomer to form a ring-shaped trimer. Glu113 is a conserved residue at the subunit interface in domain A. Two distinct X-ray crystal structures have been determined of a mutant form of PCNA with a substitution at this position (E113G) that has previously been studied because of its effect on translesion synthesis. The first structure was the expected ring-shaped trimer. The second structure was an unanticipated nontrimeric form of the protein. In this nontrimeric form, domain A of one PCNA monomer interacts with domain A of a neighboring monomer, while domain B of this monomer interacts with domain B of a different neighboring monomer. The B–B interface is stabilized by an antiparallel β-sheet and appears to be structurally similar to the A–B interface observed in the trimeric form of PCNA. The A–A interface, in contrast, is primarily stabilized by hydrophobic interactions. Because the E113G substitution is located on this hydrophobic surface, the A–A interface should be less favorable in the case of the wild-type protein. This suggests that the side chain of Glu113 promotes trimer formation by destabilizing these possible alternate subunit interactions

  19. Determination of the interaction parameter and topological scaling features of symmetric star polymers in dilute solution

    KAUST Repository

    Rai, Durgesh K.; Beaucage, Gregory; Ratkanthwar, Kedar; Beaucage, Peter; Ramachandran, Ramnath; Hadjichristidis, Nikolaos

    2015-01-01

    Star polymers provide model architectures to understand the dynamic and rheological effects of chain confinement for a range of complex topological structures like branched polymers, colloids, and micelles. It is important to describe the structure of such macromolecular topologies using small-angle neutron and x-ray scattering to facilitate understanding of their structure-property relationships. Modeling of scattering from linear, Gaussian polymers, such as in the melt, has applied the random phase approximation using the Debye polymer scattering function. The Flory-Huggins interaction parameter can be obtained using neutron scattering by this method. Gaussian scaling no longer applies for more complicated chain topologies or when chains are in good solvents. For symmetric star polymers, chain scaling can differ from ν=0.5(df=2) due to excluded volume, steric interaction between arms, and enhanced density due to branching. Further, correlation between arms in a symmetric star leads to an interference term in the scattering function first described by Benoit for Gaussian chains. In this work, a scattering function is derived which accounts for interarm correlations in symmetric star polymers as well as the polymer-solvent interaction parameter for chains of arbitrary scaling dimension using a hybrid Unified scattering function. The approach is demonstrated for linear, four-arm and eight-arm polyisoprene stars in deuterated p-xylene.

  20. Determination of the interaction parameter and topological scaling features of symmetric star polymers in dilute solution

    KAUST Repository

    Rai, Durgesh K.

    2015-07-15

    Star polymers provide model architectures to understand the dynamic and rheological effects of chain confinement for a range of complex topological structures like branched polymers, colloids, and micelles. It is important to describe the structure of such macromolecular topologies using small-angle neutron and x-ray scattering to facilitate understanding of their structure-property relationships. Modeling of scattering from linear, Gaussian polymers, such as in the melt, has applied the random phase approximation using the Debye polymer scattering function. The Flory-Huggins interaction parameter can be obtained using neutron scattering by this method. Gaussian scaling no longer applies for more complicated chain topologies or when chains are in good solvents. For symmetric star polymers, chain scaling can differ from ν=0.5(df=2) due to excluded volume, steric interaction between arms, and enhanced density due to branching. Further, correlation between arms in a symmetric star leads to an interference term in the scattering function first described by Benoit for Gaussian chains. In this work, a scattering function is derived which accounts for interarm correlations in symmetric star polymers as well as the polymer-solvent interaction parameter for chains of arbitrary scaling dimension using a hybrid Unified scattering function. The approach is demonstrated for linear, four-arm and eight-arm polyisoprene stars in deuterated p-xylene.

  1. 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

  2. Interaction between local parameters of two-phase flow and random forces on a cylinder

    International Nuclear Information System (INIS)

    Sylviane Pascal-Ribot; Yves Blanchet; Franck Baj; Phillippe Piteau

    2005-01-01

    Full text of publication follows: In the frame of assessments of steam generator tube bundle vibrations, a study was conducted in order to investigate the effects of an air/water flow on turbulent buffeting forces induced on a cylinder. The main purpose is to relate the physical parameters characterizing an air/water two-phase crossflow with the structural loading of a fixed cylindrical tube. In this first approach, the experiments are carried out in a rectangular acrylic test section supplied with a vertical upward bubbly flow. This flow is transversally impeded by a fixed rigid 12,15 mm diameter cylinder. Different turbulence grids are used in order to modify two-phase characteristics such as bubble diameter, void fraction profile, fluctuation parameters. Preliminarily, a dimensional analysis of fluid-structure interaction under two-phase turbulent solicitations has enabled to identify a list of physically relevant variables which must be measured to evaluate the random forces. The meaning of these relevant parameters as well as the effect of flow patterns are discussed. Direct measurements of two-phase flow parameters are performed simultaneously with measurements of forces exerted on the cylinder. The main descriptive parameters of a two-phase flow are measured using a bi-optical probe, in particular void fraction profiles, interfacial velocities, bubble diameters, void fraction fluctuations. In the same time, the magnitude of random forces caused by two-phase flow is measured with a force transducer. A thorough analysis of the experimental data is then undertaken in order to correlate physical two-phase mechanisms with the random forces exerted on the cylinder. The hypotheses made while applying the dimensional analysis are verified and their pertinence is discussed. Finally, physical parameters involved in random buffeting forces applied on a transverse tube are proposed to scale the spectral magnitude of these forces and comparisons with other authors

  3. Shifts of neutrino oscillation parameters in reactor antineutrino experiments with non-standard interactions

    Directory of Open Access Journals (Sweden)

    Yu-Feng Li

    2014-11-01

    Full Text Available We discuss reactor antineutrino oscillations with non-standard interactions (NSIs at the neutrino production and detection processes. The neutrino oscillation probability is calculated with a parametrization of the NSI parameters by splitting them into the averages and differences of the production and detection processes respectively. The average parts induce constant shifts of the neutrino mixing angles from their true values, and the difference parts can generate the energy (and baseline dependent corrections to the initial mass-squared differences. We stress that only the shifts of mass-squared differences are measurable in reactor antineutrino experiments. Taking Jiangmen Underground Neutrino Observatory (JUNO as an example, we analyze how NSIs influence the standard neutrino measurements and to what extent we can constrain the NSI parameters.

  4. Study of electron vibrational interaction parameters in chlorophosphate activated with Eu2+ ion

    International Nuclear Information System (INIS)

    Bhoyar, Priyanka D.; Dhoble, S.J.

    2014-01-01

    We present the results of theoretical study of photoluminescence of Eu 2+ ions activated chlorophosphate M 5.17 (PO 4 ) 3 Cl 5 :Eu 2+ with M = Ca, Sr and Ba estimating electron-vibrational interaction (EVI) parameters such as Huang–Rhys factor, effective phonon energy, Stokes shift and zero phonon line position. Validity of the calculated result was established by modeling the emission line which was found to be in good agreement with the measured photoluminescence spectrum of Eu 2+ doped chorophosphates. - Highlights: • The EVI parameters such as Huang–Rhys factor, effective phonon energy and zero phonon line position were estimated. • Eu 2+ ion emission observed in chlorophosphate. • Material analyzed in this work have intermediate Huang–Rhys factor, high Stokes shift and low effective phonon energy

  5. Comparison of volumetric and functional parameters in simultaneous cardiac PET/MR: feasibility of volumetric assessment with residual activity from prior PET/CT

    Energy Technology Data Exchange (ETDEWEB)

    Luecke, C.; Brenneis, B.; Grothoff, M.; Gutberlet, M. [University Leipzig - Heart Center, Department of Diagnostic and Interventional Radiology, Leipzig (Germany); Oppolzer, B.; Werner, P.; Jochimsen, T.; Sattler, B.; Barthel, H.; Sabri, O. [University Hospital Leipzig, Department of Nuclear Medicine, Leipzig (Germany); Foldyna, B. [University Leipzig - Heart Center, Department of Diagnostic and Interventional Radiology, Leipzig (Germany); Massachusetts General Hospital - Harvard Medical School, Cardiac MR PET CT Program, Boston, MA (United States); Lurz, P. [University Leipzig - Heart Center, Clinic for Internal Medicine/Cardiology, Leipzig (Germany); Lehmkuhl, L. [Herz- und Gefaess-Klinik GmbH, Radiologische Klinik, Bad Neustadt (Germany)

    2017-12-15

    To compare cardiac left ventricular (LV) parameters in simultaneously acquired hybrid fluorine-18-fluorodeoxyglucose ([18F] FDG) positron emission tomography/magnetic resonance imaging (PET/MRI) in patients with residual tracer activity of upstream PET/CT. Twenty-nine patients (23 men, age 58±17 years) underwent cardiac PET/MRI either directly after a non-cardiac PET/CT with homogenous cardiac [18F] FDG uptake (n=20) or for viability assessment (n=9). Gated cardiac [18F] FDG PET and cine MR sequences were acquired simultaneously and evaluated blinded to the cross-imaging results. Image quality (IQ), end-diastolic (LVEDV), end-systolic volume (LVESV), ejection fraction (LVEF) and myocardial mass (LVMM) were measured. Pearson correlation and intraclass correlation coefficient (ICC), regression and a Bland-Altman analysis were assessed. Except LVMM, volumetric and functional LV parameters demonstrated high correlations (LVESV: r=0.97, LVEDV: r=0.95, LVEF: r=0.91, LVMM: r=0.87, each p<0.05), but wide limits of agreement (LOA) for LVEDV (-25.3-82.5ml); LVESV (-33.1-72.7ml); LVEF (-18.9-14.8%) and LVMM (-78.2-43.2g). Intra- and interobserver reliability were very high (ICC≥0.95) for all parameters, except for MR-LVEF (ICC=0.87). PET-IQ (0-3) was high (mean: 2.2±0.9) with significant influence on LVMM calculations only. In simultaneously acquired cardiac PET/MRI data, LVEDV, LVESV and LVEF show good agreement. However, the agreement seems to be limited if cardiac PET/MRI follows PET/CT and only the residual activity is used. (orig.)

  6. Some necessary parameters for a critical velocity interaction between the ionospheric plasma and a xenon cloud

    International Nuclear Information System (INIS)

    Axnaes, I.

    1979-12-01

    The conditions for an experiment to study the critical ionization velocity effect in the interaction between a Xenon cloud, released from a satellite, and the ionospheric plasma are investigated. The model used is based on the assumption that there exists an effective process that transfers the energy, that is available in the relative motion, to the electrons. Some necessary conditions to obtain significant heating or deceleration of the plasma penetrating the cloud are calculated. The conditions are mainly given by the energy available in the relative motion and the rates of the different binary collision processes involved. As the released gas cloud expands the possibilities for a critical velocity interaction will exist only within a certain range of cloud radii. It is shown that the charge transfer collision cross section between the ionospheric ions and the cloud atoms is an important parameter and that Xenon is a very suitable gas in that respect. (author)

  7. The same number of optimized parameters scheme for determining intermolecular interaction energies

    DEFF Research Database (Denmark)

    Kristensen, Kasper; Ettenhuber, Patrick; Eriksen, Janus Juul

    2015-01-01

    We propose the Same Number Of Optimized Parameters (SNOOP) scheme as an alternative to the counterpoise method for treating basis set superposition errors in calculations of intermolecular interaction energies. The key point of the SNOOP scheme is to enforce that the number of optimized wave...... as numerically. Numerical results for second-order Møller-Plesset perturbation theory (MP2) and coupled-cluster with single, double, and approximate triple excitations (CCSD(T)) show that the SNOOP scheme in general outperforms the uncorrected and counterpoise approaches. Furthermore, we show that SNOOP...

  8. Systematics of β and γ parameters of O(6)-like nuclei in the interacting boson model

    International Nuclear Information System (INIS)

    Wang Baolin

    1997-01-01

    By comparing quadrupole moments between the interacting boson model (IBM) and the collective model, a simple calculation for the triaxial deformation parameters β and γ in the O(6)-like nuclei is presented, based on the intrinsic frame in the IBM. The systematics of the β and γ are studied. The realistic cases are calculated for the even-even Xe, Ba and Ce isotopes, and the smooth dependences of the strength ratios θ 3 /κ and the effective charges e 2 on the proton and neutron boson numbers N π and N ν are discovered

  9. Optimal conditions and operational parameters for conversion of Robusta coffee residues in a continuous stirred tank reactor

    Energy Technology Data Exchange (ETDEWEB)

    Msambichaka, B L; Kivaisi, A K; Rubindamayugi, M S.T. [Univ. of Dar es Salaam, Applied Microbiology Unit (Tanzania, United Republic of)

    1998-12-31

    This experiment studied the possibility of optimizing anaerobic degradation, developing microbial adaptation and establishing long term process stability in a Continuous Stirred Tank Reactor (CSTR) running on Robusta coffee hulls as feed substrate. Decrease in lag phase and increase in methane production rate in batch culture experiment conducted before and after process stabilization of each operational phase in the CSTR clearly suggested that microbial adaptation to increasing coffee percentage composition was attained. Through gradual increase of coffee percentage composition, from 10% coffee, 2% VS, 20 days HRT and a 1 g VS/1/day loading rate to 80% coffee, 4.5% VS, 12 days HRT and a loading rate of 3 g VS/1/day the CSTR system was optimized at a maximum methane yield of 535 ml/g VS. Again it was possible to attain long term process stability at the above mentioned optimal operational parameters for a further 3 month period. (au)

  10. Optimal conditions and operational parameters for conversion of Robusta coffee residues in a continuous stirred tank reactor

    Energy Technology Data Exchange (ETDEWEB)

    Msambichaka, B.L.; Kivaisi, A.K.; Rubindamayugi, M.S.T. [Univ. of Dar es Salaam, Applied Microbiology Unit (Tanzania, United Republic of)

    1997-12-31

    This experiment studied the possibility of optimizing anaerobic degradation, developing microbial adaptation and establishing long term process stability in a Continuous Stirred Tank Reactor (CSTR) running on Robusta coffee hulls as feed substrate. Decrease in lag phase and increase in methane production rate in batch culture experiment conducted before and after process stabilization of each operational phase in the CSTR clearly suggested that microbial adaptation to increasing coffee percentage composition was attained. Through gradual increase of coffee percentage composition, from 10% coffee, 2% VS, 20 days HRT and a 1 g VS/1/day loading rate to 80% coffee, 4.5% VS, 12 days HRT and a loading rate of 3 g VS/1/day the CSTR system was optimized at a maximum methane yield of 535 ml/g VS. Again it was possible to attain long term process stability at the above mentioned optimal operational parameters for a further 3 month period. (au)

  11. Anionic Sites, Fucose Residues and Class I Human Leukocyte Antigen Fate During Interaction of Toxoplasma gondii with Endothelial Cells

    Directory of Open Access Journals (Sweden)

    Stumbo Ana Carolina

    2002-01-01

    Full Text Available Toxoplasma gondii invades and proliferates in human umbilical vein endothelial cells where it resides in a parasitophorous vacuole. In order to analyze which components of the endothelial cell plasma membrane are internalized and become part of the parasitophorous vacuole membrane, the culture of endothelial cells was labeled with cationized ferritin or UEA I lectin or anti Class I human leukocytte antigen (HLA before or after infection with T. gondii. The results showed no cationized ferritin and UEA I lectin in any parasitophorous vacuole membrane, however, the Class I HLA molecule labeling was observed in some endocytic vacuoles containing parasite until 1 h of interaction with T. gondii. After 24 h parasite-host cell interaction, the labeling was absent on the vacuolar membrane, but presents only in small vesicles near parasitophorous vacuole. These results suggest the anionic site and fucose residues are excluded at the time of parasitophorous vacuole formation while Class I HLA molecules are present only on a minority of Toxoplasma-containig vacuoles.

  12. Interactions between charged residues in the transmembrane segments of the voltage-sensing domain in the hERG channel.

    Science.gov (United States)

    Zhang, M; Liu, J; Jiang, M; Wu, D-M; Sonawane, K; Guy, H R; Tseng, G-N

    2005-10-01

    Studies on voltage-gated K channels such as Shaker have shown that positive charges in the voltage-sensor (S4) can form salt bridges with negative charges in the surrounding transmembrane segments in a state-dependent manner, and different charge pairings can stabilize the channels in closed or open states. The goal of this study is to identify such charge interactions in the hERG channel. This knowledge can provide constraints on the spatial relationship among transmembrane segments in the channel's voltage-sensing domain, which are necessary for modeling its structure. We first study the effects of reversing S4's positive charges on channel activation. Reversing positive charges at the outer (K525D) and inner (K538D) ends of S4 markedly accelerates hERG activation, whereas reversing the 4 positive charges in between either has no effect or slows activation. We then use the 'mutant cycle analysis' to test whether D456 (outer end of S2) and D411 (inner end of S1) can pair with K525 and K538, respectively. Other positive charges predicted to be able, or unable, to interact with D456 or D411 are also included in the analysis. The results are consistent with predictions based on the distribution of these charged residues, and confirm that there is functional coupling between D456 and K525 and between D411 and K538.

  13. Estimating the spatial scale of herbicide and soil interactions by nested sampling, hierarchical analysis of variance and residual maximum likelihood

    Energy Technology Data Exchange (ETDEWEB)

    Price, Oliver R., E-mail: oliver.price@unilever.co [Warwick-HRI, University of Warwick, Wellesbourne, Warwick, CV32 6EF (United Kingdom); University of Reading, Soil Science Department, Whiteknights, Reading, RG6 6UR (United Kingdom); Oliver, Margaret A. [University of Reading, Soil Science Department, Whiteknights, Reading, RG6 6UR (United Kingdom); Walker, Allan [Warwick-HRI, University of Warwick, Wellesbourne, Warwick, CV32 6EF (United Kingdom); Wood, Martin [University of Reading, Soil Science Department, Whiteknights, Reading, RG6 6UR (United Kingdom)

    2009-05-15

    An unbalanced nested sampling design was used to investigate the spatial scale of soil and herbicide interactions at the field scale. A hierarchical analysis of variance based on residual maximum likelihood (REML) was used to analyse the data and provide a first estimate of the variogram. Soil samples were taken at 108 locations at a range of separating distances in a 9 ha field to explore small and medium scale spatial variation. Soil organic matter content, pH, particle size distribution, microbial biomass and the degradation and sorption of the herbicide, isoproturon, were determined for each soil sample. A large proportion of the spatial variation in isoproturon degradation and sorption occurred at sampling intervals less than 60 m, however, the sampling design did not resolve the variation present at scales greater than this. A sampling interval of 20-25 m should ensure that the main spatial structures are identified for isoproturon degradation rate and sorption without too great a loss of information in this field. - Estimating the spatial scale of herbicide and soil interactions by nested sampling.

  14. Estimating the spatial scale of herbicide and soil interactions by nested sampling, hierarchical analysis of variance and residual maximum likelihood

    International Nuclear Information System (INIS)

    Price, Oliver R.; Oliver, Margaret A.; Walker, Allan; Wood, Martin

    2009-01-01

    An unbalanced nested sampling design was used to investigate the spatial scale of soil and herbicide interactions at the field scale. A hierarchical analysis of variance based on residual maximum likelihood (REML) was used to analyse the data and provide a first estimate of the variogram. Soil samples were taken at 108 locations at a range of separating distances in a 9 ha field to explore small and medium scale spatial variation. Soil organic matter content, pH, particle size distribution, microbial biomass and the degradation and sorption of the herbicide, isoproturon, were determined for each soil sample. A large proportion of the spatial variation in isoproturon degradation and sorption occurred at sampling intervals less than 60 m, however, the sampling design did not resolve the variation present at scales greater than this. A sampling interval of 20-25 m should ensure that the main spatial structures are identified for isoproturon degradation rate and sorption without too great a loss of information in this field. - Estimating the spatial scale of herbicide and soil interactions by nested sampling.

  15. Dynamic interactions between hydrogeological and exposure parameters in daily dose prediction under uncertainty and temporal variability

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Vikas, E-mail: vikas.kumar@urv.cat [Department of Chemical Engineering, Rovira i Virgili University, Tarragona 43007 (Spain); Barros, Felipe P.J. de [Sonny Astani Department of Civil and Environmental Engineering, University of Southern California, Los Angeles 90089, CA (United States); Schuhmacher, Marta [Department of Chemical Engineering, Rovira i Virgili University, Tarragona 43007 (Spain); Fernàndez-Garcia, Daniel; Sanchez-Vila, Xavier [Hydrogeology Group, Department of Geotechnical Engineering and Geosciences, University Politècnica de Catalunya-BarcelonaTech, Barcelona 08034 (Spain)

    2013-12-15

    Highlights: • Dynamic parametric interaction in daily dose prediction under uncertainty. • Importance of temporal dynamics associated with the dose. • Different dose experienced by different population cohorts as a function of time. • Relevance of uncertainty reduction in the input parameters shows temporal dynamism. -- Abstract: We study the time dependent interaction between hydrogeological and exposure parameters in daily dose predictions due to exposure of humans to groundwater contamination. Dose predictions are treated stochastically to account for an incomplete hydrogeological and geochemical field characterization, and an incomplete knowledge of the physiological response. We used a nested Monte Carlo framework to account for uncertainty and variability arising from both hydrogeological and exposure variables. Our interest is in the temporal dynamics of the total dose and their effects on parametric uncertainty reduction. We illustrate the approach to a HCH (lindane) pollution problem at the Ebro River, Spain. The temporal distribution of lindane in the river water can have a strong impact in the evaluation of risk. The total dose displays a non-linear effect on different population cohorts, indicating the need to account for population variability. We then expand the concept of Comparative Information Yield Curves developed earlier (see de Barros et al. [29]) to evaluate parametric uncertainty reduction under temporally variable exposure dose. Results show that the importance of parametric uncertainty reduction varies according to the temporal dynamics of the lindane plume. The approach could be used for any chemical to aid decision makers to better allocate resources towards reducing uncertainty.

  16. Characterization of conserved arginine residues on Cdt1 that affect licensing activity and interaction with Geminin or Mcm complex.

    Science.gov (United States)

    You, Zhiying; Ode, Koji L; Shindo, Mayumi; Takisawa, Haruhiko; Masai, Hisao

    2016-05-02

    All organisms ensure once and only once replication during S phase through a process called replication licensing. Cdt1 is a key component and crucial loading factor of Mcm complex, which is a central component for the eukaryotic replicative helicase. In higher eukaryotes, timely inhibition of Cdt1 by Geminin is essential to prevent rereplication. Here, we address the mechanism of DNA licensing using purified Cdt1, Mcm and Geminin proteins in combination with replication in Xenopus egg extracts. We mutagenized the 223th arginine of mouse Cdt1 (mCdt1) to cysteine or serine (R-S or R-C, respectively) and 342nd and 346th arginines constituting an arginine finger-like structure to alanine (RR-AA). The RR-AA mutant of Cdt1 could not only rescue the DNA replication activity in Cdt1-depleted extracts but also its specific activity for DNA replication and licensing was significantly increased compared to the wild-type protein. In contrast, the R223 mutants were partially defective in rescue of DNA replication and licensing. Biochemical analyses of these mutant Cdt1 proteins indicated that the RR-AA mutation disabled its functional interaction with Geminin, while R223 mutations resulted in ablation in interaction with the Mcm2∼7 complex. Intriguingly, the R223 mutants are more susceptible to the phosphorylation-induced inactivation or chromatin dissociation. Our results show that conserved arginine residues play critical roles in interaction with Geminin and Mcm that are crucial for proper conformation of the complexes and its licensing activity.

  17. Interacting Effects Induced by Two Neighboring Pits Considering Relative Position Parameters and Pit Depth

    Directory of Open Access Journals (Sweden)

    Yongfang Huang

    2017-04-01

    Full Text Available For pre-corroded aluminum alloy 7075-T6, the interacting effects of two neighboring pits on the stress concentration are comprehensively analyzed by considering various relative position parameters (inclination angle θ and dimensionless spacing parameter λ and pit depth (d with the finite element method. According to the severity of the stress concentration, the critical corrosion regions, bearing high susceptibility to fatigue damage, are determined for intersecting and adjacent pits, respectively. A straightforward approach is accordingly proposed to conservatively estimate the combined stress concentration factor induced by two neighboring pits, and a concrete application example is presented. It is found that for intersecting pits, the normalized stress concentration factor Ktnor increases with the increase of θ and λ and always reaches its maximum at θ = 90°, yet for adjacent pits, Ktnor decreases with the increase of λ and the maximum value appears at a slight asymmetric location. The simulations reveal that Ktnor follows a linear and an exponential relationship with the dimensionless depth parameter Rd for intersecting and adjacent cases, respectively.

  18. Multivariate study of parameters in the determination of pesticide residues in apple by headspace solid phase microextraction coupled to gas chromatography-mass spectrometry using experimental factorial design.

    Science.gov (United States)

    Abdulra'uf, Lukman Bola; Tan, Guan Huat

    2013-12-15

    Solid-phase microextraction (SPME) is a solvent-less sample preparation method which combines sample preparation, isolation, concentration and enrichment into one step. In this study, multivariate strategy was used to determine the significance of the factors affecting the solid phase microextraction of pesticide residues (fenobucarb, diazinon, chlorothalonil and chlorpyrifos) using a randomised factorial design. The interactions and effects of temperature, time and salt addition on the efficiency of the extraction of the pesticide residues were evaluated using 2(3) factorial designs. The analytes were extracted with 100 μm PDMS fibres according to the factorial design matrix and desorbed into a gas chromatography-mass spectrometry detector. The developed method was applied for the analysis of apple samples and the limits of detection were between 0.01 and 0.2 μg kg(-)(1), which were lower than the MRLs for apples. The relative standard deviations (RSD) were between 0.1% and 13.37% with average recovery of 80-105%. The linearity ranges from 0.5-50 μg kg(-)(1) with correlation coefficient greater than 0.99. Copyright © 2013 Elsevier Ltd. All rights reserved.

  19. Quantitative relations between interaction parameter, miscibility and function in organic solar cells

    KAUST Repository

    Ye, Long; Hu, Huawei; Ghasemi, Masoud; Wang, Tonghui; Collins, Brian A; Kim, Joo-Hyun; Jiang, Kui; Carpenter, Joshua H.; Li, Hong; Li, Zhengke; McAfee, Terry; Zhao, Jingbo; Chen, Xiankai; Lai, Joshua Lin Yuk; Ma, Tingxuan; Bredas, Jean-Luc; Yan, He; Ade, Harald

    2018-01-01

    Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction-function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous-amorphous interaction parameter, χaa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative 'constant-kink-saturation' relation between χaa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χaa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general.

  20. Quantitative relations between interaction parameter, miscibility and function in organic solar cells

    KAUST Repository

    Ye, Long

    2018-02-02

    Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction-function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous-amorphous interaction parameter, χaa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative \\'constant-kink-saturation\\' relation between χaa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χaa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general.

  1. 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

  2. Quantifying Parameter Sensitivity, Interaction and Transferability in Hydrologically Enhanced Versions of Noah-LSM over Transition Zones

    Science.gov (United States)

    Rosero, Enrique; Yang, Zong-Liang; Wagener, Thorsten; Gulden, Lindsey E.; Yatheendradas, Soni; Niu, Guo-Yue

    2009-01-01

    We use sensitivity analysis to identify the parameters that are most responsible for shaping land surface model (LSM) simulations and to understand the complex interactions in three versions of the Noah LSM: the standard version (STD), a version enhanced with a simple groundwater module (GW), and version augmented by a dynamic phenology module (DV). We use warm season, high-frequency, near-surface states and turbulent fluxes collected over nine sites in the US Southern Great Plains. We quantify changes in the pattern of sensitive parameters, the amount and nature of the interaction between parameters, and the covariance structure of the distribution of behavioral parameter sets. Using Sobol s total and first-order sensitivity indexes, we show that very few parameters directly control the variance of the model output. Significant parameter interaction occurs so that not only the optimal parameter values differ between models, but the relationships between parameters change. GW decreases parameter interaction and appears to improve model realism, especially at wetter sites. DV increases parameter interaction and decreases identifiability, implying it is overparameterized and/or underconstrained. A case study at a wet site shows GW has two functional modes: one that mimics STD and a second in which GW improves model function by decoupling direct evaporation and baseflow. Unsupervised classification of the posterior distributions of behavioral parameter sets cannot group similar sites based solely on soil or vegetation type, helping to explain why transferability between sites and models is not straightforward. This evidence suggests a priori assignment of parameters should also consider climatic differences.

  3. 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

  4. 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.

  5. 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.

  6. Residual blood processing by centrifugation, cell salvage or ultrafiltration in cardiac surgery: effects on clinical hemostatic and ex-vivo rheological parameters.

    Science.gov (United States)

    Vonk, Alexander B; Muntajit, Warayouth; Bhagirath, Pranav; van Barneveld, Laurentius J; Romijn, Johannes W; de Vroege, Roel; Boer, Christa

    2012-10-01

    The study compared the effects of three blood concentration techniques after cardiopulmonary bypass on clinical hemostatic and ex-vivo rheological parameters. Residual blood of patients undergoing elective cardiac surgery was processed by centrifugation, cell salvage or ultrafiltration, and retransfused (n = 17 per group). Study parameters included blood loss, (free) hemoglobin, hematocrit, fibrinogen and erythrocyte aggregation, deformability and 2,3-diphosphoglycerate content. Patient characteristics were similar between groups. Ultrafiltration was associated with the highest weight of the transfusion bag [649 ± 261 vs. 320 ± 134 g (centrifugation) and 391 ± 158 g (cell salvage); P levels in the transfusion bag. Retransfusion of cell saver blood induced the largest gain in postoperative patient hemoglobin levels when compared to centrifugation and ultrafiltration, and was associated with the largest increase in 2,3-diphosphoglycerate when compared to ultrafiltration (Δ2,3-diphosphoglycerate 1.34 ± 1.92 vs. -0.77 ± 1.56 mmol/l; P = 0.03). Cell salvage is superior with respect to postoperative hemoglobin gain and washout of free hemoglobin when compared to centrifugation or ultrafiltration.

  7. Interaction of the protein transduction domain of HIV-1 TAT with heparan sulfate: binding mechanism and thermodynamic parameters.

    Science.gov (United States)

    Ziegler, André; Seelig, Joachim

    2004-01-01

    The positively charged protein transduction domain of the HIV-1 TAT protein (TAT-PTD; residues 47-57 of TAT) rapidly translocates across the plasma membrane of living cells. This property is exploited for the delivery of proteins, drugs, and genes into cells. The mechanism of this translocation is, however, not yet understood. Recent theories for translocation suggest binding of the protein transduction domain (PTD) to extracellular glycosaminoglycans as a possible mechanism. We have studied the binding equilibrium between TAT-PTD and three different glycosaminoglycans with high sensitivity isothermal titration calorimetry and provide the first quantitative thermodynamic description. The polysulfonated macromolecules were found to exhibit multiple identical binding sites for TAT-PTD with only small differences between the three species as far as the thermodynamic parameters are concerned. Heparan sulfate (HS, molecular weight, 14.2 +/- 2 kDa) has 6.3 +/- 1.0 independent binding sites for TAT-PTD which are characterized by a binding constant K0 = (6.0 +/- 0.6) x 10(5) M(-1) and a reaction enthalpy deltaHpep0 = -4.6 +/- 1.0 kcal/mol at 28 degrees C. The binding affinity, deltaGpep0, is determined to equal extent by enthalpic and entropic contributions. The HS-TAT-PTD complex formation entails a positive heat capacity change of deltaCp0 = +135 cal/mol peptide, which is characteristic of a charge neutralization reaction. This is in contrast to hydrophobic binding reactions which display a large negative heat capacity change. The stoichiometry of 6-7 TAT-PTD molecules per HS corresponds to an electric charge neutralization. Light scattering data demonstrate a maximum scattering intensity at this stoichiometric ratio, the intensity of which depends on the order of mixing of the two components. The data suggest cross-linking and/or aggregation of HS-TAT-PTD complexes. Two other glycosaminoglycans, namely heparin and chondroitin sulfate B, were also studied with isothermal

  8. The importance of residues 195-206 of human blood clotting factor VII in the interaction of factor VII with tissue factor

    International Nuclear Information System (INIS)

    Wildgoose, P.; Kisiel, W.; Kazim, A.L.

    1990-01-01

    Previous studies indicated that human and bovine factor VII exhibit 71% amino acid sequence identity. In the present study, competition binding experiments revealed that the interaction of human factor VII with cell-surface human tissue factor was not inhibited by 100-fold molar excess of bovine factor VII. This finding indicated that bovine and human factor VII are not structurally homologous in the region(s) where human factor VII interacts with human tissue factor. On this premise, the authors synthesized three peptides corresponding to regions of human factor VII that exhibited marked structural dissimilarity to bovine factor VII; these regions of dissimilarity included residues 195-206, 263-274, and 314-326. Peptide 195-206 inhibited the interaction of factor VII with cell-surface tissue factor and the activation of factor X by a complex of factor VIIa and tissue factor half-maximally at concentrations of 1-2 mM. A structurally rearranged form of peptide 195-206 containing an aspartimide residue inhibited these reactions half-maximally at concentrations of 250-300 μM. In contrast, neither peptide 263-274 nor peptide 314-326, at 2 mM concentration, significantly affected either factor VIIa interaction with tissue factor or factor VIIa-mediated activation of factor X. The data provide presumptive evidence that residues 195-206 of human factor VII are involved in the interaction of human factor VII with the extracellular domain of human tissue factor apoprotein

  9. Development of non-bonded interaction parameters between graphene and water using particle swarm optimization.

    Science.gov (United States)

    Bejagam, Karteek K; Singh, Samrendra; Deshmukh, Sanket A

    2018-05-05

    New Lennard-Jones parameters have been developed to describe the interactions between atomistic model of graphene, represented by REBO potential, and five commonly used all-atom water models, namely SPC, SPC/E, SPC/Fw, SPC/Fd, and TIP3P/Fs by employing particle swarm optimization (PSO) method. These new parameters were optimized to reproduce the macroscopic contact angle of water on a graphene sheet. The calculated line tension was in the order of 10 -11 J/m for the droplets of all water models. Our molecular dynamics simulations indicate the preferential orientation of water molecules near graphene-water interface with one OH bond pointing toward the graphene surface. Detailed analysis of simulation trajectories reveals the presence of water molecules with ≤∼1, ∼2, and ∼4 hydrogen bonds at the surface of air-water interface, graphene-water interface, and bulk region of the water droplet, respectively. Presence of water molecules with ≤∼1 and ∼2 hydrogen bonds suggest the existence of water clusters of different sizes at these interfaces. The trends observed in the libration, bending, and stretching bands of the vibrational spectra are closely associated with these structural features of water. The inhomogeneity in hydrogen bond network of water at the air-water and graphene-water interface is manifested by broadening of the peaks in the libration band for water present at these interfaces. The stretching band for the molecules in water droplet shows a blue shift as compared to the pure bulk water, which conjecture the presence of weaker hydrogen bond network in a droplet. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  10. The method of extraction of subspectra with appreciably different values of hyperfine interaction parameters from Moessbauer spectra

    International Nuclear Information System (INIS)

    Nemtsova, O.M.

    2006-01-01

    The task of Moessbauer spectra processing of complex locally inhomogeneous or multi-phase systems is to reveal subspectral contributions with appreciably different values of hyperfine interaction parameters (HFI) in them. A universal method of processing such spectra is suggested which allows to extract the probability density distribution (PDD) of HFI parameters corresponding to the subspectra with essentially different parameters values. The basis of the method is Tikhonov's regularization method with selection for each subspectrum its own value of the regularization parameter. The universal application of the method is demonstrated in the examples of processing real spectra with different sets of subspectral contributions

  11. 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.

  12. Research of interaction between technological and material parameters during densification of sunflower hulls

    Science.gov (United States)

    Križan, Peter; Matúš, Miloš; Beniak, Juraj; Šooš, Ľubomír

    2018-01-01

    During the biomass densification can be recognized various technological variables and also material parameters which significantly influences the final solid biofuels (pellets) quality. In this paper, we will present the research findings concerning relationships between technological and material variables during densification of sunflower hulls. Sunflower hulls as an unused source is a typical product of agricultural industry in Slovakia and belongs to the group of herbaceous biomass. The main goal of presented experimental research is to determine the impact of compression pressure, compression temperature and material particle size distribution on final biofuels quality. Experimental research described in this paper was realized by single-axis densification, which was represented by experimental pressing stand. The impact of mentioned investigated variables on the final briquettes density and briquettes dilatation was determined. Mutual interactions of these variables on final briquettes quality are showing the importance of mentioned variables during the densification process. Impact of raw material particle size distribution on final biofuels quality was also proven by experimental research on semi-production pelleting plant.

  13. Interaction of antimicrobial preservatives with blow-fill-seal packs: correlating sorption with solubility parameters.

    Science.gov (United States)

    Amin, Aeshna; Dare, Manish; Sangamwar, Abhay; Bansal, Arvind Kumar

    2012-01-01

    The aim of this work was to study the interaction of four commonly used ophthalmic antimicrobial preservatives [benzyl alcohol (BA), chlorbutol (CBL), benzalkonium chloride (BKC), and chlorhexidine gluconate (CG)] with Blow-Fill-Seal (BFS) packs. Effect of packaging material [low-density polyethylene (LDPE), polypropylene (PP)], humidity (25% RH, 75% RH) and concentration (0.5, 1.0, 2.0 mM BA/CBL in LDPE) was studied. BKC and CG gave negligible loss (<4%) in BFS packs over a period of 3 months. BA and CBL, however, gave marked losses in LDPE (ca. 70-90%) and PP (ca. 7-25%) packs. Humidity did not have any effect on the sorption loss of any preservative. Loss of BA switched from Case II to anomalous behavior with increasing initial concentration. A two-stage sorption behavior was inherent at all concentrations. Loss of CBL followed anomalous behavior with biphasic kinetics of loss. It was concluded that all the four preservatives were appropriate for use in PP BFS packs. However, only BKC and CG were amenable to be used in LDPE BFS packs. Lastly, an empirical expression consisting of the "solubility parameter distance" and "molar volume" of preservatives was developed to correlate the preservative loss in LDPE with the physicochemical properties of the preservatives.

  14. Solubility of Methane, Ethane, and Propane in Pure Water Using New Binary Interaction Parameters

    Directory of Open Access Journals (Sweden)

    Masoud Behrouz

    2015-07-01

    Full Text Available Solubility of hydrocarbons in water is important due to ecological concerns and new restrictions on the existence of organic pollutants in water streams. Also, the creation of a thermodynamic model has required an advanced study of the phase equilibrium between water (as a basis for the widest spread muds and amines and gas hydrocarbon phases in wide temperature and pressure ranges. Therefore, it is of great interest to develop semi-empirical correlations, charts, or thermodynamic models for estimating the solubility of hydrocarbons in liquid water. In this work, a thermodynamic model based on Mathias modification of Sova-Redlich-Kwong (SRK equation of state is suggested using classical mixing rules with new binary interaction parameters which were used for two-component systems of hydrocarbons and water. Finally, the model results and their deviations in comparison with the experimental data are presented; these deviations were equal to 5.27, 6.06, and 4.1% for methane, ethane, and propane respectively.

  15. Interaction between Soil Physicochemical Parameters and Earthworm Communities in Irrigated Areas with Natural Water and Wastewaters

    Directory of Open Access Journals (Sweden)

    Kourtel Ghanem Nadra

    2017-01-01

    Full Text Available Our objective is to study interaction between physical and chemical properties of soils and their earthworm community characteristics in different areas irrigated by wastewaters and well waters. The fields have different topography and agricultural practices conditions and are located in two regions of Batna department (Eastern Algeria. Both regions are characterized by a semiarid climate with cold winters and Calcisol soils. Nine fields were subject of this study. Three of these fields are located in Ouled Si Slimane region whose irrigation is effectuated by natural waters of Kochbi effluent. The other six fields are located at edges of Wed El Gourzi, effluent from Batna city, and partially treated through water treatment station. The best rates of water saturation and infiltration as well as abundance of earthworms were recorded at sites characterized by irrigation with wastewaters downstream of El Gourzi effluent. PCA characterizes two major groups: a group of hydrodynamic infiltration parameters and structural index stability of soil, explained by fields irrigated with wastewaters downstream of El Gourzi effluent. This group includes chemical characteristics: pH and electric conductivity. The second group is the characteristics of earthworms and includes organic matter content, active limestone levels, and Shannon Biodiversity Index.

  16. Measurement of distance parameter using semiclassical model in various heavy ion interactions

    Energy Technology Data Exchange (ETDEWEB)

    Nasir, Tabassum [Department of Physics, Gomal University D.I. Khan (Pakistan); Khan, E U [Department of Physics, CIIT, Islamabad (Pakistan); Baluch, J J [Department of Environmental Sciences, CIIT, Abbottabad (Pakistan); Qureshi, I E [Pakistan Atomic Energy Commission, P.O. Box 1114, Islamabad (Pakistan); Sajid, M; Shahzad, M I; Khan, H A [Physics Research Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)

    2008-08-15

    The technique of solid state nuclear track detection was employed to collect data of elastic scattering as well as inelastic reaction channel. The elastic data of the reactions {sup 238}U+{sup 209}Bi, {sup 238}U+{sup 197}Au, {sup 208}Pb+{sup 197}Au and {sup 197}Au+{sup 197}Au were used to calculate the experimental elastic scattering cross-sections for various angular bins. The ratio of these cross-sections to Rutherford/Mott cross-sections were plotted with respect to distance d({theta}). Distance parameter d{sub 0} in all four reactions was obtained from the discontinuity of the slope following the method suggested in the semiclassical model. Partial reaction cross-sections were also obtained from the inelastic binary as well as multiprong events in the heavy ion interactions of {sup 208}Pb+{sup 197}Au and {sup 197}Au+{sup 197}Au both at 11.67 MeV/u beam energy. The higher values of partial cross-sections of two prong inelastic events as compared with {sigma}{sub 3} and {sigma}{sub 4} have been attributed to the emission of intermediate mass fragments in both the reactions.

  17. Electroweak oblique parameters as a probe of the trilinear Higgs boson self-interaction

    DEFF Research Database (Denmark)

    Kribs, Graham D.; Maier, Andreas; Rzehak, Heidi

    2017-01-01

    We calculate the two-loop contributions from a modified trilinear Higgs self-interaction, κλλSMvh3, to the electroweak oblique parameters S and T. Using the current bounds on S and T from electroweak measurements, we find the 95% C.L. constraint on the modified trilinear coupling to be -14.0≤κλ≤17.......4. The largest effects on S and T arise from two insertions of the modified trilinear coupling that result in T/S≃-3/2; remarkably, this is nearly parallel to the axis of the tightest experimental constraint in the S-T plane. No contributions to S and T arise from a modified Higgs quartic coupling at two......-loop order. These calculations utilized a gauge-invariant parametrization of the trilinear Higgs coupling in terms of higher-dimensional operators (H†H)n with n≥3. Interestingly, the bounds on κλ that we obtain are comparable to constraints from di-Higgs production at the LHC as well as recent bounds from...

  18. A study of photon interaction parameters in some commonly used solvents

    International Nuclear Information System (INIS)

    Singh, Tejbir; Kaur, Paramjeet; Singh, Parjit S

    2007-01-01

    Various parameters of dosimetric interest such as mass attenuation coefficients, effective atomic numbers and electron densities of some commonly used solvents such as acetonitrile (C 4 H 3 N), butanol (C 4 H 9 OH), chlorobenzene (C 6 H 5 Cl), diethylether (C 4 H 10 O), ethanol (C 2 H 5 OH), methanol (CH 3 OH), propanol (C 3 H 7 OH) and water (H 2 O) were computed in the wide energy range of 10 keV-100 GeV. A comparative study of two different methods used to compute effective atomic numbers has been done. It is observed that in the intermediate energy region (0.1-5 MeV), the mass attenuation coefficient values becomes almost the same for all the solvents, and the effective atomic number and electron density show almost constant values, whereas significant variation is observed in both lower (10-100 keV) and higher (5 MeV-100 GeV) energy regions for all the solvents, which may be due to the dominance of different partial interaction processes in different energy regions

  19. 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.

  20. Interaction between anxiety, depression, quality of life and clinical parameters in chronic tension-type headache.

    Science.gov (United States)

    Peñacoba-Puente, Cecilia; Fernández-de-Las-Peñas, César; González-Gutierrez, Jose L; Miangolarra-Page, Juan C; Pareja, Juan A

    2008-10-01

    Our aim was to investigate the mediating or moderating role of anxiety and depression in the relationship between headache clinical parameters and quality of life in Chronic Tension-Type Headache (CTTH). Twenty-five patients diagnosed with CTTH according to the criteria of the International Headache Society were studied. A headache diary was kept for 4 weeks in order to substantiate the diagnosis and record the pain history. Quality of life was assessed by means of the Medical Outcome Study (MOS) 36-Item Short-Form (SF-36) questionnaire. The Beck Depression Inventory (BDI-II) was used to assess depression, and the Trait Anxiety Scale (TA) from the State-Trait Anxiety Inventory was administered in order to assess anxiety. Moderating and mediating analyses were conducted with ordinary least squares multiple regression analysis using the SPSS General Linear Model procedure. Anxiety mediated the effect between headache frequency and quality of life, but not the effect of either headache intensity or duration. Anxiety totally mediated the effects of headache frequency on vitality, social functioning and mental health. On the other hand, depression modulated the effect in the mental health domain. The effect in the mental health domain was a function of the interaction between headache duration and depression (beta=-0.34, panxiety to be a moderating factor between intensity, frequency or duration of headache and perceived quality of life. Anxiety exerts a mediating effect, conditioning the relationship between headache frequency and some quality of life domains; depression seems to play an inherent role in the reduced quality of life of these patients, that is, it has a moderating effect.

  1. Cleaning verification: A five parameter study of a Total Organic Carbon method development and validation for the cleaning assessment of residual detergents in manufacturing equipment.

    Science.gov (United States)

    Li, Xue; Ahmad, Imad A Haidar; Tam, James; Wang, Yan; Dao, Gina; Blasko, Andrei

    2018-02-05

    A Total Organic Carbon (TOC) based analytical method to quantitate trace residues of clean-in-place (CIP) detergents CIP100 ® and CIP200 ® on the surfaces of pharmaceutical manufacturing equipment was developed and validated. Five factors affecting the development and validation of the method were identified: diluent composition, diluent volume, extraction method, location for TOC sample preparation, and oxidant flow rate. Key experimental parameters were optimized to minimize contamination and to improve the sensitivity, recovery, and reliability of the method. The optimized concentration of the phosphoric acid in the swabbing solution was 0.05M, and the optimal volume of the sample solution was 30mL. The swab extraction method was 1min sonication. The use of a clean room, as compared to an isolated lab environment, was not required for method validation. The method was demonstrated to be linear with a correlation coefficient (R) of 0.9999. The average recoveries from stainless steel surfaces at multiple spike levels were >90%. The repeatability and intermediate precision results were ≤5% across the 2.2-6.6ppm range (50-150% of the target maximum carry over, MACO, limit). The method was also shown to be sensitive with a detection limit (DL) of 38ppb and a quantitation limit (QL) of 114ppb. The method validation demonstrated that the developed method is suitable for its intended use. The methodology developed in this study is generally applicable to the cleaning verification of any organic detergents used for the cleaning of pharmaceutical manufacturing equipment made of electropolished stainless steel material. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. 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.

  3. Interactions between residue placement and earthworm ecological strategy affect aggregate turnover and N2O dynamics in agricultural soil

    NARCIS (Netherlands)

    Giannopoulos, G.; Pulleman, M.M.; Groenigen, van J.W.

    2010-01-01

    Previous laboratory studies using epigeic and anecic earthworms have shown that earthworm activity can considerably increase nitrous oxide (N2O) emissions from crop residues in soils. However, the universality of this effect across earthworm functional groups and its underlying mechanisms remain

  4. A single arginine residue is required for the interaction of the electron transferring flavoprotein (ETF) with three of its dehydrogenase partners.

    Science.gov (United States)

    Parker, Antony R

    2003-12-01

    The interaction of several dehydrogenases with the electron transferring flavoprotein (ETF) is a crucial step required for the successful transfer of electrons into the electron transport chain. The exact determinants regarding the interaction of ETF with its dehydrogenase partners are still unknown. Chemical modification of ETF with arginine-specific reagents resulted in the loss, to varying degrees, of activity with medium chain acyl-coenzyme A dehydrogenase (MCAD). The kinetic profiles showed the inactivations followed pseudo-first-order kinetics for all reagents used. For activity with MCAD, maximum inactivation of ETF was accomplished by 2,3-butanedione (4% residual activity after 120 min) and it was shown that modification of one arginine residue was responsible for the inactivation. Almost 100% restoration of this ETF activity was achieved upon incubation with free arginine. However, the same 2,3-butanedione modified ETF only possessed decreased activity with dimethylglycine-(DMGDH, 44%) and sarcosine- (SDH, 27%) dehydrogenases unlike the abolition with MCAD. Full protection of ETF from arginine modification by 2,3-butanedione was achieved using substrate-protected DMGDH, MCAD and SDH respectively. Cross-protection studies of ETF with the three dehydrogenases implied use of the same single arginine residue in the binding of all three dehydrogenases. These results lead us to conclude that this single arginine residue is essential in the binding of the ETF to MCAD, but only contributes partially to the binding of ETF to SDH and DMGDH and thus, the determinants of the dehydrogenase binding sites overlap but are not identical.

  5. 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.

  6. A modified Leslie-Gower predator-prey interaction model and parameter identifiability

    Science.gov (United States)

    Tripathi, Jai Prakash; Meghwani, Suraj S.; Thakur, Manoj; Abbas, Syed

    2018-01-01

    In this work, bifurcation and a systematic approach for estimation of identifiable parameters of a modified Leslie-Gower predator-prey system with Crowley-Martin functional response and prey refuge is discussed. Global asymptotic stability is discussed by applying fluctuation lemma. The system undergoes into Hopf bifurcation with respect to parameters intrinsic growth rate of predators (s) and prey reserve (m). The stability of Hopf bifurcation is also discussed by calculating Lyapunov number. The sensitivity analysis of the considered model system with respect to all variables is performed which also supports our theoretical study. To estimate the unknown parameter from the data, an optimization procedure (pseudo-random search algorithm) is adopted. System responses and phase plots for estimated parameters are also compared with true noise free data. It is found that the system dynamics with true set of parametric values is similar to the estimated parametric values. Numerical simulations are presented to substantiate the analytical findings.

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

    Science.gov (United States)

    Harrison, Neil; Shekhter, Arkady

    2015-03-01

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

  8. The differences in hadronic cross-sections and the residues of secondary reggeons in the quark-gluon model for strong interactions

    International Nuclear Information System (INIS)

    Kaidalov, A.B.; Volkovitsky, P.E.

    1981-01-01

    In the framework of the quark-gluon picture for strong interactions based on the topological expansion and the string model, the relations between t differences of hadronic cross- section are obtained. The system of equations for the contribution of secondary reggeons (rho, ω, f, A 2 and phi and f' poles) to the elastic scattering amplitudes for arbitrary hadrons is derived. It is shown that this system has a factorized solution and the secondary reggeon residues for all hadrons are expressed in terms of the universal function g(t). The model predictions are in a good agreement with experimental data [ru

  9. Intake of Fruits and Vegetables with Low-to-Moderate Pesticide Residues Is Positively Associated with Semen-Quality Parameters among Young Healthy Men123

    Science.gov (United States)

    Gaskins, Audrey J; Williams, Paige L; Mendiola, Jaime; Levine, Hagai; Hauser, Russ; Swan, Shanna H; Chavarro, Jorge E

    2016-01-01

    Background: Numerous studies have shown that occupational or environmental pesticide exposure can affect male fertility. There is less evidence, however, regarding any potentially adverse effects of pesticide residues in foods on markers of male fertility potential. Objectives: We examined the relations between fruit and vegetable intake, considering pesticide residue status, and semen quality and serum concentrations of reproductive hormones in healthy young men. Methods: The Rochester Young Men's Study is a cross-sectional study that recruited men aged 18–22 y (n = 189) in Rochester, New York. Participants completed a questionnaire, provided a semen sample, had a blood sample drawn, and underwent a physical examination at enrollment. Semen samples were analyzed for total sperm count, sperm concentration, morphology, motility, ejaculate volume, total motile count, and total normal count. Dietary intake during the previous year was assessed by a validated food-frequency questionnaire. Fruit and vegetables were categorized as having high [Pesticide Residue Burden Score (PRBS) ≥4] or low-to-moderate (PRBS vegetable intake with semen variables and reproductive hormones while adjusting for potential confounding factors. Results: The total intake of fruit and vegetables was unrelated to semen quality. However, the intake of fruit and vegetables with low-to-moderate pesticide residues was associated with a higher total sperm count and sperm concentration, whereas the intake of fruit and vegetables with high pesticide residues was unrelated to semen quality. On average, men in the highest quartile of low-to-moderate-pesticide fruit and vegetable intake (≥2.8 servings/d) had a 169% (95% CI: 45%, 400%) higher total sperm count and a 173% (95% CI: 57%, 375%) higher sperm concentration than did men in the lowest quartile (vegetables, regardless of pesticide-residue status, was not associated with reproductive hormone concentrations. Conclusions: The consumption of fruit

  10. Study of the experimental parameters associated to the determination of residual macro stresses in stainless steel tubes, through x-ray diffraction method

    International Nuclear Information System (INIS)

    Guimaraes, L.R.

    1990-01-01

    The basic principles related to the determination of residual macro stresses by X-rays diffractometry are present, whereas different techniques associated with the respective experimental errors are discussed. The residual stresses in two 304 L stainless steel tubes were measured using three models of diffractometers, Rigaku SG-8, Jeol JDX-11PA and Rigaku Strainflex. The measured values of stresses as well as the reproducibilities are examined. The suitability of peak location method, by fitting three data points to the parabolic function, is discussed through values of position and intensity obtained by two of the above diffractometers. (author)

  11. Study of the experimental parameters associated to the determination of residual macro stresses in stainless steel tubes through x-rays diffraction method

    International Nuclear Information System (INIS)

    Guimaraes, L.R.

    1990-01-01

    The basic principles related to the determination of residual macro stresses by X-rays diffractometry are present, whereas different techniques associated with the respective experimental errors are discussed. The residual stresses in two 304 L stainless steel tubes were measured using three models of diffractometers, Rigaku SG-8, Jeol JDX-11PA and Rigaku Strainflex. The measured values of stresses as well as the reproducibilities are examined. The suitability of peak location method, by fitting three data points to the parabolic function, is discussed through values of position and intensity obtained by two of the above diffractometers. (author)

  12. A novel method to survey parameters of an ion beam and its interaction with a target

    Science.gov (United States)

    Long, J. D.; Yang, Z.; Li, J.; Wang, X. H.; Wang, T.; Lan, C. H.; Dong, P.; Li, X.; He, J. L.; Zheng, L.; Liu, P.

    2017-09-01

    Beam profile and composition of the pulsed ion beam from a vacuum arc source are valuable information for designing a high-intensity deuterium-tritium neutron generator. Traditional methods are notoriously difficult to obtain the information at the same time. A novel off-line diagnostic method is presented, which can obtain the transverse beam profile with high resolution as well as species of the ions in the beam. The method is using a silicon target with high purity to interact with the ion beam, and then use secondary ion mass spectrometry (SIMS) to analyze the interaction zone of the target to get the beam information. More information on beam-target interaction could get simultaneously. Proof-of-principle simulation and experimental works have demonstrated this method is practical.

  13. Social Anxiety, Acute Social Stress, and Reward Parameters Interact to Predict Risky Decision-Making among Adolescents

    OpenAIRE

    Richards, Jessica M.; Patel, Nilam; Daniele, Teresa; MacPherson, Laura; Lejuez, C.W.; Ernst, Monique

    2014-01-01

    Risk-taking behavior increases during adolescence, leading to potentially disastrous consequences. Social anxiety emerges in adolescence and may compound risk-taking propensity, particularly during stress and when reward potential is high. However, the manner in which social anxiety, stress, and reward parameters interact to impact adolescent risk-taking is unclear. To clarify this question, a community sample of 35 adolescents (15 to 18 yo), characterized as having high or low social anxiety...

  14. 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.

  15. Identification of dominant interactions between climatic seasonality, catchment characteristics and agricultural activities on Budyko-type equation parameter estimation

    Science.gov (United States)

    Xing, Wanqiu; Wang, Weiguang; Shao, Quanxi; Yong, Bin

    2018-01-01

    Quantifying precipitation (P) partition into evapotranspiration (E) and runoff (Q) is of great importance for global and regional water availability assessment. Budyko framework serves as a powerful tool to make simple and transparent estimation for the partition, using a single parameter, to characterize the shape of the Budyko curve for a "specific basin", where the single parameter reflects the overall effect by not only climatic seasonality, catchment characteristics (e.g., soil, topography and vegetation) but also agricultural activities (e.g., cultivation and irrigation). At the regional scale, these influencing factors are interconnected, and the interactions between them can also affect the single parameter of Budyko-type equations' estimating. Here we employ the multivariate adaptive regression splines (MARS) model to estimate the Budyko curve shape parameter (n in the Choudhury's equation, one form of the Budyko framework) of the selected 96 catchments across China using a data set of long-term averages for climatic seasonality, catchment characteristics and agricultural activities. Results show average storm depth (ASD), vegetation coverage (M), and seasonality index of precipitation (SI) are three statistically significant factors affecting the Budyko parameter. More importantly, four pairs of interactions are recognized by the MARS model as: The interaction between CA (percentage of cultivated land area to total catchment area) and ASD shows that the cultivation can weaken the reducing effect of high ASD (>46.78 mm) on the Budyko parameter estimating. Drought (represented by the value of Palmer drought severity index 0.23) tend to enhance the Budyko parameter reduction by large SI (>0.797). Low vegetation coverage (34.56%) is likely to intensify the rising effect on evapotranspiration ratio by IA (percentage of irrigation area to total catchment area). The Budyko n values estimated by the MARS model reproduce the calculated ones by the observation well

  16. Intake of Fruits and Vegetables with Low-to-Moderate Pesticide Residues Is Positively Associated with Semen-Quality Parameters among Young Healthy Men.

    Science.gov (United States)

    Chiu, Yu-Han; Gaskins, Audrey J; Williams, Paige L; Mendiola, Jaime; Jørgensen, Niels; Levine, Hagai; Hauser, Russ; Swan, Shanna H; Chavarro, Jorge E

    2016-05-01

    Numerous studies have shown that occupational or environmental pesticide exposure can affect male fertility. There is less evidence, however, regarding any potentially adverse effects of pesticide residues in foods on markers of male fertility potential. We examined the relations between fruit and vegetable intake, considering pesticide residue status, and semen quality and serum concentrations of reproductive hormones in healthy young men. The Rochester Young Men's Study is a cross-sectional study that recruited men aged 18-22 y (n = 189) in Rochester, New York. Participants completed a questionnaire, provided a semen sample, had a blood sample drawn, and underwent a physical examination at enrollment. Semen samples were analyzed for total sperm count, sperm concentration, morphology, motility, ejaculate volume, total motile count, and total normal count. Dietary intake during the previous year was assessed by a validated food-frequency questionnaire. Fruit and vegetables were categorized as having high [Pesticide Residue Burden Score (PRBS) ≥4] or low-to-moderate (PRBS sperm count and sperm concentration, whereas the intake of fruit and vegetables with high pesticide residues was unrelated to semen quality. On average, men in the highest quartile of low-to-moderate-pesticide fruit and vegetable intake (≥2.8 servings/d) had a 169% (95% CI: 45%, 400%) higher total sperm count and a 173% (95% CI: 57%, 375%) higher sperm concentration than did men in the lowest quartile (sperm counts in young men unselected by fertility status. This suggests that pesticide residues may modify the beneficial effects of fruit and vegetable intake on semen quality. © 2016 American Society for Nutrition.

  17. 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....

  18. Impact parameter analysis of proton-proton elastic and inelastic interactions at 360 GeV/c

    International Nuclear Information System (INIS)

    Banerjee, S.; Ragavan, R.; Bailly, J

    1987-01-01

    Data obtained with the European Hybrid Spectrometer on the proton-proton elastic scattering at 360 GeV/c are presented. The differential cross sections of elastic and inelastic pp-interactions are studied as a function of the impact parameter. The results are compared to those obtained at other energies. They are interpreted in the framework of a simple geometrical Monte-Carlo model of inelastic collisions considering protons as composite particles having a definite effective radius with valence quarks inside. The shape of the inelastic overlap function is well reproduced for both pp- and π + p-interactions. The effective radii of the proton and pion as well as of the valence quarks are estimated for inelastic interactions. The model calculations indicate an increase of the effective radii both of protons and valence quarks and an increase of the proton opacity with increasing energy

  19. Investigation of shock compressed plasma parameters by interaction with magnetic field

    International Nuclear Information System (INIS)

    Dudin, S. V.; Fortov, V. E.; Gryaznov, V. K.; Mintsev, V. B.; Shilkin, N. S.; Ushnurtsev, A. E.

    1998-01-01

    The Hall effect parameters in shock compressed air, helium and xenon have been estimated and results of experiments with air and helium plasma are presented. Explosively driven shock tubes were used for the generation of strong shock waves. To obtain magnetic field a solenoid was winded over the shock tube. Calculations of dense shock compressed plasma parameters were carried out to plan the experiments. In the experiments with the magnetic field of ∼5 T it was found, that air plasma slug was significantly heated by the whirlwind electrical field. The reflected shock waves technique was used in the experiments with helium. Results on measurements of electrical conductivity and electron concentration of helium are presented

  20. 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

  1. Creating and Exploring Huge Parameter Spaces: Interactive Evolution as a Tool for Sound Generation

    DEFF Research Database (Denmark)

    Dahlstedt, Palle

    2001-01-01

    In this paper, a program is presented that applies interactive evolution to sound generation, i.e., preferred individuals are repeatedly selected from a population of genetically bred sound objects, created with various synthesis and pattern generation algorithms. This simplifies aural exploration...... applications. It is also shown how this technique can be used to simplify sound design in standard hardware synthesizers, a task normally avoided by most musicians, due to the required amount of technical understanding....

  2. Assessing the relative importance of parameter and forcing uncertainty and their interactions in conceptual hydrological model simulations

    Science.gov (United States)

    Mockler, E. M.; Chun, K. P.; Sapriza-Azuri, G.; Bruen, M.; Wheater, H. S.

    2016-11-01

    Predictions of river flow dynamics provide vital information for many aspects of water management including water resource planning, climate adaptation, and flood and drought assessments. Many of the subjective choices that modellers make including model and criteria selection can have a significant impact on the magnitude and distribution of the output uncertainty. Hydrological modellers are tasked with understanding and minimising the uncertainty surrounding streamflow predictions before communicating the overall uncertainty to decision makers. Parameter uncertainty in conceptual rainfall-runoff models has been widely investigated, and model structural uncertainty and forcing data have been receiving increasing attention. This study aimed to assess uncertainties in streamflow predictions due to forcing data and the identification of behavioural parameter sets in 31 Irish catchments. By combining stochastic rainfall ensembles and multiple parameter sets for three conceptual rainfall-runoff models, an analysis of variance model was used to decompose the total uncertainty in streamflow simulations into contributions from (i) forcing data, (ii) identification of model parameters and (iii) interactions between the two. The analysis illustrates that, for our subjective choices, hydrological model selection had a greater contribution to overall uncertainty, while performance criteria selection influenced the relative intra-annual uncertainties in streamflow predictions. Uncertainties in streamflow predictions due to the method of determining parameters were relatively lower for wetter catchments, and more evenly distributed throughout the year when the Nash-Sutcliffe Efficiency of logarithmic values of flow (lnNSE) was the evaluation criterion.

  3. 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...

  4. Critical parameters of Quark-Hadron phase transition with interacting and massive quarks

    International Nuclear Information System (INIS)

    Singh, C.P.; Patra, B.K.

    1994-06-01

    Current techniques to simulate the dynamical behaviour of Quark-Gluon Plasma (QGP) reveal that the order of the phase transition as well as the values of the critical parameters depend on the number of quark flavours as well as on the quark-masses included in the simulation. We attempt to show here the effects of the number of quark flavours and quark-masses on critical parameters by using the perturbative, finite temperature field theory to g 3 s order in the strong coupling g s . We treat the hadrons as particles with finite size and its implications on the equation of state for hadron gas are studied. We find that the critical temperature T c is lowered by 9 MeV as we move from two to three quark flavours. The nature of the phase transition always remains as first order. However, the inclusion of quark-masses in our calculation does not affect the result much. (author). 14 refs, 3 figs

  5. The role of a second-shell residue in modifying substrate and inhibitor interactions in the SHV beta-lactamase: a study of ambler position Asn276.

    Science.gov (United States)

    Drawz, Sarah M; Bethel, Christopher R; Hujer, Kristine M; Hurless, Kelly N; Distler, Anne M; Caselli, Emilia; Prati, Fabio; Bonomo, Robert A

    2009-06-02

    Inhibitor-resistant class A beta-lactamases of the TEM and SHV families that arise by single amino acid substitutions are a significant threat to the efficacy of beta-lactam/beta-lactamase inhibitor combinations. To better understand the basis of the inhibitor-resistant phenotype in SHV, we performed mutagenesis to examine the role of a second-shell residue, Asn276. Of the 19 variants expressed in Escherichia coli, only the Asn276Asp enzyme demonstrated reduced susceptibility to ampicillin/clavulanate (MIC increased from 50/2 --> 50/8 microg/mL) while maintaining high-level resistance to ampicillin (MIC = 8192 microg/mL). Steady-state kinetic analyses of Asn276Asp revealed slightly diminished k(cat)/K(m) for all substrates tested. In contrast, we observed a 5-fold increase in K(i) for clavulanate (7.4 +/- 0.9 microM for Asn276Asp vs 1.4 +/- 0.2 microM for SHV-1) and a 40% reduction in k(inact)/K(I) (0.013 +/- 0.002 microM(-1 )s(-1) for Asn276Asp vs 0.021 +/- 0.004 microM(-1) s(-1) for SHV-1). Timed electrospray ionization mass spectrometry of clavulanate-inhibited SHV-1 and SHV Asn276Asp showed nearly identical mass adducts, arguing for a similar pathway of inactivation. Molecular modeling shows that novel electrostatic interactions are formed between Arg244Neta2 and both 276AspOdelta1 and Odelta2; these new forces restrict the spatial position of Arg244, a residue important in the recognition of the C(3)/C(4) carboxylate of beta-lactam substrates and inhibitors. Testing the functional consequences of this interaction, we noted considerable free energy costs (+DeltaDeltaG) for substrates and inhibitors. A rigid carbapenem (meropenem) was most affected by the Asn276Asp substitution (46-fold increase in K(i) vs SHV-1). We conclude that residue 276 is an important second-shell residue in class A beta-lactamase-mediated resistance to substrates and inhibitors, and only Asn is able to precisely modulate the conformational flexibility of Arg244 required for successful

  6. Ab Initio Calculation of Hyperfine Interaction Parameters: Recent Evolutions, Recent Examples

    International Nuclear Information System (INIS)

    Cottenier, Stefaan; Vanhoof, Veerle; Torumba, Doru; Bellini, Valerio; Cakmak, Mehmet; Rots, Michel

    2004-01-01

    For some years already, ab initio calculations based on Density Functional Theory (DFT) belong to the toolbox of the field of hyperfine interaction studies. In this paper, the standard ab initio approach is schematically sketched. New features, methods and possibilities that broke through during the past few years are listed, and their relation to the standard approach is explained. All this is illustrated by some highlights of recent ab initio work done by the Nuclear Condensed Matter Group at the K.U.Leuven.

  7. Study of parameters important to soil-structure interaction in seismic analyses of nuclear power plants

    International Nuclear Information System (INIS)

    Nelson, T.A.

    1983-12-01

    The development of state-of-the-art techniques for analyzing the effects of soil-structure interaction (SSI) on structures during earthquakes is outlined. Emphasis is placed on methods to account for energy dissipation as a result of both wave propagation away from the structure's foundation and hysteretic soil response. Solution techniques are grouped into two major types: substructure methods, which break the problem into a series of steps; and direct methods, which analyze the soil-structure model in one step. In addition to theoretical and historical development of SSI methodology, case studies are presented illustrating the application of these solution techniques. 94 references

  8. (Surfactant + polymer) interaction parameter studied by (liquid + liquid) equilibrium data of quaternary aqueous solution containing surfactant, polymer, and salt

    Energy Technology Data Exchange (ETDEWEB)

    Foroutan, Masumeh [Physical Chemistry Department, School of Chemistry, College of Science, University of Tehran, 14155-6455 Tehran (Iran, Islamic Republic of)], E-mail: foroutan@khayam.ut.ac.ir; Heidari, Nosrat; Mohammadlou, Maryam [Chemistry Department, Faculty of Science, Uremia University, Uremia (Iran, Islamic Republic of); Sojahrood, Amin Jafari [Physics Department, Faculty of Science, Uremia University, Uremia (Iran, Islamic Republic of)

    2009-02-15

    (Liquid + liquid) equilibrium (LLE) data of quaternary aqueous system containing polyoxyethylene (20) cetyl ether (with abbreviation name Brij 58, non-ionic surfactant), diammonium hydrogen phosphate, and poly ethylene glycol (PEG) with three molar masses {l_brace}M{sub W} = (1000, 6000, and 35,000) g . mol{sup -1}{r_brace} have been determined experimentally at T = 313.15 K. Furthermore, the Flory-Huggins theory with two electrostatic terms (Debye-Hueckel and Pitzer-Debye-Hueckel equations) have been used to calculate the phase behavior of the quaternary systems and (surfactant + polymer) interaction parameter as well as interaction parameters between other species. Temperature dependency of the parameters of the Flory-Huggins theory has been obtained. Also an effort have been done to show that addition of PEG as well as increasing the temperature can shift the binodal curves of the ternary aqueous system containing surfactant and salt to lower mole fraction of salt. Also the effect of polymer molar mass on the binodal diagram displacement has been discussed.

  9. Dynamical vanishing of the order parameter in a confined Bardeen-Cooper-Schrieffer Fermi gas after an interaction quench

    Science.gov (United States)

    Hannibal, S.; Kettmann, P.; Croitoru, M. D.; Axt, V. M.; Kuhn, T.

    2018-01-01

    We present a numerical study of the Higgs mode in an ultracold confined Fermi gas after an interaction quench and find a dynamical vanishing of the superfluid order parameter. Our calculations are done within a microscopic density-matrix approach in the Bogoliubov-de Gennes framework which takes the three-dimensional cigar-shaped confinement explicitly into account. In this framework, we study the amplitude mode of the order parameter after interaction quenches starting on the BCS side of the BEC-BCS crossover close to the transition and ending in the BCS regime. We demonstrate the emergence of a dynamically vanishing superfluid order parameter in the spatiotemporal dynamics in a three-dimensional trap. Further, we show that the signal averaged over the whole trap mirrors the spatiotemporal behavior and allows us to systematically study the effects of the system size and aspect ratio on the observed dynamics. Our analysis enables us to connect the confinement-induced modifications of the dynamics to the pairing properties of the system. Finally, we demonstrate that the signature of the Higgs mode is contained in the dynamical signal of the condensate fraction, which, therefore, might provide a new experimental access to the nonadiabatic regime of the Higgs mode.

  10. A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process.

    Science.gov (United States)

    Gueto-Tettay, Carlos; Martinez-Consuegra, Alejandro; Zuchniarz, Joshua; Gueto-Tettay, Luis Roberto; Drosos-Ramírez, Juan Carlos

    2017-09-01

    BACE1 is an enzyme of scientific interest because it participates in the progression of Alzheimer's disease. Hydroxyethylamines (HEAs) are a family of compounds which exhibit inhibitory activity toward BACE1 at a nanomolar level, favorable pharmacokinetic properties and oral bioavailability. The first step in the inhibition of BACE1 by HEAs consists of their entrance into the protease active site and the resultant conformational change in the protein, from Apo to closed form. These two conformations differ in the position of an antiparallel loop (called the flap) which covers the entrance to the catalytic site. For BACE1, closure of this flap is vital to its catalytic activity and to inhibition of the enzyme due to the new interactions thereby formed with the ligand. In the present study a dynamic energy landscape of residue-ligand interaction energies (ReLIE) measured for 112 amino acids in the BACE1 active site and its immediate vicinity during the closure of the flap induced by 8 HEAs of different inhibitory power is presented. A total of 6.272 million ReLIE calculations, based on the PM7 semiempirical method, provided a deep and quantitative view of the first step in the inhibition of the aspartyl protease. The information suggests that residues Asp93, Asp289, Thr292, Thr293, Asn294 and Arg296 are anchor points for the ligand, accounting for approximately 45% of the total protein-ligand interaction. Additionally, flap closure improved the BACE1-HEA interaction by around 25%. Furthermore, the inhibitory activity of HEAs could be related to the capacity of these ligands to form said anchor point interactions and maintain them over time: the lack of some of these anchor interactions delayed flap closure or impeded it completely, or even caused the flap to reopen. The methodology employed here could be used as a tool to evaluate future structural modifications which lead to improvements in the favorability and stability of BACE1-HEA ReLIEs, aiding in the design of

  11. Spectral singularities, biorthonormal systems and a two-parameter family of complex point interactions

    International Nuclear Information System (INIS)

    Mostafazadeh, Ali; Mehri-Dehnavi, Hossein

    2009-01-01

    A curious feature of complex scattering potentials v(x) is the appearance of spectral singularities. We offer a quantitative description of spectral singularities that identifies them with an obstruction to the existence of a complete biorthonormal system consisting of the eigenfunctions of the Hamiltonian operator and its adjoint. We establish the equivalence of this description with the mathematicians' definition of spectral singularities for the potential v(x) = z - δ(x + a) + z + δ(x - a), where z ± and a are respectively complex and real parameters and δ(x) is the Dirac delta function. We offer a through analysis of the spectral properties of this potential and determine the regions in the space of the coupling constants z ± where it admits bound states and spectral singularities. In particular, we find an explicit bound on the size of certain regions in which the Hamiltonian is quasi-Hermitian and examine the consequences of imposing PT-symmetry

  12. Maize root lectins mediate the interaction with Herbaspirillum seropedicae via N-acetyl glucosamine residues of lipopolysaccharides.

    Directory of Open Access Journals (Sweden)

    Eduardo Balsanelli

    Full Text Available Herbaspirillum seropedicae is a plant growth-promoting diazotrophic betaproteobacterium which associates with important crops, such as maize, wheat, rice and sugar-cane. We have previously reported that intact lipopolysaccharide (LPS is required for H. seropedicae attachment and endophytic colonization of maize roots. In this study, we present evidence that the LPS biosynthesis gene waaL (codes for the O-antigen ligase is induced during rhizosphere colonization by H. seropedicae. Furthermore a waaL mutant strain lacking the O-antigen portion of the LPS is severely impaired in colonization. Since N-acetyl glucosamine inhibits H. seropedicae attachment to maize roots, lectin-like proteins from maize roots (MRLs were isolated and mass spectrometry (MS analysis showed that MRL-1 and MRL-2 correspond to maize proteins with a jacalin-like lectin domain, while MRL-3 contains a B-chain lectin domain. These proteins showed agglutination activity against wild type H. seropedicae, but failed to agglutinate the waaL mutant strain. The agglutination reaction was severely diminished in the presence of N-acetyl glucosamine. Moreover addition of the MRL proteins as competitors in H. seropedicae attachment assays decreased 80-fold the adhesion of the wild type to maize roots. The results suggest that N-acetyl glucosamine residues of the LPS O-antigen bind to maize root lectins, an essential step for efficient bacterial attachment and colonization.

  13. Maize root lectins mediate the interaction with Herbaspirillum seropedicae via N-acetyl glucosamine residues of lipopolysaccharides.

    Science.gov (United States)

    Balsanelli, Eduardo; Tuleski, Thalita Regina; de Baura, Valter Antonio; Yates, Marshall Geoffrey; Chubatsu, Leda Satie; Pedrosa, Fabio de Oliveira; de Souza, Emanuel Maltempi; Monteiro, Rose Adele

    2013-01-01

    Herbaspirillum seropedicae is a plant growth-promoting diazotrophic betaproteobacterium which associates with important crops, such as maize, wheat, rice and sugar-cane. We have previously reported that intact lipopolysaccharide (LPS) is required for H. seropedicae attachment and endophytic colonization of maize roots. In this study, we present evidence that the LPS biosynthesis gene waaL (codes for the O-antigen ligase) is induced during rhizosphere colonization by H. seropedicae. Furthermore a waaL mutant strain lacking the O-antigen portion of the LPS is severely impaired in colonization. Since N-acetyl glucosamine inhibits H. seropedicae attachment to maize roots, lectin-like proteins from maize roots (MRLs) were isolated and mass spectrometry (MS) analysis showed that MRL-1 and MRL-2 correspond to maize proteins with a jacalin-like lectin domain, while MRL-3 contains a B-chain lectin domain. These proteins showed agglutination activity against wild type H. seropedicae, but failed to agglutinate the waaL mutant strain. The agglutination reaction was severely diminished in the presence of N-acetyl glucosamine. Moreover addition of the MRL proteins as competitors in H. seropedicae attachment assays decreased 80-fold the adhesion of the wild type to maize roots. The results suggest that N-acetyl glucosamine residues of the LPS O-antigen bind to maize root lectins, an essential step for efficient bacterial attachment and colonization.

  14. A flexible, interactive software tool for fitting the parameters of neuronal models.

    Science.gov (United States)

    Friedrich, Péter; Vella, Michael; Gulyás, Attila I; Freund, Tamás F; Káli, Szabolcs

    2014-01-01

    The construction of biologically relevant neuronal models as well as model-based analysis of experimental data often requires the simultaneous fitting of multiple model parameters, so that the behavior of the model in a certain paradigm matches (as closely as possible) the corresponding output of a real neuron according to some predefined criterion. Although the task of model optimization is often computationally hard, and the quality of the results depends heavily on technical issues such as the appropriate choice (and implementation) of cost functions and optimization algorithms, no existing program provides access to the best available methods while also guiding the user through the process effectively. Our software, called Optimizer, implements a modular and extensible framework for the optimization of neuronal models, and also features a graphical interface which makes it easy for even non-expert users to handle many commonly occurring scenarios. Meanwhile, educated users can extend the capabilities of the program and customize it according to their needs with relatively little effort. Optimizer has been developed in Python, takes advantage of open-source Python modules for nonlinear optimization, and interfaces directly with the NEURON simulator to run the models. Other simulators are supported through an external interface. We have tested the program on several different types of problems of varying complexity, using different model classes. As targets, we used simulated traces from the same or a more complex model class, as well as experimental data. We successfully used Optimizer to determine passive parameters and conductance densities in compartmental models, and to fit simple (adaptive exponential integrate-and-fire) neuronal models to complex biological data. Our detailed comparisons show that Optimizer can handle a wider range of problems, and delivers equally good or better performance than any other existing neuronal model fitting tool.

  15. A flexible, interactive software tool for fitting the parameters of neuronal models

    Directory of Open Access Journals (Sweden)

    Péter eFriedrich

    2014-07-01

    Full Text Available The construction of biologically relevant neuronal models as well as model-based analysis of experimental data often requires the simultaneous fitting of multiple model parameters, so that the behavior of the model in a certain paradigm matches (as closely as possible the corresponding output of a real neuron according to some predefined criterion. Although the task of model optimization is often computationally hard, and the quality of the results depends heavily on technical issues such as the appropriate choice (and implementation of cost functions and optimization algorithms, no existing program provides access to the best available methods while also guiding the user through the process effectively. Our software, called Optimizer, implements a modular and extensible framework for the optimization of neuronal models, and also features a graphical interface which makes it easy for even non-expert users to handle many commonly occurring scenarios. Meanwhile, educated users can extend the capabilities of the program and customize it according to their needs with relatively little effort. Optimizer has been developed in Python, takes advantage of open-source Python modules for nonlinear optimization, and interfaces directly with the NEURON simulator to run the models. Other simulators are supported through an external interface. We have tested the program on several different types of problem of varying complexity, using different model classes. As targets, we used simulated traces from the same or a more complex model class, as well as experimental data. We successfully used Optimizer to determine passive parameters and conductance densities in compartmental models, and to fit simple (adaptive exponential integrate-and-fire neuronal models to complex biological data. Our detailed comparisons show that Optimizer can handle a wider range of problems, and delivers equally good or better performance than any other existing neuronal model fitting

  16. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer

    DEFF Research Database (Denmark)

    Hanni, Matti; Lantto, Perttu; Ilias, Miroslav

    2007-01-01

    Relativistic effects on the 129Xe nuclear magnetic resonance shielding and 131Xe nuclear quadrupole coupling (NQC) tensors are examined in the weakly bound Xe2 system at different levels of theory including the relativistic four-component Dirac-Hartree-Fock (DHF) method. The intermolecular...... interaction-induced binary chemical shift d, the anisotropy of the shielding tensor ?s, and the NQC constant along the internuclear axis ?ll are calculated as a function of the internuclear distance. DHF shielding calculations are carried out using gauge-including atomic orbitals. For comparison, the full...... is obtained for d and ?s in Xe2. For these properties, the currently most complete theoretical description is obtained by a piecewise approximation where the uncorrelated relativistic DHF results obtained close to the basis-set limit are corrected, on the one hand, for NR correlation effects and, on the other...

  17. Structure effect on the interaction of phenylurea herbicides with model biomembrane as an environmental mobility parameter.

    Science.gov (United States)

    Librando, Vito; Forte, Stefano; Sarpietro, Maria G

    2004-01-15

    During recent years, intensive use of herbicides has raised increasing concern mainly due to their massive pollution of the environment. As these herbicides are directly or indirectly toxic to a wide range of organisms, their potential for contaminating soil, surface water, and groundwater makes these xenobiotics of special interest from a health and environmental point of view. Knowledge of the mechanisms by which they exert their toxic effects is becoming a need. Because of the herbicides' lipophilicity, a possible site of interaction in the cell is represented by biomembranes. The interaction of four herbicides, difenoxuron, diuron, linuron, and metoxuron, with model membranes constituted of dimyristoylphosphatidylcholine multilamellar vesicles was investigated by the differential scanning calorimetry technique. The aim was to study the effects exerted by an increasing amount of the examined compounds on thermotropic behavior of the model phospholipid membranes and to correlate the obtained results with structural features of the herbicides due to their environmental mobility. Among the herbicides studied, linuron is the most effective in perturbing the ordinate structure of vesicles forming phospholipids, whereas metoxuron is the least effective and the others exert an intermediate effect. Linuron exerts its effect both on the transition temperature of the gel to the liquid crystalline phase and on the enthalpy change. Difenoxuron, diuron, and metoxuron cause a change in the transition temperature but have an insignificant effect on the enthalpy change. The calorimetric results, correlated with the structural features of the herbicides, are consistent with their partition coefficient, log K(ow), suggesting that the more hydrophobic compound character causes a greater liposolubility and consequential cellular absorption with more effectiveness on the membrane order.

  18. 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

  19. Shell Effect and Temperature Influence on Nuclear Level Density Parameter: the role of the effective mass interaction

    International Nuclear Information System (INIS)

    Queipo-Ruiz, J.; Guzman-Martinez, F.; Rodriguez-Hoyos, O.

    2011-01-01

    The level density parameter is a very important ingredient in statistic study of nuclear reaction, it has been studied to low energies excitation E < 2MeV where it values is approximately constant, experimental results to energies of excitation more than 2 MeV has been obtained of evaporation spectrum, to nuclei with A=160. In this work we present a calculation of densities level parameter, for a wide range of mass and temperature, taking in accounts the shell effects and the mass effective interaction. The result has been carried out within the semi classical approximation, for the single particle level densities. We results have a reasonable agreement with the experimental data available. (Author)

  20. 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.

  1. Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions.

    Science.gov (United States)

    Khayet, Mohamed; Fernández, Victoria

    2012-11-14

    Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions.

  2. Biophysical parameters of erythrocyte membranes and mechanisms of interaction with non-opioid analgesics under acute pain syndrome

    Directory of Open Access Journals (Sweden)

    Yu. I. Gubskyi

    2014-06-01

    Full Text Available Methods of fluorescent probing, spectrophotometry and microcalorimetry were applied to investigate the alterations in biophysical parameters of erythrocytes membranes, and specifically microviscosity, surface charge, molecular organization of lipid bilayer and lipid-protein interactions under conditions of acute pain syndrome produced by experimental chemical lesion. The distinctive features of non-opiod analgesics interactions and binding to the erythrocytes membranes of rats subjected to acute nociceptive pain accompanied with oxidative stress development were investigated. The abilities of analgesics under research, and namely paracetamol, aspirin, phenazone, ketorolac, pyrodazole, ketoprofenum, natrium mefenaminate, indometacin, nimesulide to make up physico-chemical complexes with lipoperoxidation modified erythrocytes surface and protein-lipid bilayer showed marked changes. The significance of oxidative damage of biophase under conditions of acute pain syndrome for analgesics effective pharmacodynamics and pharmacokinetics realization is under consideration.

  3. Spectral singularities, biorthonormal systems and a two-parameter family of complex point interactions

    Energy Technology Data Exchange (ETDEWEB)

    Mostafazadeh, Ali [Department of Mathematics, Koc University, Rumelifeneri Yolu, 34450 Sariyer, Istanbul (Turkey); Mehri-Dehnavi, Hossein [Department of Physics, Institute for Advanced Studies in Basic Sciences, Zanjan 45195-1159 (Iran, Islamic Republic of)], E-mail: amostafazadeh@ku.edu.tr, E-mail: mehrideh@iasbs.ac.ir

    2009-03-27

    A curious feature of complex scattering potentials v(x) is the appearance of spectral singularities. We offer a quantitative description of spectral singularities that identifies them with an obstruction to the existence of a complete biorthonormal system consisting of the eigenfunctions of the Hamiltonian operator and its adjoint. We establish the equivalence of this description with the mathematicians' definition of spectral singularities for the potential v(x) = z{sub -}{delta}(x + a) + z{sub +}{delta}(x - a), where z{sub {+-}} and a are respectively complex and real parameters and {delta}(x) is the Dirac delta function. We offer a through analysis of the spectral properties of this potential and determine the regions in the space of the coupling constants z{sub {+-}} where it admits bound states and spectral singularities. In particular, we find an explicit bound on the size of certain regions in which the Hamiltonian is quasi-Hermitian and examine the consequences of imposing PT-symmetry.

  4. Plasma parameters and electromagnetic forces induced by the magneto hydro dynamic interaction in a hypersonic argon flow experiment

    International Nuclear Information System (INIS)

    Cristofolini, Andrea; Neretti, Gabriele; Borghi, Carlo A.

    2012-01-01

    This work proposes an experimental analysis on the magneto hydro dynamic (MHD) interaction induced by a magnetic test body immersed into a hypersonic argon flow. The characteristic plasma parameters are measured. They are related to the voltages arising in the Hall direction and to the variation of the fluid dynamic properties induced by the interaction. The tests have been performed in a hypersonic wind tunnel at Mach 6 and Mach 15. The plasma parameters are measured in the stagnation region in front of the nozzle of the wind tunnel and in the free stream region at the nozzle exit. The test body has a conical shape with the cone axis in the gas flow direction and the cone vertex against the flow. It is placed at the nozzle exit and is equipped with three permanent magnets. In the configuration adopted, the Faraday current flows in a closed loop completely immersed into the plasma of the shock layer. The electric field and the pressure variation due to MHD interaction have been measured on the test body walls. Microwave adsorption measurements have been used for the determination of the electron number density and the electron collision frequency. Continuum recombination radiation and line radiation emissions have been detected. The electron temperature has been determined by means of the spectroscopic data by using different methods. The electron number density has been also determined by means of the Stark broadening of H α and the H β lines. Optical imaging has been utilized to visualize the pattern of the electric current distribution in the shock layer around the test body. The experiments show a considerable effect of the electromagnetic forces produced by the MHD interaction acting on the plasma flow around the test body. A comparison of the experimental data with simulation results shows a good agreement.

  5. Ionic interaction of myosin loop 2 with residues located beyond the N-terminal part of actin probed by chemical cross-linking.

    Science.gov (United States)

    Pliszka, Barbara; Martin, Brian M; Karczewska, Emilia

    2008-02-01

    To probe ionic contacts of skeletal muscle myosin with negatively charged residues located beyond the N-terminal part of actin, myosin subfragment 1 (S1) and actin split by ECP32 protease (ECP-actin) were cross-linked with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC). We have found that unmodified S1 can be cross-linked not only to the N-terminal part, but also to the C-terminal 36 kDa fragment of ECP-actin. Subsequent experiments performed on S1 cleaved by elastase or trypsin indicate that the cross-linking site in S1 is located within loop 2. This site is composed of Lys-636 and Lys-637 and can interact with negatively charged residues of the 36 kDa actin fragment, most probably with Glu-99 and Glu-100. Cross-links are formed both in the absence and presence of MgATP.P(i) analog, although the addition of nucleotide decreases the efficiency of the cross-linking reaction.

  6. Quantification of interaction and topological parameters of polyisoprene star polymers under good solvent conditions

    KAUST Repository

    Rai, Durgesh K.

    2016-05-05

    Mass fractal scaling, reflected in the mass fractal dimension df, is independently impacted by topology, reflected in the connectivity dimension c, and by tortuosity, reflected in the minimum dimension dmin. The mass fractal dimension is related to these other dimensions by df=cdmin. Branched fractal structures have a higher mass fractal dimension compared to linear structures due to a higher c, and extended structures have a lower dimension compared to convoluted self-avoiding and Gaussian walks due to a lower dmin. It is found, in this work, that macromolecules in thermodynamic equilibrium display a fixed mass fractal dimension df under good solvent conditions, regardless of chain topology. These equilibrium structures accommodate changes in chain topology such as branching c by a decrease in chain tortuosity dmin. Symmetric star polymers are used to understand the structure of complex macromolecular topologies. A recently published hybrid Unified scattering function accounts for interarm correlations in symmetric star polymers along with polymer-solvent interaction for chains of arbitrary scaling dimension. Dilute solutions of linear, three-arm and six-arm polyisoprene stars are studied under good solvent conditions in deuterated p-xylene. Reduced chain tortuosity can be viewed as steric straightening of the arms. Steric effects for star topologies are quantified, and it is found that steric straightening of arms is more significant for lower-molecular-weight arms. The observation of constant df is explained through a modification of Flory-Krigbaum theory for branched polymers.

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

    Science.gov (United States)

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

    2009-05-01

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

  8. 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.

  9. Excitation functions for some evaporation residues identified in the interaction of 20Ne and 93Nb at moderate excitation energies

    International Nuclear Information System (INIS)

    Agarwal, Avinash; Rizvi, I.A.; Gupta, Meenal; Ahamad, Tauseef; Ghugre, S.S.; Sinha, A.K.; Chaubey, A.K.

    2008-01-01

    With the motivation of studying the complete and incomplete fusion reactions, excitation functions for the reactions 93 Nb(Ne, p2n) 110 Sn, 93 Nb(Ne, 2pn) 110 In, 93 Nb(Ne, 2p2n) 109 In, 93 Nb(Ne, αn) 108 In, 93 Nb(Neα2n) 107 In and 93 Nb(Ne, α p n) 107 Cd have been measured at the incident energy ranging from 91.4 MeV - 145 MeV. The well established activation technique followed by off line high purity gamma- ray spectroscopy was employed. The measured excitation functions were compared with the statistical model calculations by using the codes ALICE-91 and Pace-4. The effect of variation of different parameters including level density parameter involved in these codes has also been studied. Excellent agreement was found between theoretical and experimental values in some of the fusion evaporation reaction channels. However, significant enhancement of cross-section observed in α-emission channels may be due to incomplete fusion process. (author)

  10. Unexpected alignment patterns in high-j intruder bands evidence for a strong residual neutron proton interaction?

    International Nuclear Information System (INIS)

    Wyss, R.; Johnson, A.; Royal Inst. of Tech., Stockholm

    1990-01-01

    The alignment of h 11/12 protons in νi 13/2 intruder bands in mass A = 130 region is investigated. The lack of a clear h 11/12 band crossing is compared with the alignment pattern of i 13/2 neutrons in πi 13/2 intruder bands in mass A = 180 region. The very smooth rise in angular momentum in the intruder bands is related to a possible neutron proton interaction between the single intruder orbital and the aligned two-quasiparticle configuration. 36 refs., 3 figs

  11. 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

  12. Investigation of interaction between alkoxy substituted phthalocyanines with different lengths of alkyl residue and bovine serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Lebedeva, Natalya Sh., E-mail: nsl@isc-ras.ru [G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya, 1, 153045 Ivanovo (Russian Federation); Gubarev, Yury A.; Vyugin, Anatoly I. [G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya, 1, 153045 Ivanovo (Russian Federation); Koifman, Oscar I. [Research Institute of Macroheterocycles of Ivanovo State University of Chemistry and Technology, 153000 Ivanovo (Russian Federation)

    2015-10-15

    Interaction between bovine serum albumin and alkoxy substituted phthalocyanines was studied by means of electron absorption spectroscopy, fluorescence spectroscopy and viscosimetry. The binding constants and binding distance were calculated. It was found that ZnPc(4-NH-CO-C{sub 6}H{sub 4}-OC{sub 10}H{sub 21}){sub 4} prevents twisting of BSA molecule and localizes between subdomains IB and IIA in protein globule. ZnPc(4-NH-CO-C{sub 6}H{sub 4}-OC{sub 6}H{sub 13}){sub 4} and ZnPc(4-NH-CO-C{sub 6}H{sub 4}-OC{sub 8}H{sub 17}){sub 4} are located on the outer surface of the protein globule. In the case of ZnPc(4-NH-CO-C{sub 6}H{sub 4}-OC{sub 3}H{sub 7}){sub 4} it can be assumed that the phthalocyanine molecule is in the immediate vicinity of the subdomains IB and IIA. - Highlights: • Interaction between bovine serum albumin and alkoxy substituted phthalocyanines was studied by means of electron absorption spectroscopy, fluorescence spectroscopy and viscosimetry. • The binding constants and binding distance were calculated by using the Scatchard method. • Photochemical characteristics of phthalocyanines of studied phthalocyanines are defined. • Localization of phthalocyanines on the protein globule is defined.

  13. Interactive effects of salinity stress and nicotinamide on physiological and biochemical parameters of Faba bean plant

    International Nuclear Information System (INIS)

    Abdelhamid, Magdi T; Sadak, Mervat Sh; Schmidhalter, Urs; El Saady, Abdel Kareem M.

    2013-01-01

    solutes concentrations in seeds of salinity treated plants. Nicotinamide not only neutralized the effect of salinity stress but resulted in a significant improvement in physiological and biochemical parameters as well as the concentrations of soluble sugars, proline, amino acids, and total N and other mineral contents.

  14. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer.

    Science.gov (United States)

    Hanni, Matti; Lantto, Perttu; Ilias, Miroslav; Jensen, Hans Jorgen Aagaard; Vaara, Juha

    2007-10-28

    Relativistic effects on the (129)Xe nuclear magnetic resonance shielding and (131)Xe nuclear quadrupole coupling (NQC) tensors are examined in the weakly bound Xe(2) system at different levels of theory including the relativistic four-component Dirac-Hartree-Fock (DHF) method. The intermolecular interaction-induced binary chemical shift delta, the anisotropy of the shielding tensor Deltasigma, and the NQC constant along the internuclear axis chi( parallel) are calculated as a function of the internuclear distance. DHF shielding calculations are carried out using gauge-including atomic orbitals. For comparison, the full leading-order one-electron Breit-Pauli perturbation theory (BPPT) is applied using a common gauge origin. Electron correlation effects are studied at the nonrelativistic (NR) coupled-cluster singles and doubles with perturbational triples [CCSD(T)] level of theory. The fully relativistic second-order Moller-Plesset many-body perturbation (DMP2) theory is used to examine the cross coupling between correlation and relativity on NQC. The same is investigated for delta and Deltasigma by BPPT with a density functional theory model. A semiquantitative agreement between the BPPT and DHF binary property curves is obtained for delta and Deltasigma in Xe(2). For these properties, the currently most complete theoretical description is obtained by a piecewise approximation where the uncorrelated relativistic DHF results obtained close to the basis-set limit are corrected, on the one hand, for NR correlation effects and, on the other hand, for the BPPT-based cross coupling of relativity and correlation. For chi( parallel), the fully relativistic DMP2 results obtain a correction for NR correlation effects beyond MP2. The computed temperature dependence of the second virial coefficient of the (129)Xe nuclear shielding is compared to experiment in Xe gas. Our best results, obtained with the piecewise approximation for the binary chemical shift combined with the

  15. 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

  16. Personalized Nutrition-Genes, Diet, and Related Interactive Parameters as Predictors of Cancer in Multiethnic Colorectal Cancer Families.

    Science.gov (United States)

    Shiao, S Pamela K; Grayson, James; Lie, Amanda; Yu, Chong Ho

    2018-06-20

    To personalize nutrition, the purpose of this study was to examine five key genes in the folate metabolism pathway, and dietary parameters and related interactive parameters as predictors of colorectal cancer (CRC) by measuring the healthy eating index (HEI) in multiethnic families. The five genes included methylenetetrahydrofolate reductase ( MTHFR ) 677 and 1298, methionine synthase ( MTR ) 2756, methionine synthase reductase ( MTRR 66), and dihydrofolate reductase ( DHFR ) 19bp , and they were used to compute a total gene mutation score. We included 53 families, 53 CRC patients and 53 paired family friend members of diverse population groups in Southern California. We measured multidimensional data using the ensemble bootstrap forest method to identify variables of importance within domains of genetic, demographic, and dietary parameters to achieve dimension reduction. We then constructed predictive generalized regression (GR) modeling with a supervised machine learning validation procedure with the target variable (cancer status) being specified to validate the results to allow enhanced prediction and reproducibility. The results showed that the CRC group had increased total gene mutation scores compared to the family members ( p < 0.05). Using the Akaike's information criterion and Leave-One-Out cross validation GR methods, the HEI was interactive with thiamine (vitamin B1), which is a new finding for the literature. The natural food sources for thiamine include whole grains, legumes, and some meats and fish which HEI scoring included as part of healthy portions (versus limiting portions on salt, saturated fat and empty calories). Additional predictors included age, as well as gender and the interaction of MTHFR 677 with overweight status (measured by body mass index) in predicting CRC, with the cancer group having more men and overweight cases. The HEI score was significant when split at the median score of 77 into greater or less scores, confirmed through

  17. Interaction of carbon nanoparticles to serum albumin: elucidation of the extent of perturbation of serum albumin conformations and thermodynamical parameters

    Energy Technology Data Exchange (ETDEWEB)

    Mandal, Samir [Molecular and Human Genetics Division, CSIR-Indian Institute of Chemical Biology, Kolkata 700032 (India); Hossain, Maidul [Biophysical Chemistry Laboratory, CSIR-Indian Institute of Chemical Biology, Kolkata 700032 (India); Devi, P. Sujatha [Nano-Structured Materials Division, CSIR-Central Glass and Ceramic Research Institute, Kolkata 700032 (India); Kumar, Gopinatha Suresh [Biophysical Chemistry Laboratory, CSIR-Indian Institute of Chemical Biology, Kolkata 700032 (India); Chaudhuri, Keya, E-mail: keya.chaudhuri@gmail.com [Molecular and Human Genetics Division, CSIR-Indian Institute of Chemical Biology, Kolkata 700032 (India)

    2013-03-15

    Highlights: ► Strong interaction of serum albumins to CNPs and potential toxicity. ► Partial unfolding and alteration of BSA and HSA secondary structure by CNP. ► Significant insight into design of nanoparticles in biomedical applications. -- Abstract: Carbon nanoparticles continuously generated from industries and vehicles due to incomplete combustion of fuels is one of the potent causes of air pollution. The exposure of this polluted air with carbon nanoparticles, introduced into the bloodstream of animals in the course of respiration, motivated us to study their interaction with plasma proteins, bovine serum albumin and human serum albumin. Carbon nanoparticles with very small size and high purity were synthesized by dehydration of D-glucose using concentrated sulphuric acid as dehydrating agent. These were characterized by transmission electron microscopy, atomic force microscopy, X-ray diffraction, Raman spectroscopy, FTIR spectroscopy and UV–visible spectroscopy. Carbon nanoparticles-protein interactions were studied by fluorescence spectroscopy, circular dichroism spectroscopy and isothermal titration calorimetry. The fluorescence quenching constants and thermodynamic parameters such as enthalpy change (ΔH°), entropy change (ΔS°) and free energy change (ΔG°) were calculated, which indicated a strong static quenching and primary electrostatic interaction between the carbon nanoparticles and blood proteins. Circular dichroism spectra provided the information about the secondary structure alteration of the proteins in presence of carbon nanoparticles. These findings have shed light towards an understanding of the interactions between carbon nanoparticles and serum proteins which may clarify the potential risks and undesirable health effects of carbon nanoparticles, as well as the related cellular trafficking and systemic translocation.

  18. Electronic polarizability, optical basicity and interaction parameter for Nd2O3 doped lithium-zinc-phosphate glasses

    Science.gov (United States)

    Algradee, M. A.; Sultan, M.; Samir, O. M.; Alwany, A. Elwhab B.

    2017-08-01

    The Nd3+-doped lithium-zinc-phosphate glasses were prepared by means of conventional melt quenching method. X-ray diffraction results confirmed the glassy nature of the studied glasses. The physical parameters such as the density, molar volume, ion concentration, polaron radius, inter-ionic distance, field strength and oxygen packing density were calculated using different formulae. The transmittance and reflectance spectra of glasses were recorded in the wavelength range 190-1200 nm. The values of optical band gap and Urbach energy were determined based on Mott-Davis model. The refractive indices for the studied glasses were evaluated from optical band gap values using different methods. The average electronic polarizability of the oxide ions, optical basicity and an interaction parameter were investigated from the calculated values of the refractive index and the optical band gap for the studied glasses. The variations in the different physical and optical properties of glasses with Nd2O3 content were discussed in terms of different parameters such as non-bridging oxygen and different concentrations of Nd cation in glass system.

  19. Non-Synonymous Single-Nucleotide Polymorphisms and Physical Activity Interactions on Adiposity Parameters in Malaysian Adolescents

    Directory of Open Access Journals (Sweden)

    Nur Lisa Zaharan

    2018-04-01

    Full Text Available BackgroundSeveral non-synonymous single-nucleotide polymorphisms (nsSNPs have been shown to be associated with obesity. Little is known about their associations and interactions with physical activity (PA in relation to adiposity parameters among adolescents in Malaysia.MethodsWe examined whether (a PA and (b selected nsSNPs are associated with adiposity parameters and whether PA interacts with these nsSNPs on these outcomes in adolescents from the Malaysian Health and Adolescents Longitudinal Research Team study (n = 1,151. Body mass indices, waist–hip ratio, and percentage body fat (% BF were obtained. PA was assessed using Physical Activity Questionnaire for Older Children (PAQ-C. Five nsSNPs were included: beta-3 adrenergic receptor (ADRB3 rs4994, FABP2 rs1799883, GHRL rs696217, MC3R rs3827103, and vitamin D receptor rs2228570, individually and as combined genetic risk score (GRS. Associations and interactions between nsSNPs and PAQ-C scores were examined using generalized linear model.ResultsPAQ-C scores were associated with % BF (β = −0.44 [95% confidence interval −0.72, −0.16], p = 0.002. The CC genotype of ADRB3 rs4994 (β = −0.16 [−0.28, −0.05], corrected p = 0.01 and AA genotype of MC3R rs3827103 (β = −0.06 [−0.12, −0.00], p = 0.02 were significantly associated with % BF compared to TT and GG genotypes, respectively. Significant interactions with PA were found between ADRB3 rs4994 (β = −0.05 [−0.10, −0.01], p = 0.02 and combined GRS (β = −0.03 [−0.04, −0.01], p = 0.01 for % BF.ConclusionHigher PA score was associated with reduced % BF in Malaysian adolescents. Of the nsSNPs, ADRB3 rs4994 and MC3R rs3827103 were associated with % BF. Significant interactions with PA were found for ADRB3 rs4994 and combined GRS on % BF but not on measurements of weight or circumferences. Targeting body fat represent prospects for molecular studies and lifestyle intervention

  20. Non-Synonymous Single-Nucleotide Polymorphisms and Physical Activity Interactions on Adiposity Parameters in Malaysian Adolescents.

    Science.gov (United States)

    Zaharan, Nur Lisa; Muhamad, Nor Hanisah; Jalaludin, Muhammad Yazid; Su, Tin Tin; Mohamed, Zahurin; Mohamed, M N A; A Majid, Hazreen

    2018-01-01

    Several non-synonymous single-nucleotide polymorphisms (nsSNPs) have been shown to be associated with obesity. Little is known about their associations and interactions with physical activity (PA) in relation to adiposity parameters among adolescents in Malaysia. We examined whether (a) PA and (b) selected nsSNPs are associated with adiposity parameters and whether PA interacts with these nsSNPs on these outcomes in adolescents from the Malaysian Health and Adolescents Longitudinal Research Team study ( n  = 1,151). Body mass indices, waist-hip ratio, and percentage body fat (% BF) were obtained. PA was assessed using Physical Activity Questionnaire for Older Children (PAQ-C). Five nsSNPs were included: beta-3 adrenergic receptor (ADRB3) rs4994, FABP2 rs1799883, GHRL rs696217, MC3R rs3827103, and vitamin D receptor rs2228570, individually and as combined genetic risk score (GRS). Associations and interactions between nsSNPs and PAQ-C scores were examined using generalized linear model. PAQ-C scores were associated with % BF (β = -0.44 [95% confidence interval -0.72, -0.16], p  = 0.002). The CC genotype of ADRB3 rs4994 (β = -0.16 [-0.28, -0.05], corrected p  = 0.01) and AA genotype of MC3R rs3827103 (β = -0.06 [-0.12, -0.00], p  = 0.02) were significantly associated with % BF compared to TT and GG genotypes, respectively. Significant interactions with PA were found between ADRB3 rs4994 (β = -0.05 [-0.10, -0.01], p  = 0.02) and combined GRS (β = -0.03 [-0.04, -0.01], p  = 0.01) for % BF. Higher PA score was associated with reduced % BF in Malaysian adolescents. Of the nsSNPs, ADRB3 rs4994 and MC3R rs3827103 were associated with % BF. Significant interactions with PA were found for ADRB3 rs4994 and combined GRS on % BF but not on measurements of weight or circumferences. Targeting body fat represent prospects for molecular studies and lifestyle intervention in this population.

  1. The quadrupole moment and strong interaction parameters from muonic and pionic X-ray studies of 237Np

    International Nuclear Information System (INIS)

    Laat, C.T.A.M. de; Taal, A.; Duinker, W.; Konijn, J.; Petitjean, C.; Reist, H.W.; Mueller, W.; Commission of the European Communities, Geel

    1987-01-01

    The X-ray spectrum of muonic and pionic 237 Np has been investigated with muons and pions stopped in a NpO 2 target. The nuclear spectroscopic quadrupole moment was determined to be Q=3.886±0.006 b from the splittings of the muonic 5g→4f hyperfine complexes. The B(E2)↓-values for the first and second excited states were evaluated as 3.17±0.08 and 2.77±0.10 e 2 b 2 , respectively. A comparison between the muonic and pionic 5g→4f hyperfine complexes yields the strong interaction parameter for the pionic 4f state. For the first time a change of sign as function of Z for the strong interaction quadrupole shift ε 2 (4f) has been observed. The standard optical model predictions agree reasonably well with the measured strong interaction monopole shift, ε 0 (4f), and width, Γ 0 (4f), while they disagree with the experimental value for ε 2 . A stronger s-wave repulsion in the optical potential could explain this effect. (orig.)

  2. Determination of average molecular parameters of vacuum residues and asphalt by elementary analysis and 1 H NMR and comparison with 13 C NMR results

    International Nuclear Information System (INIS)

    Teixeira, Marco Antonio; Marques, Rosana Garrido

    1995-01-01

    This work proposes a new approach for determining average molecular parameters in petroleum fractions, from some approximation based on consideration about average composition of petroleum heavy fractions. A comparative evaluation between the proposed method and the traditional one has been carried out, showing 60 hours saving in time spent at analysis. The results were present and discussed

  3. Study of Ecotype and Sowing Date Interaction in Cumin (Cuminum cyminum L. using Different Univariate Stability Parameters

    Directory of Open Access Journals (Sweden)

    J Ghanbari

    2017-06-01

    Full Text Available Introduction Cumin is one of the most important medicinal plants in Iran and today, it is in the second level of popularity between spices in the world after black pepper. Cumin is an aromatic plant used as flavoring and seasoning agent in foods. Cumin seeds have been found to possess significant biological and have been used for treatment of toothache, dyspepsia, diarrhoea, epilepsy and jaundice. Knowledge of GEI is advantageous to have a cultivar that gives consistently high yield in a broad range of environments and to increase efficiency of breeding program and selection of best genotypes. A genotype that has stable trait expression across environments contributes little to GEI and its performance should be more predictable from the main several statistical methods have been proposed for stability analysis, with the aim of explaining the information contained in the GEI. Regression technique was proposed by Finlay and Wilkinson (1963 and was improved by Eberhart and Russell (1966. Generally, genotype stability was estimated by the slope of and deviation from the regression line for each of the genotypes. This is a popular method in stability analysis and has been applied in many crops. Non-parametric methods (rank mean (R, standard deviation rank (SDR and yield index ratio (YIR, environmental variance (S2i and genotypic variation coefficient (CVi Wricke's ecovalence and Shukla's stability variance (Shukla, 1972 have been used to determine genotype-by-environment interaction in many studies. This study was aimed to evaluate the ecotype × sowing date interaction in cumin and to evaluation of genotypic response of cumin to different sowing dates using univariate stability parameters. Materials and Methods In order to study of ecotype × sowing date interaction, different cumin ecotypes: Semnan, Fars, Yazd, Golestan, Khorasan-Razavi, Khorasan-Shomali, Khorasan-Jonoubi, Isfahan and Kerman in 5 different sowing dates (26th December, 10th January

  4. Residual stresses

    International Nuclear Information System (INIS)

    Sahotra, I.M.

    2006-01-01

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

  5. The heparin/heparan sulfate sequence that interacts with cyclophilin B contains a 3-O-sulfated N-unsubstituted glucosamine residue.

    Science.gov (United States)

    Vanpouille, Christophe; Deligny, Audrey; Delehedde, Maryse; Denys, Agnès; Melchior, Aurélie; Liénard, Xavier; Lyon, Malcolm; Mazurier, Joël; Fernig, David G; Allain, Fabrice

    2007-08-17

    Many of the biological functions of heparan sulfate (HS) proteoglycans can be attributed to specialized structures within HS moieties, which are thought to modulate binding and function of various effector proteins. Cyclophilin B (CyPB), which was initially identified as a cyclosporin A-binding protein, triggers migration and integrin-mediated adhesion of peripheral blood T lymphocytes by a mechanism dependent on interaction with cell surface HS. Here we determined the structural features of HS that are responsible for the specific binding of CyPB. In addition to the involvement of 2-O,6-O, and N-sulfate groups, we also demonstrated that binding of CyPB was dependent on the presence of N-unsubstituted glucosamine residues (GlcNH2), which have been reported to be precursors for sulfation by 3-O-sulfotransferases-3 (3-OST-3). Interestingly, 3-OST-3B isoform was found to be the main 3-OST isoenzyme expressed in peripheral blood T lymphocytes and Jurkat T cells. Moreover, down-regulation of the expression of 3-OST-3 by RNA interference potently reduced CyPB binding and consequent activation of p44/42 mitogen-activated protein kinases. Altogether, our results strongly support the hypothesis that 3-O-sulfation of GlcNH2 residues could be a key modification that provides specialized HS structures for CyPB binding to responsive cells. Given that 3-O-sulfation of GlcNH2-containing HS by 3-OST-3 also provides binding sites for glycoprotein gD of herpes simplex virus type I, these findings suggest an intriguing structural linkage between the HS sequences involved in CyPB binding and viral infection.

  6. Interaction of fisetin with human serum albumin by fluorescence, circular dichroism spectroscopy and DFT calculations: binding parameters and conformational changes

    International Nuclear Information System (INIS)

    Matei, Iulia; Ionescu, Sorana; Hillebrand, Mihaela

    2011-01-01

    The interaction between fisetin, an antioxidant and neuroprotective flavonoid, and human serum albumin (HSA) is investigated by means of fluorescence (steady-state, synchronous, time-resolved) and circular dichroism (CD) spectroscopy. The formation of a 1:1 complex with a constant of about 10 5 M -1 was evidenced. Foerster's resonance energy transfer and competitive binding with site markers warfarin and ibuprofen were considered and discussed. Changes in the CD band of HSA indicate a decrease in the α-helix content upon binding. An induced CD signal for bound fisetin was observed and rationalized in terms of density functional theory calculations. - Highlights: → Fisetin-BSA system was studied by fluorescence spectroscopy. → Binding parameters, association constant and number of sites were estimated. → Binding site of fisetin was identified by competitive experiments. → Conformational changes in HSA and fisetin were evidenced by circular dichroism. → TDDFT calculated CD spectra supported the experimental data.

  7. Interaction of fisetin with human serum albumin by fluorescence, circular dichroism spectroscopy and DFT calculations: binding parameters and conformational changes

    Energy Technology Data Exchange (ETDEWEB)

    Matei, Iulia; Ionescu, Sorana [Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta 4-12, 030018 Bucharest (Romania); Hillebrand, Mihaela, E-mail: mihh@gw-chimie.math.unibuc.ro [Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta 4-12, 030018 Bucharest (Romania)

    2011-08-15

    The interaction between fisetin, an antioxidant and neuroprotective flavonoid, and human serum albumin (HSA) is investigated by means of fluorescence (steady-state, synchronous, time-resolved) and circular dichroism (CD) spectroscopy. The formation of a 1:1 complex with a constant of about 10{sup 5} M{sup -1} was evidenced. Foerster's resonance energy transfer and competitive binding with site markers warfarin and ibuprofen were considered and discussed. Changes in the CD band of HSA indicate a decrease in the {alpha}-helix content upon binding. An induced CD signal for bound fisetin was observed and rationalized in terms of density functional theory calculations. - Highlights: > Fisetin-BSA system was studied by fluorescence spectroscopy. > Binding parameters, association constant and number of sites were estimated. > Binding site of fisetin was identified by competitive experiments. > Conformational changes in HSA and fisetin were evidenced by circular dichroism. > TDDFT calculated CD spectra supported the experimental data.

  8. Residual stresses

    International Nuclear Information System (INIS)

    Macherauch, E.

    1978-01-01

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

  9. Social Anxiety, Acute Social Stress, and Reward Parameters Interact to Predict Risky Decision-Making among Adolescents

    Science.gov (United States)

    Richards, Jessica M.; Patel, Nilam; Daniele, Teresa; MacPherson, Laura; Lejuez, C.W.; Ernst, Monique

    2014-01-01

    Risk-taking behavior increases during adolescence, leading to potentially disastrous consequences. Social anxiety emerges in adolescence and may compound risk-taking propensity, particularly during stress and when reward potential is high. However, the manner in which social anxiety, stress, and reward parameters interact to impact adolescent risk-taking is unclear. To clarify this question, a community sample of 35 adolescents (15 to 18 yo), characterized as having high or low social anxiety, participated in a 2-day study, during each of which they were exposed to either a social stress or a control condition, while performing a risky decision-making task. The task manipulated, orthogonally, reward magnitude and probability across trials. Three findings emerged. First, reward magnitude had a greater impact on the rate of risky decisions in high social anxiety (HSA) than low social anxiety (LSA) adolescents. Second, reaction times (RTs) were similar during the social stress and the control conditions for the HSA group, whereas the LSA group’s RTs differed between conditions. Third, HSA adolescents showed the longest RTs on the most negative trials. These findings suggest that risk-taking in adolescents is modulated by context and reward parameters differentially as a function of social anxiety. PMID:25465884

  10. Social anxiety, acute social stress, and reward parameters interact to predict risky decision-making among adolescents.

    Science.gov (United States)

    Richards, Jessica M; Patel, Nilam; Daniele-Zegarelli, Teresa; MacPherson, Laura; Lejuez, C W; Ernst, Monique

    2015-01-01

    Risk-taking behavior increases during adolescence, leading to potentially disastrous consequences. Social anxiety emerges in adolescence and may compound risk-taking propensity, particularly during stress and when reward potential is high. However, the manner in which social anxiety, stress, and reward parameters interact to impact adolescent risk-taking is unclear. To clarify this question, a community sample of 35 adolescents (15-18yo), characterized as having high or low social anxiety, participated in a study over two separate days, during each of which they were exposed to either a social stress or a control condition, while performing a risky decision-making task. The task manipulated, orthogonally, reward magnitude and probability across trials. Three findings emerged. First, reward magnitude had a greater impact on the rate of risky decisions in high social anxiety (HSA) than low social anxiety (LSA) adolescents. Second, reaction times (RTs) were similar during the social stress and the control conditions for the HSA group, whereas the LSA group's RTs differed between conditions. Third, HSA adolescents showed the longest RTs on the most negative trials. These findings suggest that risk-taking in adolescents is modulated by context and reward parameters differentially as a function of social anxiety. Published by Elsevier Ltd.

  11. Evaluation of intensity and energy interaction parameters for the complexation of Pr(III) with selected nucleoside and nucleotide through absorption spectral studies

    Science.gov (United States)

    Bendangsenla, N.; Moaienla, T.; David Singh, Th.; Sumitra, Ch.; Rajmuhon Singh, N.; Indira Devi, M.

    2013-02-01

    The interactions of Pr(III) with nucleosides and nucleotides have been studied in different organic solvents employing absorption difference and comparative absorption spectrophotometry. The magnitudes of the variations in both energy and intensity interaction parameters were used to explore the degree of outer and inner sphere co-ordination, incidence of covalency and the extent of metal 4f-orbital involvement in chemical bonding. Various electronic spectral parameters like Slater-Condon (Fk), Racah (Ek), Lande parameter (ξ4f), Nephelauxatic ratio (β), bonding (b1/2), percentage covalency (δ) and intensity parameters like oscillator strength (P) and Judd Ofelt electronic dipole intensity parameter (Tλ, λ = 2, 4, 6) have been evaluated. The variation of these evaluated parameters were employed to interpret the nature of binding of Pr(III) with different ligands i.e. Adenosine/ATP in presence and absence of Ca2+.

  12. Consequences of dark matter-dark energy interaction on cosmological parameters derived from type Ia supernova data

    International Nuclear Information System (INIS)

    Amendola, Luca; Campos, Gabriela Camargo; Rosenfeld, Rogerio

    2007-01-01

    Models where the dark matter component of the Universe interacts with the dark energy field have been proposed as a solution to the cosmic coincidence problem, since in the attractor regime both dark energy and dark matter scale in the same way. In these models the mass of the cold dark matter particles is a function of the dark energy field responsible for the present acceleration of the Universe, and different scenarios can be parametrized by how the mass of the cold dark matter particles evolves with time. In this article we study the impact of a constant coupling δ between dark energy and dark matter on the determination of a redshift dependent dark energy equation of state w DE (z) and on the dark matter density today from SNIa data. We derive an analytical expression for the luminosity distance in this case. In particular, we show that the presence of such a coupling increases the tension between the cosmic microwave background data from the analysis of the shift parameter in models with constant w DE and SNIa data for realistic values of the present dark matter density fraction. Thus, an independent measurement of the present dark matter density can place constraints on models with interacting dark energy

  13. Interaction between cadmium and iron. Accumulation and distribution of metals and changes in growth parameters of Phaseolus vulgaris L. seedlings

    Directory of Open Access Journals (Sweden)

    Anna Siedlecka

    2014-01-01

    Full Text Available The interaction between cadmium, one of the most toxic heavy metals, and iron, an essential plant nutritional element, was investigated in Phaseolus vulgaris L. (cv. Słowianka seedlings. The interaction was externally induced by changing the content of both metals in the nutrient medium. Under iron deficiency conditions (0 and 0.5 of normal dose of this element, the toxic effects of cadmium on plant growth parameters, like fresh and dry weight accumulation, primary leaves area, etc., were generally much more pronounced than under normal iron supply. At normal and excess iron supply (1, 2 and 4 doses cadmium diminished iron accumulation in roots and primary leaves, but on the other hand excess iron decreased cadmium level, preventing plants from extreme toxicity of very high cadmium concentrations in the growth environment. It is to be noted that iron is classified also as a heavy metal, and its excess may become toxic, e.g. decreasing root dry weight or diminishing leaf area, especially at the highest dose. The detoxication role of iron against cadmium, and possibly other toxic metals is, however, limited to concentrations of this element in the nutrient solution which themselves are not toxic for the organism.

  14. Trace metals, melanin-based pigmentation and their interaction influence immune parameters in feral pigeons (Columba livia).

    Science.gov (United States)

    Chatelain, M; Gasparini, J; Frantz, A

    2016-04-01

    Understanding the effects of trace metals emitted by anthropogenic activities on wildlife is of great concern in urban ecology; yet, information on how they affect individuals, populations, communities and ecosystems remains scarce. In particular, trace metals may impact survival by altering the immune system response to parasites. Plumage melanin is assumed to influence the effects of trace metals on immunity owing to its ability to bind metal ions in feathers and its synthesis being coded by a pleiotropic gene. We thus hypothesized that trace metal exposure would interact with plumage colouration in shaping immune response. We experimentally investigated the interactive effect between exposure to an environmentally relevant range of zinc and/or lead and melanin-based plumage colouration on components of the immune system in feral pigeons (Columba livia). We found that zinc increased anti-keyhole limpet hemocyanin (KLH) IgY primary response maintenance, buffered the negative effect of lead on anti-KLH IgY secondary response maintenance and tended to increase T-cell mediated phytohaemagglutinin (PHA) skin response. Lead decreased the peak of the anti-KLH IgY secondary response. In addition, pheomelanic pigeons exhibited a higher secondary anti-KLH IgY response than did eumelanic ones. Finally, T-cell mediated PHA skin response decreased with increasing plumage eumelanin level of birds exposed to lead. Neither treatments nor plumage colouration correlated with endoparasite intensity. Overall, our study points out the effects of trace metals on some parameters of birds' immunity, independently from other confounding urbanization factors, and underlines the need to investigate their impacts on other life history traits and their consequences in the ecology and evolution of host-parasite interactions.

  15. 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

  16. 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

  17. Temporal variation and interaction of full size spectrum Alcian blue stainable materials and water quality parameters in a reservoir.

    Science.gov (United States)

    Thuy, Nguyen Thi; Lin, Justin Chun-Te; Juang, Yaju; Huang, Chihpin

    2015-07-01

    This paper reports on the fate of different fractions of Alcian blue (AB) stainable material in Pao-Shan reservoir, Taiwan, in a one-year study (2013-2014) and an intensive study during phytoplankton bloom (2014). The interactions between the fractions, including AB stained particles, particle and colloidal transparent exopolymer particles (pTEP and cTEP), dissolved acid polysaccharide (dAPS), and their relationship to other water quality parameters were analyzed. The Flow Cytometer and Microscope (FlowCAM) was for first time used to characterize AB stained particles. The results of the one-year study likely showed relationships of pTEP concentration to phytoplankton count and chlorophyll a, while in the intensive study, AB stained particles abundance and pTEP concentration were correlated neither phytoplankton count nor chlorophyll a, but strongly positively correlated with some phytoplankton species' abundance. The difference indicates that sampling frequency and phytoplankton composition should be addressed for studying the links between AB stained fractions and phytoplankton. The interaction between different AB stained fractions further suggests that the majority of AB stained particles and pTEP would be directly generated by some phytoplankton species, whereas their abiotic generation by cTEP or dAPS may only have contributed partly to their formation. This differs from previous studies which generally posited that pTEP are mainly formed abiotically from dissolved precursors. Successful application of FlowCAM for visualization of AB stained particles recommends this technique by which particle morphologies can be conserved and morphological features of particle can be simultaneously elucidated. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Calibration and LOD/LOQ estimation of a chemiluminescent hybridization assay for residual DNA in recombinant protein drugs expressed in E. coli using a four-parameter logistic model.

    Science.gov (United States)

    Lee, K R; Dipaolo, B; Ji, X

    2000-06-01

    Calibration is the process of fitting a model based on reference data points (x, y), then using the model to estimate an unknown x based on a new measured response, y. In DNA assay, x is the concentration, and y is the measured signal volume. A four-parameter logistic model was used frequently for calibration of immunoassay when the response is optical density for enzyme-linked immunosorbent assay (ELISA) or adjusted radioactivity count for radioimmunoassay (RIA). Here, it is shown that the same model or a linearized version of the curve are equally useful for the calibration of a chemiluminescent hybridization assay for residual DNA in recombinant protein drugs and calculation of performance measures of the assay.

  19. Solid residues

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  20. The missing piece in the puzzle: Prediction of aggregation via the protein-protein interaction parameter A∗2.

    Science.gov (United States)

    Koepf, Ellen; Schroeder, Rudolf; Brezesinski, Gerald; Friess, Wolfgang

    2018-07-01

    The tendency of protein pharmaceuticals to form aggregates is a major challenge during formulation development, as aggregation affects quality and safety of the product. In particular, the formation of large native-like particles in the context of liquid-air interfacial stress is a well-known but not fully understood problem. Focusing on the two most fundamental criteria of protein formulation affecting protein-protein interaction, the impact of pH and ionic strength on the interaction parameter A ∗ 2 and its link to aggregation upon mechanical stress was investigated. A ∗ 2 of two monoclonal antibodies (mABs) and a polyclonal IgG was determined using dynamic light scattering and was correlated to the number of particles formed upon shaking in vials analyzed by visual inspection, turbidity analysis, light obscuration and micro-flow imaging. A good correlation between aggregation induced by interfacial stress and formulation pH was given. It could be shown that A ∗ 2 was highest for mAB 1 and lowest for IgG, what was in good accordance with the number of particles formed. Shaking of IgG resulted in overall higher numbers of particles compared to the two mABs. A ∗ 2 decreased and particle numbers increased with increasing pH. Different to pH, ionic strength only slightly affected A ∗ 2 . Nevertheless, at high ionic (100 mM) strength the samples exhibited more pronounced particle formation, particularly of large particles >25 µm, which was most pronounced at high pH. Protein solutions were identified to form continuous films with an inhomogeneous protein distribution at the liquid-air interface. These areas of agglomerated, native-like protein material can be transferred into the bulk solution by compression-decompression of the interface. Whether or not those clusters lead to the appearance of large protein aggregates or fall apart depends on the attractive or repulsive forces between protein molecules. Thus, protein aggregation due to interfacial

  1. 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

  2. Investigations on the Phase Diagram and Interaction Parameter of Poly(styrene-b-1,3-cyclohexadiene) Copolymers

    KAUST Repository

    Misichronis, Konstantinos

    2017-03-15

    A series of linear diblock copolymers containing polystyrene (PS) and poly(1,3-cyclohexadiene) (PCHD) with high 1,4-microstructure (>87%) was synthesized by anionic polymerization and high vacuum techniques. Microphase separation in the bulk was examined by transmission electron microscopy (TEM) and small-angle X-ray scattering (SAXS) and compared to computational analysis of the predicted morphological phase diagram for this system. Because of the high conformational asymmetry between PS and PCHD, these materials self-assemble into typical morphologies expected for linear diblock copolymer systems and atypical structures. Rheological measurements were conducted and revealed order–disorder transition temperatures (TODT), for the first time for PS-b-PCHD copolymers, resulting in a working expression for the effective interaction parameter χeff = 32/T – 0.016. Furthermore, we performed computational studies that coincide with the experimental results. These copolymers exhibit well-ordered structures even at high temperatures (∼260 °C) therefore providing a better insight concerning their microphase separation at the nanoscale which is important for their potential use in nanotechnology and/or nanolithography applications.

  3. Investigations on the Phase Diagram and Interaction Parameter of Poly(styrene-b-1,3-cyclohexadiene) Copolymers

    KAUST Repository

    Misichronis, Konstantinos; Chen, Jihua; Imel, Adam; Kumar, Rajeev; Thostenson, James; Hong, Kunlun; Dadmun, Mark; Sumpter, Bobby G.; Kennemur, Justin G.; Hadjichristidis, Nikolaos; Mays, Jimmy W.; Avgeropoulos, Apostolos

    2017-01-01

    A series of linear diblock copolymers containing polystyrene (PS) and poly(1,3-cyclohexadiene) (PCHD) with high 1,4-microstructure (>87%) was synthesized by anionic polymerization and high vacuum techniques. Microphase separation in the bulk was examined by transmission electron microscopy (TEM) and small-angle X-ray scattering (SAXS) and compared to computational analysis of the predicted morphological phase diagram for this system. Because of the high conformational asymmetry between PS and PCHD, these materials self-assemble into typical morphologies expected for linear diblock copolymer systems and atypical structures. Rheological measurements were conducted and revealed order–disorder transition temperatures (TODT), for the first time for PS-b-PCHD copolymers, resulting in a working expression for the effective interaction parameter χeff = 32/T – 0.016. Furthermore, we performed computational studies that coincide with the experimental results. These copolymers exhibit well-ordered structures even at high temperatures (∼260 °C) therefore providing a better insight concerning their microphase separation at the nanoscale which is important for their potential use in nanotechnology and/or nanolithography applications.

  4. Measurement of the $\\beta$-asymmetry parameter of $^{67}$Cu in search for tensor type currents in the weak interaction

    CERN Document Server

    Soti, G.; Breitenfeldt, M.; Finlay, P.; Herzog, P.; Knecht, A.; Köster, U.; Kraev, I.S.; Porobic, T.; Prashanth, P.N.; Towner, I.S.; Tramm, C.; Zákoucký, D.; Severijns, N.

    2014-01-01

    Precision measurements at low energy search for physics beyond the Standard Model in a way complementary to searches for new particles at colliders. In the weak sector the most general $\\beta$ decay Hamiltonian contains, besides vector and axial-vector terms, also scalar, tensor and pseudoscalar terms. Current limits on the scalar and tensor coupling constants from neutron and nuclear $\\beta$ decay are on the level of several percent. The goal of this paper is extracting new information on tensor coupling constants by measuring the $\\beta$-asymmetry parameter in the pure Gamow-Teller decay of $^{67}$Cu, thereby testing the V-A structure of the weak interaction. An iron sample foil into which the radioactive nuclei were implanted was cooled down to milliKelvin temperatures in a $^3$He-$^4$He dilution refrigerator. An external magnetic field of 0.1 T, in combination with the internal hyperfine magnetic field, oriented the nuclei. The anisotropic $\\beta$ radiation was observed with planar high purity germanium d...

  5. The interaction of fatigue cracks with a residual stress field using thermoelastic stress analysis and synchrotron X-ray diffraction experiments

    Science.gov (United States)

    Amjad, Khurram; Asquith, David; Sebastian, Christopher M.; Wang, Wei-Chung

    2017-01-01

    This article presents an experimental study on the fatigue behaviour of cracks emanating from cold-expanded holes utilizing thermoelastic stress analysis (TSA) and synchrotron X-ray diffraction (SXRD) techniques with the aim of resolving the long-standing ambiguity in the literature regarding potential relaxation, or modification, of beneficial compressive residual stresses as a result of fatigue crack propagation. The crack growth rates are found to be substantially lower as the crack tip moved through the residual stress zone induced by cold expansion. The TSA results demonstrated that the crack tip plastic zones were reduced in size by the presence of the residual compressive stresses induced by cold expansion. The crack tip plastic zones were found to be insignificant in size in comparison to the residual stress zone resulting from cold expansion, which implied that they were unlikely to have had a notable impact on the surrounding residual stresses induced by cold expansion. The residual stress distributions measured along the direction of crack growth, using SXRD, showed no signs of any significant stress relaxation or redistribution, which validates the conclusions drawn from the TSA data. Fractographic analysis qualitatively confirmed the influence on crack initiation of the residual stresses induced by the cold expansion. It was found that the application of single compressive overload caused a relaxation, or reduction in the residual stresses, which has wider implications for improving the fatigue life. PMID:29291095

  6. Substitution of cysteine for a conserved alanine residue in the catalytic center of type II iodothyronine deiodinase alters interaction with reducing cofactor

    NARCIS (Netherlands)

    W. Klootwijk (Willem); T.J. Visser (Theo); G.G.J.M. Kuiper (George)

    2002-01-01

    textabstractHuman type II iodothyronine deiodinase (D2) catalyzes the activation of T(4) to T(3). The D2 enzyme, like the type I (D1) and type III (D3) deiodinases, contains a selenocysteine (SeC) residue (residue 133 in D2) in the highly conserved catalytic center. Remarkably, all

  7. Immobilization of acid digestion residue

    International Nuclear Information System (INIS)

    Greenhalgh, W.O.; Allen, C.R.

    1983-01-01

    Acid digestion treatment of nuclear waste is similar to incineration processes and results in the bulk of the waste being reduced in volume and weight to some residual solids termed residue. The residue is composed of various dispersible solid materials and typically contains the resultant radioactivity from the waste. This report describes the immobilization of the residue in portland cement, borosilicate glass, and some other waste forms. Diagrams showing the cement and glass virtification parameters are included in the report as well as process steps and candidate waste product forms. Cement immobilization is simplest and probably least expensive; glass vitrification exhibits the best overall volume reduction ratio

  8. 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.

  9. 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.

    2013-01-01

    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-Q110K). 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-Q110K substitution did not use these integrins. In contrast, the VP1-Q110K 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. PMID:23740982

  10. Thermogravimetric investigation of the co-combustion between the pyrolysis oil distillation residue and lignite.

    Science.gov (United States)

    Li, Hao; Xia, Shuqian; Ma, Peisheng

    2016-10-01

    Co-combustion of lignite with distillation residue derived from rice straw pyrolysis oil was investigated by non-isothermal thermogravimetric analysis (TGA). The addition of distillation residue improved the reactivity and combustion efficiency of lignite, such as increasing the weight loss rate at peak temperature and decreasing the burnout temperature and the total burnout. With increasing distillation residue content in the blended fuels, the synergistic interactions between distillation residue and lignite firstly increased and then decreased during co-combustion stage. Results of XRF, FTIR, (13)C NMR and SEM analysis indicated that chemical structure, mineral components and morphology of samples have great influence on the synergistic interactions. The combustion mechanisms and kinetic parameters were calculated by the Coats Redfern model, suggesting that the lowest apparent activation energy (120.19kJ/mol) for the blended fuels was obtained by blending 60wt.% distillation residue during main co-combustion stage. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Interactive effects of elevated CO2 concentration and irrigation on photosynthetic parameters and yield of maize in Northeast China.

    Directory of Open Access Journals (Sweden)

    Fanchao Meng

    Full Text Available Maize is one of the major cultivated crops of China, having a central role in ensuring the food security of the country. There has been a significant increase in studies of maize under interactive effects of elevated CO2 concentration ([CO2] and other factors, yet the interactive effects of elevated [CO2] and increasing precipitation on maize has remained unclear. In this study, a manipulative experiment in Jinzhou, Liaoning province, Northeast China was performed so as to obtain reliable results concerning the later effects. The Open Top Chambers (OTCs experiment was designed to control contrasting [CO2] i.e., 390, 450 and 550 µmol·mol(-1, and the experiment with 15% increasing precipitation levels was also set based on the average monthly precipitation of 5-9 month from 1981 to 2010 and controlled by irrigation. Thus, six treatments, i.e. C550W+15%, C550W0, C450W+15%, C450W0, C390W+15% and C390W0 were included in this study. The results showed that the irrigation under elevated [CO2] levels increased the leaf net photosynthetic rate (Pn and intercellular CO2 concentration (Ci of maize. Similarly, the stomatal conductance (Gs and transpiration rate (Tr decreased with elevated [CO2], but irrigation have a positive effect on increased of them at each [CO2] level, resulting in the water use efficiency (WUE higher in natural precipitation treatment than irrigation treatment at elevated [CO2] levels. Irradiance-response parameters, e.g., maximum net photosynthetic rate (Pnmax and light saturation points (LSP were increased under elevated [CO2] and irrigation, and dark respiration (Rd was increased as well. The growth characteristics, e.g., plant height, leaf area and aboveground biomass were enhanced, resulting in an improved of yield and ear characteristics except axle diameter. The study concluded by reporting that, future elevated [CO2] may favor to maize when coupled with increasing amount of precipitation in Northeast China.

  12. Binary interaction parameters for nonpolar systems with cubic equations of state: a theoretical approach 1. CO2/hydrocarbons using SRK equation of state

    DEFF Research Database (Denmark)

    Coutinho, João A.P.; Kontogeorgis, Georgios M.; Stenby, Erling H.

    1994-01-01

    This work shows that, when suitable theoretically based combining rules are used for the cross energy and cross co-volume parameters, cubic equations of state (EoS) with the van der Waals one-fluid mixing rules can adequately represent phase equilibria for the asymmetric CO2/hydrocarbon mixtures...... for the prediction of phase behavior of petroleum fluids. A brief theoretical analysis on the temperature dependency of the Kij interaction parameter is also presented....

  13. The influence of soil organic carbon on interactions between microbial parameters and metal concentrations at a long-term contaminated site

    Energy Technology Data Exchange (ETDEWEB)

    Muhlbachova, G. [Crop Research Institute, Drnovska 507, 161 06 Prague 6, Ruzyne (Czech Republic); Sagova-Mareckova, M., E-mail: sagova@vurv.cz [Crop Research Institute, Drnovska 507, 161 06 Prague 6, Ruzyne (Czech Republic); Omelka, M. [Charles University, Faculty of Mathematics and Physics, Dept. of Probability and Mathematical Statistics, Prague 8, Karlin (Czech Republic); Szakova, J.; Tlustos, P. [Czech University of Life Sciences, Department of Agroenvironmental Chemistry and Plant Nutrition, Prague 6, Suchdol (Czech Republic)

    2015-01-01

    The effects of lead, zinc, cadmium, arsenic and copper deposits on soil microbial parameters were investigated at a site exposed to contamination for over 200 years. Soil samples were collected in triplicates at 121 sites differing in contamination and soil organic carbon (SOC). Microbial biomass, respiration, dehydrogenase activity and metabolic quotient were determined and correlated with total and extractable metal concentrations in soil. The goal was to analyze complex interactions between toxic metals and microbial parameters by assessing the effect of soil organic carbon in the relationships. The effect of SOC was significant in all interactions and changed the correlations between microbial parameters and metal fractions from negative to positive. In some cases, the effect of SOC was combined with that of clay and soil pH. In the final analysis, dehydrogenase activity was negatively correlated to total metal concentrations and acetic acid extractable metals, respiration and metabolic quotient were to ammonium nitrate extractable metals. Dehydrogenase activity was the most sensitive microbial parameter correlating most frequently with contamination. Total and extractable zinc was most often correlated with microbial parameters. The large data set enabled robust explanation of discrepancies in organic matter functioning occurring frequently in analyzing of contaminated soil processes. - Highlights: • Soil organic carbon affected all interactions between metals and microorganisms. • Soil organic carbon adjustment changed correlations from positive to negative. • Ammonium nitrate extractable metals were the most influencing fraction. • Dehydrogenase activity was the most affected soil parameter. • Zinc was the most toxic metal among studied metals.

  14. The influence of soil organic carbon on interactions between microbial parameters and metal concentrations at a long-term contaminated site

    International Nuclear Information System (INIS)

    Muhlbachova, G.; Sagova-Mareckova, M.; Omelka, M.; Szakova, J.; Tlustos, P.

    2015-01-01

    The effects of lead, zinc, cadmium, arsenic and copper deposits on soil microbial parameters were investigated at a site exposed to contamination for over 200 years. Soil samples were collected in triplicates at 121 sites differing in contamination and soil organic carbon (SOC). Microbial biomass, respiration, dehydrogenase activity and metabolic quotient were determined and correlated with total and extractable metal concentrations in soil. The goal was to analyze complex interactions between toxic metals and microbial parameters by assessing the effect of soil organic carbon in the relationships. The effect of SOC was significant in all interactions and changed the correlations between microbial parameters and metal fractions from negative to positive. In some cases, the effect of SOC was combined with that of clay and soil pH. In the final analysis, dehydrogenase activity was negatively correlated to total metal concentrations and acetic acid extractable metals, respiration and metabolic quotient were to ammonium nitrate extractable metals. Dehydrogenase activity was the most sensitive microbial parameter correlating most frequently with contamination. Total and extractable zinc was most often correlated with microbial parameters. The large data set enabled robust explanation of discrepancies in organic matter functioning occurring frequently in analyzing of contaminated soil processes. - Highlights: • Soil organic carbon affected all interactions between metals and microorganisms. • Soil organic carbon adjustment changed correlations from positive to negative. • Ammonium nitrate extractable metals were the most influencing fraction. • Dehydrogenase activity was the most affected soil parameter. • Zinc was the most toxic metal among studied metals

  15. Opinions on Drug Interaction Sources in Anticancer Treatments and Parameters for an Oncology-Specific Database by Pharmacy Practitioners in Asia

    Directory of Open Access Journals (Sweden)

    2010-01-01

    Full Text Available Cancer patients undergoing chemotherapy are particularly susceptible to drug-drug interactions (DDIs. Practitioners should keep themselves updated with the most current DDI information, particularly involving new anticancer drugs (ACDs. Databases can be useful to obtain up-to-date DDI information in a timely and efficient manner. Our objective was to investigate the DDI information sources of pharmacy practitioners in Asia and their views on the usefulness of an oncology-specific database for ACD interactions. A qualitative, cross-sectional survey was done to collect information on the respondents' practice characteristics, sources of DDI information and parameters useful in an ACD interaction database. Response rate was 49%. Electronic databases (70%, drug interaction textbooks (69% and drug compendia (64% were most commonly used. Majority (93% indicated that a database catering towards ACD interactions was useful. Essential parameters that should be included in the database were the mechanism and severity of the detected interaction, and the presence of a management plan (98% each. This study has improved our understanding on the usefulness of various DDI information sources for ACD interactions among pharmacy practitioners in Asia. An oncology-specific DDI database targeting ACD interactions is definitely attractive for clinical practice.

  16. 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

  17. UNIQUAC interaction parameters for molecules with -OH groups on adjacent carbon atoms in aqueous solution determined by molecular mechanics - glycols, glycerol and glucose

    DEFF Research Database (Denmark)

    Jonsdottir, Svava Osk; Klein, R. A.

    1997-01-01

    UNIQUAC interaction parameters have been determined, using molecular mechanics calculations, for 1,2-ethanediol, 1,2-propanediol, glycerol and glucose with water in aqueous solution. Conformational space for individual pairs of molecules was explored using a stochastic method, the Boltzmann Jump...

  18. TRIP-ID: A tool for a smart and interactive identification of Magic Formula tyre model parameters from experimental data acquired on track or test rig

    Science.gov (United States)

    Farroni, Flavio; Lamberti, Raffaele; Mancinelli, Nicolò; Timpone, Francesco

    2018-03-01

    Tyres play a key role in ground vehicles' dynamics because they are responsible for traction, braking and cornering. A proper tyre-road interaction model is essential for a useful and reliable vehicle dynamics model. In the last two decades Pacejka's Magic Formula (MF) has become a standard in simulation field. This paper presents a Tool, called TRIP-ID (Tyre Road Interaction Parameters IDentification), developed to characterize and to identify with a high grade of accuracy and reliability MF micro-parameters from experimental data deriving from telemetry or from test rig. The tool guides interactively the user through the identification process on the basis of strong diagnostic considerations about the experimental data made evident by the tool itself. A motorsport application of the tool is shown as a case study.

  19. Analysis of basic cross-section σ0 and blackness parameter α for antiproton-nucleus interactions

    International Nuclear Information System (INIS)

    Sharma, V.; Kumar, A.; Singh, S.V.; Kumar, Y.; Gupta, L.K.; Gupta, J.P.; Giri, M.

    2005-01-01

    The absorption cross section of antiproton have been studied and the values of basic cross section σ 0 and the blackness parameter α are found. An attempt has been made to study the variation of these parameter with the incident energy

  20. Crystal Structure of the Extended-Spectrum β-Lactamase PER-2 and Insights into the Role of Specific Residues in the Interaction with β-Lactams and β-Lactamase Inhibitors

    Science.gov (United States)

    Ruggiero, Melina; Kerff, Frédéric; Herman, Raphaël; Sapunaric, Frédéric; Galleni, Moreno; Gutkind, Gabriel; Charlier, Paulette; Sauvage, Eric

    2014-01-01

    PER-2 belongs to a small (7 members to date) group of extended-spectrum β-lactamases. It has 88% amino acid identity with PER-1 and both display high catalytic efficiencies toward most β-lactams. In this study, we determined the X-ray structure of PER-2 at 2.20 Å and evaluated the possible role of several residues in the structure and activity toward β-lactams and mechanism-based inhibitors. PER-2 is defined by the presence of a singular trans bond between residues 166 to 167, which generates an inverted Ω loop, an expanded fold of this domain that results in a wide active site cavity that allows for efficient hydrolysis of antibiotics like the oxyimino-cephalosporins, and a series of exclusive interactions between residues not frequently involved in the stabilization of the active site in other class A β-lactamases. PER β-lactamases might be included within a cluster of evolutionarily related enzymes harboring the conserved residues Asp136 and Asn179. Other signature residues that define these enzymes seem to be Gln69, Arg220, Thr237, and probably Arg/Lys240A (“A” indicates an insertion according to Ambler's scheme for residue numbering in PER β-lactamases), with structurally important roles in the stabilization of the active site and proper orientation of catalytic water molecules, among others. We propose, supported by simulated models of PER-2 in combination with different β-lactams, the presence of a hydrogen-bond network connecting Ser70-Gln69-water-Thr237-Arg220 that might be important for the proper activity and inhibition of the enzyme. Therefore, we expect that mutations occurring in these positions will have impacts on the overall hydrolytic behavior. PMID:25070104

  1. The Relationship Between Low-Frequency Motions and Community Structure of Residue Network in Protein Molecules.

    Science.gov (United States)

    Sun, Weitao

    2018-01-01

    The global shape of a protein molecule is believed to be dominant in determining low-frequency deformational motions. However, how structure dynamics relies on residue interactions remains largely unknown. The global residue community structure and the local residue interactions are two important coexisting factors imposing significant effects on low-frequency normal modes. In this work, an algorithm for community structure partition is proposed by integrating Miyazawa-Jernigan empirical potential energy as edge weight. A sensitivity parameter is defined to measure the effect of local residue interaction on low-frequency movement. We show that community structure is a more fundamental feature of residue contact networks. Moreover, we surprisingly find that low-frequency normal mode eigenvectors are sensitive to some local critical residue interaction pairs (CRIPs). A fair amount of CRIPs act as bridges and hold distributed structure components into a unified tertiary structure by bonding nearby communities. Community structure analysis and CRIP detection of 116 catalytic proteins reveal that breaking up of a CRIP can cause low-frequency allosteric movement of a residue at the far side of protein structure. The results imply that community structure and CRIP may be the structural basis for low-frequency motions.

  2. Determination of kinetic and equilibrium parameters of the batch adsorption of Mn(II), Co(II), Ni(II) and Cu(II) from aqueous solution by black carrot (Daucus carota L.) residues

    International Nuclear Information System (INIS)

    Guezel, Fuat; Yakut, Hakan; Topal, Giray

    2008-01-01

    In this study, the effect of temperature on the adsorption of Mn(II), Ni(II), Co(II) and Cu(II) from aqueous solution by modified carrot residues (MCR) was investigated. The equilibrium contact times of adsorption process for each heavy metals-MCR systems were determined. Kinetic data obtained for each heavy metal by MCR at different temperatures were applied to the Lagergren equation, and adsorption rate constants (k ads ) at these temperatures were determined. These rate constants related to the adsorption of heavy metal by MCR were applied to the Arrhenius equation, and activation energies (E a ) were determined. In addition, the isotherms for adsorption of each heavy metal by MCR at different temperatures were also determined. These isothermal data were applied to linear forms of isotherm equations that they fit the Langmuir adsorption isotherm, and the Langmuir constants (q m and b) were calculated. b constants determined at different temperatures were applied to thermodynamic equations, and thermodynamic parameters such as enthalpy (ΔH), free energy (ΔG), and entropy (ΔS) were calculated and these values show that adsorption of heavy metal on MCR was an endothermic process and process of adsorption was favoured at high temperatures

  3. Calculation of the collective mass-parameter including RPA corrections

    International Nuclear Information System (INIS)

    Pal, M.K.; Zawischa, D.; Speth, J.

    1975-01-01

    A derivation of the vibrational mass-parameter B is given which makes the consistency with RPA calculations explicit. The expected enhancement by the residual particle-hole and particle-particle interaction is demonstrated by solving the quasiparticle-RPA for deformed nuclei in the rare earth region. (orig.) [de

  4. Novel essential residues of Hda for interaction with DnaA in the regulatory inactivation of DnaA: unique roles for Hda AAA Box VI and VII motifs.

    Science.gov (United States)

    Nakamura, Kenta; Katayama, Tsutomu

    2010-04-01

    Escherichia coli ATP-DnaA initiates chromosomal replication. For preventing extra-initiations, a complex of ADP-Hda and the DNA-loaded replicase clamp promotes DnaA-ATP hydrolysis, yielding inactive ADP-DnaA. However, the Hda-DnaA interaction mode remains unclear except that the Hda Box VII Arg finger (Arg-153) and DnaA sensor II Arg-334 within each AAA(+) domain are crucial for the DnaA-ATP hydrolysis. Here, we demonstrate that direct and functional interaction of ADP-Hda with DnaA requires the Hda residues Ser-152, Phe-118 and Asn-122 as well as Hda Arg-153 and DnaA Arg-334. Structural analyses suggest intermolecular interactions between Hda Ser-152 and DnaA Arg-334 and between Hda Phe-118 and the DnaA Walker B motif region, in addition to an intramolecular interaction between Hda Asn-122 and Arg-153. These interactions likely sustain a specific association of ADP-Hda and DnaA, promoting DnaA-ATP hydrolysis. Consistently, ATP-DnaA and ADP-DnaA interact with the ADP-Hda-DNA-clamp complex with similar affinities. Hda Phe-118 and Asn-122 are contained in the Box VI region, and their hydrophobic and electrostatic features are basically conserved in the corresponding residues of other AAA(+) proteins, suggesting a conserved role for Box VI. These findings indicate novel interaction mechanisms for Hda-DnaA as well as a potentially fundamental mechanism in AAA(+) protein interactions.

  5. New insights into the mechanism of interaction between CO2 and polymers from thermodynamic parameters obtained by in situ ATR-FTIR spectroscopy.

    Science.gov (United States)

    Gabrienko, Anton A; Ewing, Andrew V; Chibiryaev, Andrey M; Agafontsev, Alexander M; Dubkov, Konstantin A; Kazarian, Sergei G

    2016-03-07

    This work reports new physical insights of the thermodynamic parameters and mechanisms of possible interactions occurring in polymers subjected to high-pressure CO2. ATR-FTIR spectroscopy has been used in situ to determine the thermodynamic parameters of the intermolecular interactions between CO2 and different functional groups of the polymers capable of specific interactions with sorbed CO2 molecules. Based on the measured ATR-FTIR spectra of the polymer samples subjected to high-pressure CO2 (30 bar) at different temperatures (300-340 K), it was possible to characterize polymer-polymer and CO2-polymer interactions. Particularly, the enthalpy and entropy of the formation of the specific non-covalent complexes between CO2 and the hydroxy (-OH), carbonyl (C[double bond, length as m-dash]O) and hydroxyimino ([double bond, length as m-dash]N-OH) functional groups of the polymer samples have been measured. Furthermore, the obtained spectroscopic results have provided an opportunity for the structure of these complexes to be proposed. An interesting phenomenon regarding the behavior of CO2/polymer systems has also been observed. It has been found that only for the polyketone, the value of enthalpy was negative indicating an exothermic process during the formation of the CO2-polymer non-covalent complexes. Conversely, for the polyoxime and polyalcohol samples there is a positive enthalpy determined. This is a result of the initial polymer-polymer interactions requiring more energy to break than is released during the formation of the CO2-polymer complex. The effect of increasing temperature to facilitate the breaking of the polymer-polymer interactions has also been observed. Hence, a mechanism for the formation of CO2-polymer complexes was suggested based on these results, which occurs via a two-step process: (1) the breaking of the existing polymer-polymer interactions followed by (2) the formation of new CO2-polymer non-covalent interactions.

  6. Low energy parameters of the K K-bar and ππ scalar-isoscalar interactions

    International Nuclear Information System (INIS)

    Kaminski, R.; Lesniak, L.

    1994-06-01

    Threshold expansions of the ππ and K K-bar spin 0 and isospin 0 scattering amplitudes are performed. Scattering lengths, effective ranges and so-called volume parameters are evaluated. Good agreement with the existing experimental data for the ππ scalar-isoscalar amplitude is found. An importance of future accurate measurements of the K K-bar threshold parameters is stressed. New data are needed to understand the basic features of the scalar mesons. (author). 31 refs, 3 tabs

  7. Residual analysis for spatial point processes

    DEFF Research Database (Denmark)

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

    We define residuals for point process models fitted to spatial point pattern data, and propose diagnostic plots based on these residuals. The techniques apply to any Gibbs point process model, which may exhibit spatial heterogeneity, interpoint interaction and dependence on spatial covariates. Ou...... or covariate effects. Q-Q plots of the residuals are effective in diagnosing interpoint interaction. Some existing ad hoc statistics of point patterns (quadrat counts, scan statistic, kernel smoothed intensity, Berman's diagnostic) are recovered as special cases....

  8. 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.

  9. 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...... the graphite particles and the matrix during manufacturing of the industrial part considered in the XRD study. The model indicates that, besides the vis- coplastic 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...

  10. Identification of hormone-interacting amino acid residues within the steroid-binding domain of the glucocorticoid receptor in relation to other steroid hormone receptors

    International Nuclear Information System (INIS)

    Carlstedt-Duke, J.; Stroemstedt, P.E.; Persson, B.; Cederlund, E.; Gustafsson, J.A.; Joernvall, H.

    1988-01-01

    Purified rat liver glucocorticoid receptor was covalently charged with [ 3 H]glucocorticoid by photoaffinity labeling (UV irradiation of [ 3 H]triamcinolone acetonide-glucocorticoid receptor) or affinity labeling (incubation with [ 3 H]dexamethasone mesylate). After labeling, separate samples of the denatured receptor were cleaved with trypsin (directly or after prior succinylation), chymotrypsin, and cyanogen bromide. Labeled residues in the peptides obtained were identified by radiosequence analysis. The peaks of radioactivity corresponded to Met-622 and Cys-754 after photoaffinity labeling with [ 3 H]triamcinolone acetonide and Cys-656 after affinity labeling with [ 3 H]dexamethasone mesylate. The labeled residues are all positioned within hydrophobic segments of the steroid-binding domain. The patterns of hydropathy and secondary structure for the glucocorticoid receptor are highly similar to those for the progestin receptor and similar but less so to those for the estrogen receptor and to those for c-erb A

  11. Fine and coarse root parameters from mature black spruce displaying genetic x soil moisture interaction in growth

    Science.gov (United States)

    John E. Major; Kurt H. Johnsen; Debby C. Barsi; Moira Campbell

    2012-01-01

    Fine and coarse root biomass, C, and N mass parameters were assessed by root size and soil depths from soil cores in plots of 32-year-old black spruce (Picea mariana (Mill.) Britton, Sterns & Poggenb.) from four full-sib families studied previously for drought tolerance and differential productivity on a dry and wet...

  12. A climatic atlas of the air-sea interaction parameters and fluxes of the oceans using satellite data

    Digital Repository Service at National Institute of Oceanography (India)

    RameshKumar, M.R.; Schulz, J.; Jost, V.

    . It is intended to provide a climatological data base for scientists in the field of climatology and air-sea interaction. It is hoped that this atlas will serve as a reference to the students as well as the scientists working in the fields of Climatology...

  13. Computational prediction of protein hot spot residues.

    Science.gov (United States)

    Morrow, John Kenneth; Zhang, Shuxing

    2012-01-01

    Most biological processes involve multiple proteins interacting with each other. It has been recently discovered that certain residues in these protein-protein interactions, which are called hot spots, contribute more significantly to binding affinity than others. Hot spot residues have unique and diverse energetic properties that make them challenging yet important targets in the modulation of protein-protein complexes. Design of therapeutic agents that interact with hot spot residues has proven to be a valid methodology in disrupting unwanted protein-protein interactions. Using biological methods to determine which residues are hot spots can be costly and time consuming. Recent advances in computational approaches to predict hot spots have incorporated a myriad of features, and have shown increasing predictive successes. Here we review the state of knowledge around protein-protein interactions, hot spots, and give an overview of multiple in silico prediction techniques of hot spot residues.

  14. Computational Prediction of Hot Spot Residues

    Science.gov (United States)

    Morrow, John Kenneth; Zhang, Shuxing

    2013-01-01

    Most biological processes involve multiple proteins interacting with each other. It has been recently discovered that certain residues in these protein-protein interactions, which are called hot spots, contribute more significantly to binding affinity than others. Hot spot residues have unique and diverse energetic properties that make them challenging yet important targets in the modulation of protein-protein complexes. Design of therapeutic agents that interact with hot spot residues has proven to be a valid methodology in disrupting unwanted protein-protein interactions. Using biological methods to determine which residues are hot spots can be costly and time consuming. Recent advances in computational approaches to predict hot spots have incorporated a myriad of features, and have shown increasing predictive successes. Here we review the state of knowledge around protein-protein interactions, hot spots, and give an overview of multiple in silico prediction techniques of hot spot residues. PMID:22316154

  15. Comparative modeling and docking studies of p16ink4/Cyclin D1/Rb pathway genes in lung cancer revealed functionally interactive residue of RB1 and its functional partner E2F1

    Directory of Open Access Journals (Sweden)

    e Zahra Syeda Naqsh

    2013-01-01

    Full Text Available Abstract Background Lung cancer is the major cause of mortality worldwide. Major signalling pathways that could play significant role in lung cancer therapy include (1 Growth promoting pathways (Epidermal Growth Factor Receptor/Ras/ PhosphatidylInositol 3-Kinase (2 Growth inhibitory pathways (p53/Rb/P14ARF, STK11 (3 Apoptotic pathways (Bcl-2/Bax/Fas/FasL. Insilico strategy was implemented to solve the mystery behind selected lung cancer pathway by applying comparative modeling and molecular docking studies. Results YASARA [v 12.4.1] was utilized to predict structural models of P16-INK4 and RB1 genes using template 4ELJ-A and 1MX6-B respectively. WHAT CHECK evaluation tool demonstrated overall quality of predicted P16-INK4 and RB1 with Z-score of −0.132 and −0.007 respectively which showed a strong indication of reliable structure prediction. Protein-protein interactions were explored by utilizing STRING server, illustrated that CDK4 and E2F1 showed strong interaction with P16-INK4 and RB1 based on confidence score of 0.999 and 0.999 respectively. In order to facilitate a comprehensive understanding of the complex interactions between candidate genes with their functional interactors, GRAMM-X server was used. Protein-protein docking investigation of P16-INK4 revealed four ionic bonds illustrating Arg47, Arg80,Cys72 and Met1 residues as actively participating in interactions with CDK4 while docking results of RB1 showed four hydrogen bonds involving Glu864, Ser567, Asp36 and Arg861 residues which interact strongly with its respective functional interactor E2F1. Conclusion This research may provide a basis for understanding biological insights of P16-INK4 and RB1 proteins which will be helpful in future to design a suitable drug to inhibit the disease pathogenesis as we have determined the interacting amino acids which can be targeted in order to design a ligand in-vitro to propose a drug for clinical trials. Protein -protein docking of

  16. Study of the interactions between a proline-rich protein and a flavan-3-ol by NMR: residual structures in the natively unfolded protein provides anchorage points for the ligands.

    Science.gov (United States)

    Pascal, Christine; Paté, Franck; Cheynier, Véronique; Delsuc, Marc-André

    2009-09-01

    Astringency is one of the major organoleptic properties of food and beverages that are made from plants, such as tea, chocolate, beer, or red wine. This sensation is thought to be due to interactions between tannins and salivary proline-rich proteins, which are natively unfolded proteins. A human salivary proline-rich protein, namely IB-5, was produced by the recombinant method. Its interactions with a model tannin, epigallocatechin gallate (EGCG), the major flavan-3-ol in green tea, were studied here. Circular dichroism experiments showed that IB-5 presents residual structures (PPII helices) when the ionic strength is close to that in saliva. In the presence of these residual structures, IB-5 undergoes an increase in structural content upon binding to EGCG. NMR data corroborated the presence of preformed structural elements within the protein prior to binding and a partial assignment was proposed, showing partial structuration. TOCSY experiments showed that amino acids that are involved in PPII helices are more likely to interact with EGCG than those in random coil regions, as if they were anchorage points for the ligand. The signal from IB-5 in the DOSY NMR spectrum revealed an increase in polydispersity upon addition of EGCG while the mean hydrodynamic radius remained unchanged. This strongly suggests the formation of IB-5/EGCG aggregates.

  17. Pressure dependence of effective Coulomb interaction parameters in BaFe2As2 by first-principle calculation

    Science.gov (United States)

    Aghajani, M.; Hadipour, H.; Akhavan, M.

    2018-05-01

    Pressure dependence of the onsite Coulomb interactions of the BaFe2As2 has been studied by employing the constrained random phase approximation within first-principle calculations. Analyzing total and projected density of states, a pseudogap is found for dxy band at the energy roughly 0.25 eV higher than the Fermi level. Also, by applying pressure the spectral weight of the dxy orbital vanishes while other orbitals remain metallic. The different screening channels, as discussed in four different models, affect significantly on the Hubbard U while the Hund J remains almost unchanged. The average onsite bare and partially and fully screened Coulomb interactions increase with different rates upon compression. These different rates can be explained by competition between the electronic screening and reduction of bond lengths.

  18. Usage of an interactive image analysis system for studying various parameters of etched tracks in CR-39 and Makrofol E

    International Nuclear Information System (INIS)

    Abu-Jarad, F.; Islam, M.A.; Que, A.

    1991-01-01

    An Automated Interactive Built Analysis System (IBAS) is being used to analyze the alpha and fission fragment tracks in CR-39 and Makrofol E detectors. It primarily consists of a control computer (IBAS1) and an image processor (IBAS2). The system is used for counting the nuclear tracks, measuring their areas, diameters, statistics and displaying the frequency distribution of their sizes. All information can be printed out or stored on floppy disks. (author)

  19. Measurement of the yields of residual nuclei in interactions 17.9 GeV/c α-particles with sup(159)Tb, sup(181)Ta and sup(207,2)Pb nuclei

    International Nuclear Information System (INIS)

    Butsev, V.S.; Butseva, G.L.; Kostin, V.Ya.; Migalenya, V.Ya.

    1984-01-01

    The results of investigations of 17.9 GeV/c α-particle interactions with Tb, Ta and Ph nuclei are presented. Measurements have been carried out of the relative yields of residual nuclei for the (α+Tb), (α+Ta) and (α+Pb) reactions in the 24 93 Tc, 133 Ce and 198 Tl the isomeric ratios are determined, that are compared with the isomeric ratios measured in reactions induced by 500 MeV protons and by 25.2 GeV 12 C ions

  20. 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.

  1. Spectroscopic study of the interaction of Nd{sup +3} with amino acids: phenomenological 4f-4f intensity parameters

    Energy Technology Data Exchange (ETDEWEB)

    Jerico, Soraya; Carubelli, Celia R.; Massabni, Ana M.G.; Stucchi, Elizabeth B.; Leite, Sergio R. de A. [UNESP, Araraquara, SP (Brazil). Inst. de Quimica; Malta, Oscar [Pernambuco Univ., Recife, PE (Brazil). Dept. de Quimica Fundamental

    1998-10-01

    We have studied behaviour of the phenomenological 4f-4f intensity parameters in compounds of the Nd{sup 3+} ion with glycine, L-aspartic acid, L-glutamic acid, L-histidine, DL-malic acid and Aspartame{sup TM} in aqueous solution, as function of the pK values and partial charges on the oxygens of the carboxylate groups of these molecules. The results are discussed and qualitatively interpreted in terms of the forced electric dipole and dynamic coupling mechanisms of the 4f-4f intensities, thus indicating that the forced electric dipole mechanism is dominant. (author)

  2. Spectroscopic study of the interaction of Nd+3 with amino acids: phenomenological 4f-4f intensity parameters

    International Nuclear Information System (INIS)

    Jerico, Soraya; Carubelli, Celia R.; Massabni, Ana M.G.; Stucchi, Elizabeth B.; Leite, Sergio R. de A.; Malta, Oscar

    1998-01-01

    We have studied behaviour of the phenomenological 4f-4f intensity parameters in compounds of the Nd 3+ ion with glycine, L-aspartic acid, L-glutamic acid, L-histidine, DL-malic acid and Aspartame TM in aqueous solution, as function of the pK values and partial charges on the oxygens of the carboxylate groups of these molecules. The results are discussed and qualitatively interpreted in terms of the forced electric dipole and dynamic coupling mechanisms of the 4f-4f intensities, thus indicating that the forced electric dipole mechanism is dominant. (author)

  3. Usefulness and limitations of dK random graph models to predict interactions and functional homogeneity in biological networks under a pseudo-likelihood parameter estimation approach

    Directory of Open Access Journals (Sweden)

    Luan Yihui

    2009-09-01

    Full Text Available Abstract Background Many aspects of biological functions can be modeled by biological networks, such as protein interaction networks, metabolic networks, and gene coexpression networks. Studying the statistical properties of these networks in turn allows us to infer biological function. Complex statistical network models can potentially more accurately describe the networks, but it is not clear whether such complex models are better suited to find biologically meaningful subnetworks. Results Recent studies have shown that the degree distribution of the nodes is not an adequate statistic in many molecular networks. We sought to extend this statistic with 2nd and 3rd order degree correlations and developed a pseudo-likelihood approach to estimate the parameters. The approach was used to analyze the MIPS and BIOGRID yeast protein interaction networks, and two yeast coexpression networks. We showed that 2nd order degree correlation information gave better predictions of gene interactions in both protein interaction and gene coexpression networks. However, in the biologically important task of predicting functionally homogeneous modules, degree correlation information performs marginally better in the case of the MIPS and BIOGRID protein interaction networks, but worse in the case of gene coexpression networks. Conclusion Our use of dK models showed that incorporation of degree correlations could increase predictive power in some contexts, albeit sometimes marginally, but, in all contexts, the use of third-order degree correlations decreased accuracy. However, it is possible that other parameter estimation methods, such as maximum likelihood, will show the usefulness of incorporating 2nd and 3rd degree correlations in predicting functionally homogeneous modules.

  4. Usefulness and limitations of dK random graph models to predict interactions and functional homogeneity in biological networks under a pseudo-likelihood parameter estimation approach.

    Science.gov (United States)

    Wang, Wenhui; Nunez-Iglesias, Juan; Luan, Yihui; Sun, Fengzhu

    2009-09-03

    Many aspects of biological functions can be modeled by biological networks, such as protein interaction networks, metabolic networks, and gene coexpression networks. Studying the statistical properties of these networks in turn allows us to infer biological function. Complex statistical network models can potentially more accurately describe the networks, but it is not clear whether such complex models are better suited to find biologically meaningful subnetworks. Recent studies have shown that the degree distribution of the nodes is not an adequate statistic in many molecular networks. We sought to extend this statistic with 2nd and 3rd order degree correlations and developed a pseudo-likelihood approach to estimate the parameters. The approach was used to analyze the MIPS and BIOGRID yeast protein interaction networks, and two yeast coexpression networks. We showed that 2nd order degree correlation information gave better predictions of gene interactions in both protein interaction and gene coexpression networks. However, in the biologically important task of predicting functionally homogeneous modules, degree correlation information performs marginally better in the case of the MIPS and BIOGRID protein interaction networks, but worse in the case of gene coexpression networks. Our use of dK models showed that incorporation of degree correlations could increase predictive power in some contexts, albeit sometimes marginally, but, in all contexts, the use of third-order degree correlations decreased accuracy. However, it is possible that other parameter estimation methods, such as maximum likelihood, will show the usefulness of incorporating 2nd and 3rd degree correlations in predicting functionally homogeneous modules.

  5. Cubic Dresselhaus interaction parameter from quantum corrections to the conductivity in the presence of an in-plane magnetic field

    Science.gov (United States)

    Marinescu, D. C.

    2017-09-01

    We evaluate the quantum corrections to the conductivity of a two-dimensional electron system with competing Rashba (R) and linear and cubic Dresselhaus (D) spin-orbit interactions in the presence of an in-plane magnetic field B . Within a perturbative approximation, we investigate the interplay between the spin-orbit coupling and the magnetic field in determining the transport regime in two different limiting scenarios: when only one of the linear terms, either Rashba or Dresselhaus, dominates, and at equal linear couplings, when the cubic Dresselhaus breaks the spin symmetry. In each instance, we find that for B higher than a critical value, the antilocalization correction is suppressed and the effective dephasing time saturates to a constant value determined only by the spin-orbit interaction. At equal R-D linear couplings, this value is directly proportional with the cubic Dresselhaus contribution. In the same regime, the magnetoconductivity is expressed as a simple logarithmic function dependent only on the cubic Dresselhaus constant.

  6. Interesting correlations among various parameters of charged secondaries in nucleus - nucleus interactions at 4.5 A GeV

    International Nuclear Information System (INIS)

    Khan, M. Saleem; Shukla, Praveen Prakash; Khushnood, H.

    2015-01-01

    The study of the characteristic of charged secondaries was the aim of most of the experiments on high energy nucleon-nucleon and nucleus-nucleus collisions. Investigation are carried out on the produced secondary charged particles with a common belief that these particles are more informative about the collisional dynamics and thus, could be effective in revealing the underlying physics of high energy relativistic interactions. So for understanding the mechanism of multiparticle production in high energy hadron-nucleus collisions, the correlations amongst the secondary charged particles are studied. Several workers have attempted to study the multiplicity correlations over widely different incident energies with different projectiles. The AALMT collaboration have also studied the multiplicity correlations in 200 GeV proton-nucleus collisions

  7. The Natural Aging Effect on Hardenability in Al-Mg-Si: A Complex Interaction between Composition and Heat Treatment Parameters

    Directory of Open Access Journals (Sweden)

    Alex Poznak

    2018-05-01

    Full Text Available The technological relevance of Al-Mg-Si alloys has been rapidly growing over the last decade. Of particular interest to current and future applications is the problematic negative effect of prior natural aging on subsequent artificial age hardening. The influence of natural aging is dependent on both processing and compositional variables and has origins that are far from well-understood. This work examines the hardenability of 6000 series alloys under a wide range of conditions, paying particular attention to the natural aging effect. Experimental variables include alloy composition (Mg + Si, Mg/Si, cooling rate after solutionization, and duration of prior natural aging. Hardenability was evaluated with full hardness and conductivity aging curves for each condition, as well as select Transmission Electron Microscopy (TEM. Results are discussed based on the actions of naturally aged solute clusters during artificial aging. In particular, a complex interaction between vacancy concentration, cluster stability, and precipitation driving force is suggested.

  8. 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

  9. 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

  10. A cluster of aspartic residues in the extracellular loop II of PAR 4 is important for thrombin interaction and activation of platelets.

    Science.gov (United States)

    Sánchez Centellas, Daniel; Gudlur, Sushanth; Vicente-Carrillo, Alejandro; Ramström, Sofia; Lindahl, Tomas L

    2017-06-01

    Thrombin activates platelets via proteolytic cleavage of protease-activated receptors (PARs) 1 and 4. The two PARs have distinct but complementary roles. The mechanisms responsible for PAR1 activation by thrombin have been extensively studied. However, much less is known regarding thrombin activation of PAR4, especially the potential involvement of regions of PAR4 other than the N-terminal, which is bound to the catalytic site of thrombin. We have studied PAR4 in S. cerevisiae strain MMY12, an expression system in which the GPCR receptors are connected to a Lac Z reporter gene resulting in increased β-galactosidase activity. This approach was used to assess PAR4 mutants to evaluate the contribution of different aspartic residues in facilitating PAR4 activation. Furthermore, peptides mimicking parts of the PAR4 N-terminal and the second extracellular loop (ECLII) were tested for their ability to inhibit platelet activation by thrombin. Binding of these peptides to γ-thrombin was studied by monitoring the decrease in tryptophan fluorescence intensity of thrombin. We conclude that not only the N-terminal but also the electronegative aspartic residues D224, D230 and D235 (located in ECLII) are be important for PAR4 binding to thrombin. We further suggest that they play a role for the tethered ligand binding to the receptor, as mutations also affected activation in response to a PAR4-activating peptide mimicking the new N-terminal formed after cleavage. This agrees with previous results on PAR1 and thrombin binding. We suggest that the ECLII of PAR4 could be a potential target for antithrombotic drug development. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. 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

    2018-05-31

    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 Ovenden et al.

  12. A non-homogeneous dynamic Bayesian network with sequentially coupled interaction parameters for applications in systems and synthetic biology.

    Science.gov (United States)

    Grzegorczyk, Marco; Husmeier, Dirk

    2012-07-12

    An important and challenging problem in systems biology is the inference of gene regulatory networks from short non-stationary time series of transcriptional profiles. A popular approach that has been widely applied to this end is based on dynamic Bayesian networks (DBNs), although traditional homogeneous DBNs fail to model the non-stationarity and time-varying nature of the gene regulatory processes. Various authors have therefore recently proposed combining DBNs with multiple changepoint processes to obtain time varying dynamic Bayesian networks (TV-DBNs). However, TV-DBNs are not without problems. Gene expression time series are typically short, which leaves the model over-flexible, leading to over-fitting or inflated inference uncertainty. In the present paper, we introduce a Bayesian regularization scheme that addresses this difficulty. Our approach is based on the rationale that changes in gene regulatory processes appear gradually during an organism's life cycle or in response to a changing environment, and we have integrated this notion in the prior distribution of the TV-DBN parameters. We have extensively tested our regularized TV-DBN model on synthetic data, in which we have simulated short non-homogeneous time series produced from a system subject to gradual change. We have then applied our method to real-world gene expression time series, measured during the life cycle of Drosophila melanogaster, under artificially generated constant light condition in Arabidopsis thaliana, and from a synthetically designed strain of Saccharomyces cerevisiae exposed to a changing environment.

  13. Quantitative inheritance of crop timing traits in interspecific hybrid Petunia populations and interactions with crop quality parameters.

    Science.gov (United States)

    Warner, Ryan M; Walworth, Aaron E

    2010-01-01

    The leaf unfolding rate (i.e., development rate) and the number of nodes forming prior to floral initiation are 2 factors determining production times for floriculture crops. Wild relative species of the cultivated petunia (Petunia x hybrida Vilm.) that exhibited faster development rates than modern cultivars and may therefore be useful genetic sources to develop cultivars with decreased production time were identified. Three interspecific F(2) families, Petunia exserta Stehmann x P. axillaris (Lam.) Britton et al., P. x hybrida 'Mitchell' x P. axillaris, and P. axillaris x P. integrifolia (Hook.) Schinz & Thell. all exhibited transgressive segregation for development rate and node number below the first flower. Development rate and time to flower segregated independently in all families. Leaf number below the first flower was positively correlated with leaf unfolding rate in all families except P. axillaris x P. integrifolia. Time to flower was positively correlated with flower bud number in the P. x hybrida 'Mitchell' x P. axillaris and P. axillaris x P. integrifolia families only. Based on these results, wild Petunia germplasm should be useful for developing petunia cultivars with reduced crop production times, but some negative effects on crop quality parameters may need to be overcome.

  14. Limits on the impact parameters occurring in specific K-p interactions at 8.25 GeV/c

    International Nuclear Information System (INIS)

    Simopoulon, E.; Fry, J.R.; Muirhead, H.; Rohringer, H.; Apostolakis, A.; Papaelias, P.; Rosaki, H.; Vassiliadis, G.; Filippas, T.A.; Grammatikakis, G.; Tsilimigras, P.; Vayaki, A.; Dallman, D.P.; Markytan, M.

    1976-01-01

    The authors have determined a lower limit of the impact parameter for the reaction associated with the channels K - p→K - pπ + π - and K - p→LAMBDAπ + π - π 0 . The limit was found to be highest for the diffractive part of the first channel (approximately 0.52fm) and smallest for the forward LAMBDA in the second channel (approximately 0.21fm). They have also examined the elements of the inverse correlation matrix for the transfer: the off-diagonal elements are small (consistent with zero) for n=4-7 body products. The log of the correlation matrix as a function of mod(i-j) falls on a straight line and the eigenvalue lambda 1 of the transverse momentum transfer eigenfunction was found to increase slightly from approximately 0.6 for 4-body to approximately 0.7 for 7-body products. The of the Qsub(i), Qsub(j) shows similar behaviour to the . (Auth.)

  15. Precision measurements of the $^{60}$Co $\\beta$-asymmetry parameter in search for tensor currents in weak interactions

    CERN Document Server

    Wauters, F; Zákoucký, D; Beck, M; Breitenfeldt, M; De Leebeeck, V; Golovko, V V; Kozlov, V Yu; Phalet, T; Roccia, S; Soti, G; Tandecki, M; Towner, I S; Traykov, E; Van Gorp, S; Severijns, N

    2010-01-01

    The $\\beta$-asymmetry parameter $\\widetilde{A}$ for the Gamow-Teller decay of $^{60}$Co was measured by polarizing the radioactive nuclei with the brute force low-temperature nuclear-orientation method. The $^{60}$Co activity was cooled down to milliKelvin temperatures in a $^3$He-$^4$He dilution refrigerator in an external 13 T magnetic field. The $\\beta$ particles were observed by a 500 ${\\mu}m$ thick Si PIN diode operating at a temperature of about 10 K in a magnetic field of 0.6 T. Extensive GEANT4 Monte-Carlo simulations were performed to gain control over the systematic effects. Our result, $\\widetilde{A} = -1.014(12)_{stat}(16)_{syst}$, is in agreement with the Standard-Model value of $-0.987(9)$, which includes recoil-order corrections that were addressed for the first time for this isotope. Further, it enables limits to be placed on possible tensor-type charged weak currents as well as other physics beyond the Standard Model.

  16. 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 ...

  17. Interactive effects of copper stress and arbuscular mycorrhizal fungi on photosynthetic characteristics and chlorphyl fluorescence parameters of elsholtzia splendens

    International Nuclear Information System (INIS)

    Li, Y.; Jin, Z.; Li, J.

    2017-01-01

    To determine interactive effects of added copper (Cu) and arbuscular mycorrhizal fungi (AMF) inoculation on the photosynthesis of Elsholtzia splendens, a greenhouse pot experiment was conducted. Four treatments were used, including -Cu-AMF (no Cu addition and no AMF inoculation), +Cu-AMF (Cu addition but no AMF inoculation), -Cu+AMF (no Cu addition and AMF inoculation), and +Cu+AMF (Cu addition and AMF inoculation). Cu addition did not change diurnal variation curves of the net photosynthetic rate(PN), the intercellular CO/sub 2/ concentration (Ci), the stomatal conductance (gs), or the transpiration rate (E); however, it significantly decreased the daily mean PN, gs, E, light-use efficiency (LUE), and carboxylation efficiency (CE). Furthermore, AMF inoculation significantly increased the daily mean PN, gs, LUE, and CE of E. splendens. In response to light, Cu addition significantly decreased the light-saturated net photosynthetic rate (PNmax), the light saturation point (LSP), the light compensation point (LCP), and the apparent quantum yield (AQY), while AMF inoculation significantly increased PNmax and AQY. In response to the CO/sub 2/ concentration, Cu addition significantly decreased PNmax and the CO/sub 2/ saturation point (CSP), while AMF inoculation significantly increased PNmax. Both Cu addition and AMF inoculation significantly decreased the relative chlorophyll content. Compared to the negative control treatment (-Cu-AMF), Cu addition significantly increased the minimal fluorescence, but significantly decreased maximal fluorescence, variable fluorescence,and maximum photochemical efficiency of PSII. These results suggest that AMF inoculations alleviate the inhibitory effect of copper stress on E. splendens plants by weakening its toxic effects on the photosynthetic apparatus and pigments. (author)

  18. Investigation of thermoluminescence and electron-vibrational interaction parameters in SrAl2O4:Eu2+, Dy3+ phosphors

    International Nuclear Information System (INIS)

    Pardhi, Shilpa A.; Nair, Govind B.; Sharma, Ravi; Dhoble, S.J.

    2017-01-01

    Combustion synthesis method was employed for the synthesis of green-emitting monoclinic SrAl 2 O 4 :Eu 2+ , Dy 3+ phosphors. The phase-purity of the prepared phosphors were examined using X-ray diffraction (XRD). The prepared phosphors exhibited green light emission with the peak centred at 510 nm, under 350 nm UV excitation. The excitation and emission spectra were analysed and the parameters of electron-vibrational interaction (EVI), such as the Huang–Rhys factor, effective phonon energy and zero-phonon line position were estimated using the spectrum fitting method. Thermoluminescence (TL) behaviour of the as-prepared phosphors were analysed for UV and 137 Cs γ-ray source irradiation. TL glow curves for UV-irradiated SrAl 2 O 4 :Eu 2+ , Dy 3+ phosphors were analysed. - Highlights: • Photoluminescence and thermoluminescence properties of SrAl 2 O 4 :Eu 2+ ,Dy 3+ phosphors were analysed. • Electron-vibrational interaction (EVI) parameters of SrAl 2 O 4 :Eu 2+ ,Dy 3+ phosphors were determined. • The phosphors are found to exhibit green light emission.

  19. 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.

  20. 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

  1. 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.

  2. Electronic polarizability, optical basicity and interaction parameter for Nd{sub 2}O{sub 3} doped lithium-zinc-phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Algradee, M.A.; Sultan, M.; Samir, O.M.; Alwany, A.E.B. [Ibb University, Department of Physics, Faculty of Science, Ibb (Yemen)

    2017-08-15

    The Nd{sup 3+}-doped lithium-zinc-phosphate glasses were prepared by means of conventional melt quenching method. X-ray diffraction results confirmed the glassy nature of the studied glasses. The physical parameters such as the density, molar volume, ion concentration, polaron radius, inter-ionic distance, field strength and oxygen packing density were calculated using different formulae. The transmittance and reflectance spectra of glasses were recorded in the wavelength range 190-1200 nm. The values of optical band gap and Urbach energy were determined based on Mott-Davis model. The refractive indices for the studied glasses were evaluated from optical band gap values using different methods. The average electronic polarizability of the oxide ions, optical basicity and an interaction parameter were investigated from the calculated values of the refractive index and the optical band gap for the studied glasses. The variations in the different physical and optical properties of glasses with Nd{sub 2}O{sub 3} content were discussed in terms of different parameters such as non-bridging oxygen and different concentrations of Nd cation in glass system. (orig.)

  3. 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

  4. The role of binary and many-centre molecular interactions in spin crossover in the solid state. Part II. Non-ideality parameters defined via binary molecular potentials

    International Nuclear Information System (INIS)

    Koudriavtsev, A.B.; Linert, W.

    2005-01-01

    Parameters of the formalism [1-6] describing spin crossover in the solid state have been defined via molecular potentials in model systems of neutral and ionic complexes. In the first instance Lennard-Jones and electric dipole-dipole potentials have been used whereas in ionic systems Lennard-Jones and electric point-charge potentials have been used. Electric dipole-dipole interaction of neutral complexes brings about a positive excess energy controlled by the difference of electric dipole moments of HS and LS molecules. Differences of the order of Δμ = 1-2D cause an abrupt spin crossover in systems with T 1/2 = 100-150K. Magnetic coupling contributes both to the excess energy and excess entropy, however the overall effect is equivalent to a modest positive excess energy. Ionic systems in the absence of specific interactions are characterized by very small excess energies corresponding to practically linear van't Hoff plots. Detectable positive and negative excess energies in these systems may arise from interactions of ligands belonging to neighbouring complexes. The HOMO-LUMO overlap in HS-LS pairs can bring about a nontrivial variation of the shape of transition curves. Examples of regression analysis of experimental transition curves in terms of molecular potentials are given. (author)

  5. 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.

  6. Distinct iris gene expression profiles of primary angle closure glaucoma and primary open angle glaucoma and their interaction with ocular biometric parameters.

    Science.gov (United States)

    Seet, Li-Fong; Narayanaswamy, Arun; Finger, Sharon N; Htoon, Hla M; Nongpiur, Monisha E; Toh, Li Zhen; Ho, Henrietta; Perera, Shamira A; Wong, Tina T

    2016-11-01

    This study aimed to evaluate differences in iris gene expression profiles between primary angle closure glaucoma (PACG) and primary open angle glaucoma (POAG) and their interaction with biometric characteristics. Prospective study. Thirty-five subjects with PACG and thirty-three subjects with POAG who required trabeculectomy were enrolled at the Singapore National Eye Centre, Singapore. Iris specimens, obtained by iridectomy, were analysed by real-time polymerase chain reaction for expression of type I collagen, vascular endothelial growth factor (VEGF)-A, -B and -C, as well as VEGF receptors (VEGFRs) 1 and 2. Anterior segment optical coherence tomography (ASOCT) imaging for biometric parameters, including anterior chamber depth (ACD), anterior chamber volume (ACV) and lens vault (LV), was also performed pre-operatively. Relative mRNA levels between PACG and POAG irises, biometric measurements, discriminant analyses using genes and biometric parameters. COL1A1, VEGFB, VEGFC and VEGFR2 mRNA expression was higher in PACG compared to POAG irises. LV, ACD and ACV were significantly different between the two subgroups. Discriminant analyses based on gene expression, biometric parameters or a combination of both gene expression and biometrics (LV and ACV), correctly classified 94.1%, 85.3% and 94.1% of the original PACG and POAG cases, respectively. The discriminant function combining genes and biometrics demonstrated the highest accuracy in cross-validated classification of the two glaucoma subtypes. Distinct iris gene expression supports the pathophysiological differences that exist between PACG and POAG. Biometric parameters can combine with iris gene expression to more accurately define PACG from POAG. © 2016 The Authors. Clinical & Experimental Ophthalmology published by John Wiley & Sons Australia, Ltd on behalf of Royal Australian and New Zealand College of Ophthalmologists.

  7. 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.

  8. Lumped-parameter models

    Energy Technology Data Exchange (ETDEWEB)

    Ibsen, Lars Bo; Liingaard, M.

    2006-12-15

    A lumped-parameter model represents the frequency dependent soil-structure interaction of a massless foundation placed on or embedded into an unbounded soil domain. In this technical report the steps of establishing a lumped-parameter model are presented. Following sections are included in this report: Static and dynamic formulation, Simple lumped-parameter models and Advanced lumped-parameter models. (au)

  9. An evaluation of the influence of fuel design parameters and burnup on pellet/cladding interaction for boiling water reactor fuel rod through in-core diameter measurement

    International Nuclear Information System (INIS)

    Yanagisawa, K.

    1986-01-01

    The influence of design parameters and burning on pellet/cladding interaction (PCI) of current boiling water reactor fuel rods was studied through in-core diameter measurement. Thinner cladding and a smaller diametral gap enhanced the PCI during startup. At constant power, fuel with SiO 2 added greatly reduced PCI due to relaxation. The fuel with a small grain size greatly reduced PCI due to densification. Preirradiation of rods up to 23 MWd/kgU caused a large PCI not only in a small gap but also in a large gap rod. Relaxation and permanent deformation was small. In the power increase experiment, one rod experienced PCI failure. The spurt times of coolant radioactivity coincided well with the sudden drop of cladding axial strain and marked crack opening at the rod surface. The estimated hoop stress predicted by FEMAXI-III was 350 MPa at the failure

  10. Effect of gamma radiation on the microbiological and physicochemical parameters and on the phenolic compounds of a fruit residue flour during storage; Efeito da radiação gama nos parâmetros microbiológicos, físico-químicos e compostos fenólicos de farinha de resíduos de frutas durante armazenamento

    Energy Technology Data Exchange (ETDEWEB)

    Aranha, Jessica Bomtorin; Negri, Talita Costa; Martin, José Guilherme Prado; Spoto, Marta Helena Fillet, E-mail: jessica.aranha@usp.br [Escola Superior de Agricultura Luiz de Queiroz (ESALQ/USP), Piracicaba, SP (Brazil). Dept. de Agroindústria, Alimentos e Nutrição

    2017-07-01

    Agroindustrial residues have high levels of nutrients, but are little exploited for consumption because they require prior treatment to ensure microbiological safety. Irradiation is an effective process for the reduction of microbial counts with maintenance of the product characteristics. The objective of this study was to evaluate the effect of irradiation on the microbiological quality, physicochemical properties and phenolic compounds of a fruit residue flour during storage. The flour was obtained from dehydrated residues of pineapple, melon, papaya and apple, which were submitted to irradiation doses of (0, 1, 2 and 3 kGy). The microbiological (coliforms, moulds, yeast and Salmonella sp. counts) and physicochemical (pH, titratable acidity, soluble solids, water activity, colour parameters L⁎, a⁎ and b⁎ and phenolic compounds) parameters were evaluated after 0, 7, 14 and 21 days of storage. All the irradiation treatments reduced the microbial count, and the presence of Salmonella sp was not detected in any of the samples. The acidity and pH showed changes during storage. The soluble solids and water activity showed no significant differences between the doses during storage. The phenolic compounds were preserved by the application of irradiation. The colour of the flour samples darkened slightly with irradiation. It was concluded that the most effective doses for the maintenance of the microbiological quality and physicochemical characteristics of the flour were 2 and 3 kGy. (author)

  11. Abstracts and parameter index database for reports pertaining to the unsaturated zone and surface water-ground water interactions at the Idaho National Engineering Laboratory

    International Nuclear Information System (INIS)

    Bloomsburg, G.; Finnie, J.; Horn, D.; King, B.; Liou, J.

    1993-05-01

    This report is a product generated by faculty at the University of Idaho in support of research and development projects on Unsaturated Zone Contamination and Transport Processes, and on Surface Water-Groundwater Interactions and Regional Groundwater Flow at the Idaho National Engineering Laboratory. These projects are managed by the State of Idaho's INEL Oversight Program under a grant from the US Department of Energy. In particular, this report meets project objectives to produce a site-wide summary of hydrological information based on a literature search and review of field, laboratory and modeling studies at INEL, including a cross-referenced index to site-specific physical, chemical, mineralogic, geologic and hydrologic parameters determined from these studies. This report includes abstracts of 149 reports with hydrological information. For reports which focus on hydrological issues, the abstracts are taken directly from those reports; for reports dealing with a variety of issues beside hydrology, the abstracts were generated by the University of Idaho authors concentrating on hydrology-related issues. Each abstract is followed by a ''Data'' section which identifies types of technical information included in a given report, such as information on parameters or chemistry, mineralogy, stream flows, water levels. The ''Data'' section does not include actual values or data

  12. Interaction parameters of poly(vinyl methyl ether) in 2-propanol-water mixture as determined by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Takada, Masako; Kurita, Kimio; Okano, Koji; Furusaka, Michihiro.

    1994-01-01

    The small-angle neutron scattering from semidilute solutions of poly(vinyl methyl ether)(PVME) in a 2-propanol-water mixture has been measured, the volume concentration of 2-propanol in the aqueous solvent being 10%, in the temperature range just below the lower critical solution temperature(LCST). The binary and ternary cluster integrals of polymer segments were determined from the concentration dependence of the correlation length at each temperature. We have calculated the contribution of segment-segment interaction to the entropy, S int and enthalpy, U int from the measured temperature dependences of these interaction parameters and found that both values are positive in accordance with the previously measured PVME-water system and PVME-(water+methanol) system. However, the value of S int for PVME-(water+2-propanol) system is larger than that for PVME-(water+methanol) system having the same alcohol concentration, and it is even larger than that for PVME-water system. This anomalous behavior is explained as due to the preferential solvation of 2-propanol molecules to the segments of PVME. (author)

  13. Food and Environmental Protection Laboratory, Seibersdorf: Discrimination of honey of different floral origins by a combination of various chemical parameters; Stable Isotopes Applied to Authenticating Honey; The use of analyte protectants in pesticide residue analytical work

    International Nuclear Information System (INIS)

    Zora Jandrić, Zora; Frew, Russell; Abrahim, Aiman; Maestroni, Britt; Ochoa, Victoria

    2014-01-01

    In the previous newsletter, we reported on research into methodology for the classification of honey of various floral and geographical origins using UPLC-QToF MS and MVA.The research on honey authenticity was expanded using multivariate data analysis of data generated by a number of different analytical techniques to discriminate honeys of different floral origins. The feasibility of a multivariate approach, including various chemical parameters and multivariate data analysis, for the discrimination of various honeys originating from one region, was explored. One of the earliest applications of nuclear techniques for food authenticity was the use of carbon isotopes to detect the addition of cheap sugars in honey in the 1970s. The principle is that the cheap sugar (fructose) is derived from corn and has a higher 13 C/ 12 C that the fructose from honey. This difference is due to the different photosynthetic pathways; corn is a C4 plant and that mechanism does not discriminate against the 13 C as much as the C3 pathway used by most honey-producing plants. Consequently the two plant types have quite different carbon isotope ratios. Thus measurements of the carbon isotope ratios can distinguish between the two sources of fructose. However, within each plant population there is natural variability in isotope ratios. This makes detecting the addition of small amounts of corn syrup difficult. The test was further refined by its developers to use 13 C/ 12 C measurements on protein purified from the honey as an internal reference, based on the fact that if the sugar and protein are from the same plant then they should be closely related in isotopic ratio. This refined method was adopted by the Association of Analytical Chemists as an official method (AOAC 998.12) and is part of the Codex Alimentarius standard for testing authenticity of honey. This test is generally reliable. However, some honey, notably New Zealand manuka, has a frequent fail rate. Manuka is a premium

  14. Magnetic hyperthermia properties of nanoparticles inside lysosomes using kinetic Monte Carlo simulations: Influence of key parameters and dipolar interactions, and evidence for strong spatial variation of heating power

    Science.gov (United States)

    Tan, R. P.; Carrey, J.; Respaud, M.

    2014-12-01

    Understanding the influence of dipolar interactions in magnetic hyperthermia experiments is of crucial importance for fine optimization of nanoparticle (NP) heating power. In this study we use a kinetic Monte Carlo algorithm to calculate hysteresis loops that correctly account for both time and temperature. This algorithm is shown to correctly reproduce the high-frequency hysteresis loop of both superparamagnetic and ferromagnetic NPs without any ad hoc or artificial parameters. The algorithm is easily parallelizable with a good speed-up behavior, which considerably decreases the calculation time on several processors and enables the study of assemblies of several thousands of NPs. The specific absorption rate (SAR) of magnetic NPs dispersed inside spherical lysosomes is studied as a function of several key parameters: volume concentration, applied magnetic field, lysosome size, NP diameter, and anisotropy. The influence of these parameters is illustrated and comprehensively explained. In summary, magnetic interactions increase the coercive field, saturation field, and hysteresis area of major loops. However, for small amplitude magnetic fields such as those used in magnetic hyperthermia, the heating power as a function of concentration can increase, decrease, or display a bell shape, depending on the relationship between the applied magnetic field and the coercive/saturation fields of the NPs. The hysteresis area is found to be well correlated with the parallel or antiparallel nature of the dipolar field acting on each particle. The heating power of a given NP is strongly influenced by a local concentration involving approximately 20 neighbors. Because this local concentration strongly decreases upon approaching the surface, the heating power increases or decreases in the vicinity of the lysosome membrane. The amplitude of variation reaches more than one order of magnitude in certain conditions. This transition occurs on a thickness corresponding to approximately

  15. Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions - Part 1: General equations, parameters, and terminology

    Science.gov (United States)

    Pöschl, U.; Rudich, Y.; Ammann, M.

    2007-12-01

    Aerosols and clouds play central roles in atmospheric chemistry and physics, climate, air pollution, and public health. The mechanistic understanding and predictability of aerosol and cloud properties, interactions, transformations, and effects are, however, still very limited. This is due not only to the limited availability of measurement data, but also to the limited applicability and compatibility of model formalisms used for the analysis, interpretation, and description of heterogeneous and multiphase processes. To support the investigation and elucidation of atmospheric aerosol and cloud surface chemistry and gas-particle interactions, we present a comprehensive kinetic model framework with consistent and unambiguous terminology and universally applicable rate equations and parameters. It enables a detailed description of mass transport and chemical reactions at the gas-particle interface, and it allows linking aerosol and cloud surface processes with gas phase and particle bulk processes in systems with multiple chemical components and competing physicochemical processes. The key elements and essential aspects of the presented framework are: a simple and descriptive double-layer surface model (sorption layer and quasi-static layer); straightforward flux-based mass balance and rate equations; clear separation of mass transport and chemical reactions; well-defined and consistent rate parameters (uptake and accommodation coefficients, reaction and transport rate coefficients); clear distinction between gas phase, gas-surface, and surface-bulk transport (gas phase diffusion, surface and bulk accommodation); clear distinction between gas-surface, surface layer, and surface-bulk reactions (Langmuir-Hinshelwood and Eley-Rideal mechanisms); mechanistic description of concentration and time dependences (transient and steady-state conditions); flexible addition of unlimited numbers of chemical species and physicochemical processes; optional aggregation or resolution

  16. Investigation of the interactions of critical scale-up parameters (pH, pO2 and pCO2) on CHO batch performance and critical quality attributes.

    Science.gov (United States)

    Brunner, Matthias; Fricke, Jens; Kroll, Paul; Herwig, Christoph

    2017-02-01

    Understanding process parameter interactions and their effects on mammalian cell cultivations is an essential requirement for robust process scale-up. Furthermore, knowledge of the relationship between the process parameters and the product critical quality attributes (CQAs) is necessary to satisfy quality by design guidelines. So far, mainly the effect of single parameters on CQAs was investigated. Here, we present a comprehensive study to investigate the interactions of scale-up relevant parameters as pH, pO 2 and pCO 2 on CHO cell physiology, process performance and CQAs, which was based on design of experiments and extended product quality analytics. The study used a novel control strategy in which process parameters were decoupled from each other, and thus allowed their individual control at defined set points. Besides having identified the impact of single parameters on process performance and product quality, further significant interaction effects of process parameters on specific cell growth, specific productivity and amino acid metabolism could be derived using this method. Concerning single parameter effects, several monoclonal antibody (mAb) charge variants were affected by process pCO 2 and pH. N-glycosylation analysis showed positive correlations between mAb sialylation and high pH values as well as a relationship between high mannose variants and process pH. This study additionally revealed several interaction effects as process pH and pCO 2 interactions on mAb charge variants and N-glycosylation pattern. Hence, through our process control strategy and multivariate investigation, novel significant process parameter interactions and single effects were identified which have to be taken into account especially for process scale-up.

  17. Towards Improving our Understanding on the Retrievals of Key Parameters Characterising Land Surface Interactions from Space: Introduction & First Results from the PREMIER-EO Project

    Science.gov (United States)

    Ireland, Gareth; North, Matthew R.; Petropoulos, George P.; Srivastava, Prashant K.; Hodges, Crona

    2015-04-01

    Acquiring accurate information on the spatio-temporal variability of soil moisture content (SM) and evapotranspiration (ET) is of key importance to extend our understanding of the Earth system's physical processes, and is also required in a wide range of multi-disciplinary research studies and applications. The utility and applicability of Earth Observation (EO) technology provides an economically feasible solution to derive continuous spatio-temporal estimates of key parameters characterising land surface interactions, including ET as well as SM. Such information is of key value to practitioners, decision makers and scientists alike. The PREMIER-EO project recently funded by High Performance Computing Wales (HPCW) is a research initiative directed towards the development of a better understanding of EO technology's present ability to derive operational estimations of surface fluxes and SM. Moreover, the project aims at addressing knowledge gaps related to the operational estimation of such parameters, and thus contribute towards current ongoing global efforts towards enhancing the accuracy of those products. In this presentation we introduce the PREMIER-EO project, providing a detailed overview of the research aims and objectives for the 1 year duration of the project's implementation. Subsequently, we make available the initial results of the work carried out herein, in particular, related to an all-inclusive and robust evaluation of the accuracy of existing operational products of ET and SM from different ecosystems globally. The research outcomes of this project, once completed, will provide an important contribution towards addressing the knowledge gaps related to the operational estimation of ET and SM. This project results will also support efforts ongoing globally towards the operational development of related products using technologically advanced EO instruments which were launched recently or planned be launched in the next 1-2 years. Key Words: PREMIER

  18. Measurement of the β-asymmetry parameter of Cu67 in search for tensor-type currents in the weak interaction

    Science.gov (United States)

    Soti, G.; Wauters, F.; Breitenfeldt, M.; Finlay, P.; Herzog, P.; Knecht, A.; Köster, U.; Kraev, I. S.; Porobic, T.; Prashanth, P. N.; Towner, I. S.; Tramm, C.; Zákoucký, D.; Severijns, N.

    2014-09-01

    Background: Precision measurements at low energy search for physics beyond the standard model in a way complementary to searches for new particles at colliders. In the weak sector the most general β-decay Hamiltonian contains, besides vector and axial-vector terms, also scalar, tensor, and pseudoscalar terms. Current limits on the scalar and tensor coupling constants from neutron and nuclear β decay are on the level of several percent. Purpose: Extracting new information on tensor coupling constants by measuring the β-asymmetry parameter in the pure Gamow-Teller decay of Cu67, thereby testing the V-A structure of the weak interaction. Method: An iron sample foil into which the radioactive nuclei were implanted was cooled down to mK temperatures in a 3He-4He dilution refrigerator. An external magnetic field of 0.1 T, in combination with the internal hyperfine magnetic field, oriented the nuclei. The anisotropic β radiation was observed with planar high-purity germanium detectors operating at a temperature of about 10 K. An on-line measurement of the β asymmetry of Cu68 was performed as well for normalization purposes. Systematic effects were investigated using geant4 simulations. Results: The experimental value, Ã=0.587(14), is in agreement with the standard model value of 0.5991(2) and is interpreted in terms of physics beyond the standard model. The limits obtained on possible tensor-type charged currents in the weak interaction Hamiltonian are -0.045<(CT+CT')/CA<0.159 (90% C.L.). Conclusions: The obtained limits are comparable to limits from other correlation measurements in nuclear β decay and contribute to further constraining tensor coupling constants.

  19. Influence of environmental parameters and of their interactions on the release of metal(loid)s from a construction material in hydraulic engineering

    International Nuclear Information System (INIS)

    Schmukat, A.; Duester, L.; Goryunova, E.; Ecker, D.; Heininger, P.; Ternes, T.A.

    2016-01-01

    Highlights: • DoE supported multi-factorial study on the metal(loid) release from copper slag. • Interactions of four parameters were studied and weighted. • An effective separation method between slag and sediment was established. • The metal(loid) partitioning between sediment, slag and eluent is described. • The knowledge on the potential environmental impact of copper slag is increased. - Abstract: Besides the leaching behaviour of a construction material under standardised test-specific conditions with laboratory water, for some construction materials it is advisable to test their environmental behaviour also under close to end use conditions. The envisaged end use combined with the product characteristics (e.g. mineral phases) is decisive for the choice of environmental factors that may change the release of substance that potentially cause adverse environmental effects (e.g. fertilisation or ecotoxicity). At the moment an experimental link is missing between mono-factorial standardised test systems and non standardised complex incubation experiments such as mesocosms which are closer to environmental conditions. Multi-factorial batch experiments may have the potential to close the gap. To verify this, batch experiments with copper slag were performed which is used as armour stones in hydraulic engineering. Design of experiments (DoE) was applied to evaluate the impact of pH, ionic strength, temperature and sediment content on the release of As, Cu, Mo, Ni, Pb, Sb and Zn. The study shows that release and sediment-eluent partitioning of metal(loid)s are impacted by interactions between the studied factors. Under the prevalent test conditions sediment acts as a sink enhancing most strongly the release of elements from the material.

  20. Influence of environmental parameters and of their interactions on the release of metal(loid)s from a construction material in hydraulic engineering

    Energy Technology Data Exchange (ETDEWEB)

    Schmukat, A., E-mail: schmukat@harzwasserwerke.de [Harzwasserwerke GmbH, Zur Granetalsperre 8, 38685 Langelsheim (Germany); Federal Institute of Hydrology, Department of Aquatic Chemistry, Am Mainzer Tor 1, 56068 Koblenz (Germany); Duester, L. [Federal Institute of Hydrology, Department of Aquatic Chemistry, Am Mainzer Tor 1, 56068 Koblenz (Germany); Goryunova, E. [Federal Institute of Hydrology, Department of Aquatic Chemistry, Am Mainzer Tor 1, 56068 Koblenz (Germany); KAPP-Chemie GmbH & Co. KG, Industriestr. 2-4, 56357 Miehlen (Germany); Ecker, D.; Heininger, P.; Ternes, T.A. [Federal Institute of Hydrology, Department of Aquatic Chemistry, Am Mainzer Tor 1, 56068 Koblenz (Germany)

    2016-03-05

    Highlights: • DoE supported multi-factorial study on the metal(loid) release from copper slag. • Interactions of four parameters were studied and weighted. • An effective separation method between slag and sediment was established. • The metal(loid) partitioning between sediment, slag and eluent is described. • The knowledge on the potential environmental impact of copper slag is increased. - Abstract: Besides the leaching behaviour of a construction material under standardised test-specific conditions with laboratory water, for some construction materials it is advisable to test their environmental behaviour also under close to end use conditions. The envisaged end use combined with the product characteristics (e.g. mineral phases) is decisive for the choice of environmental factors that may change the release of substance that potentially cause adverse environmental effects (e.g. fertilisation or ecotoxicity). At the moment an experimental link is missing between mono-factorial standardised test systems and non standardised complex incubation experiments such as mesocosms which are closer to environmental conditions. Multi-factorial batch experiments may have the potential to close the gap. To verify this, batch experiments with copper slag were performed which is used as armour stones in hydraulic engineering. Design of experiments (DoE) was applied to evaluate the impact of pH, ionic strength, temperature and sediment content on the release of As, Cu, Mo, Ni, Pb, Sb and Zn. The study shows that release and sediment-eluent partitioning of metal(loid)s are impacted by interactions between the studied factors. Under the prevalent test conditions sediment acts as a sink enhancing most strongly the release of elements from the material.

  1. Interaction between cytokine gene polymorphisms and the effect of physical exercise on clinical and inflammatory parameters in older women: study protocol for a randomized controlled trial.

    Science.gov (United States)

    Pereira, Daniele S; Queiroz, Bárbara Z; Mateo, Elvis C C; Assumpção, Alexandra M; Felício, Diogo C; Miranda, Aline S; Anjos, Daniela M C; Jesus-Moraleida, Fabianna; Dias, Rosângela C; Pereira, Danielle A G; Teixeira, Antônio L; Pereira, Leani S M

    2012-08-08

    Aging is associated with chronic low-grade inflammatory activity with an elevation of cytokine levels. An association between regular physical activity and reduction of blood levels of anti-inflammatory cytokines is demonstrated in the literature pointing to an anti-inflammatory effect related to exercise. However, there is no consensus regarding which type of exercise and which parameters are the most appropriate to influence inflammatory markers. Evidence indicates that the single nucleotide polymorphism (SNP) can influence the synthesis of those cytokines affecting their production. The design of this study is a randomized controlled trial. The aim of this study is to investigate the interaction between the cytokine genes SNP and the effect of physical activity on older women. The main outcomes are: serum levels of sTNFR-1, sTNFR-2, interleukin (IL)-6, IL-10, measured by the ELISA method; genotyping of tumor necrosis factor- (TNF)-alpha (rs1800629), IL6 (rs1800795), IL10 (rs1800896) by the TaqMan Method (Applied Biosystems, Foster City, CA, USA); and physical performance assessed by Timed Up and Go and 10-Meter Walk Tests. Secondary outcomes include: Geriatric Depression Scale, Perceived Stress Scaleand aerobic capacity, assessed by the six-minute walk; and lower limb muscle strength, using an isokinetic dinamometer (Biodex Medical Systems, Inc., Shirley, NY,USA). Both exercise protocols will be performed three times a week for 10 weeks, 30 sessions in total. Investigating the interaction between genetic factors and exercise effects of both protocols of exercise on the levels of inflammatory cytokine levels can contribute to guide clinical practice related to treatment and prevention of functional changes due to chronic inflammatory activity in older adults. This approach could develop new perspectives on preventive and treatment proposals in physical therapy and in the management of the older patient. (ReBEC) RBR9v9cwf.

  2. Interaction between cytokine gene polymorphisms and the effect of physical exercise on clinical and inflammatory parameters in older women: study protocol for a randomized controlled trial

    Directory of Open Access Journals (Sweden)

    Pereira Daniele S

    2012-08-01

    Full Text Available Abstract Background Aging is associated with chronic low-grade inflammatory activity with an elevation of cytokine levels. An association between regular physical activity and reduction of blood levels of anti-inflammatory cytokines is demonstrated in the literature pointing to an anti-inflammatory effect related to exercise. However, there is no consensus regarding which type of exercise and which parameters are the most appropriate to influence inflammatory markers. Evidence indicates that the single nucleotide polymorphism (SNP can influence the synthesis of those cytokines affecting their production. Methods/Design The design of this study is a randomized controlled trial. The aim of this study is to investigate the interaction between the cytokine genes SNP and the effect of physical activity on older women. The main outcomes are: serum levels of sTNFR-1, sTNFR-2, interleukin (IL-6, IL-10, measured by the ELISA method; genotyping of tumor necrosis factor- (TNF-alpha (rs1800629, IL6 (rs1800795, IL10 (rs1800896 by the TaqMan Method (Applied Biosystems, Foster City, CA, USA; and physical performance assessed by Timed Up and Go and 10-Meter Walk Tests. Secondary outcomes include: Geriatric Depression Scale, Perceived Stress Scaleand aerobic capacity, assessed by the six-minute walk; and lower limb muscle strength, using an isokinetic dinamometer (Biodex Medical Systems, Inc., Shirley, NY,USA. Both exercise protocols will be performed three times a week for 10 weeks, 30 sessions in total. Discussion Investigating the interaction between genetic factors and exercise effects of both protocols of exercise on the levels of inflammatory cytokine levels can contribute to guide clinical practice related to treatment and prevention of functional changes due to chronic inflammatory activity in older adults. This approach could develop new perspectives on preventive and treatment proposals in physical therapy and in the management of the older patient

  3. Thermodynamic parameters for the protonation and the interaction of arsenate with Mg2+, Ca2+ and Sr2+: Application to natural waters.

    Science.gov (United States)

    Chillè, Donatella; Foti, Claudia; Giuffrè, Ottavia

    2018-01-01

    Thermodynamic parameters for the protonation of AsO 4 3- and for the interaction with Mg 2+ , Ca 2+ and Sr 2+ were reported, comprehensive also of their dependence on ionic strength, considering the 0.1 ≤ I ≤ 1 M range and using NaCl as background salt. The same speciation models were obtained for Mg 2+ , Ca 2+ and Sr 2+ systems, with the formation of three different species: ML, MLH and MLH 2 (L = AsO 4 3- ). Mono- and di-protonated species were very weak, with formation constant values (log K) ranging from 1.45 to 3.23. In order to have a complete picture of thermodynamic properties of the systems under study and to fill the shortage of thermodynamic data on arsenate complex systems, the ligand protonation and metal complex enthalpies were also determined by calorimetric titrations, at t = 25 °C and in NaCl at I = 0.7 M (for H + -AsO 4 3- species also at I = 0.1 M). On the light of the proposed speciation models, examples of As(V) distribution in some natural waters are reported. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Use of specific features of electron and positron interactions with monocrystals for the control of high-energy particle beam parameters

    International Nuclear Information System (INIS)

    Bochek, G.L.; Vit'ko, V.I.; Grishaev, I.A.; Kovalenko, G.D.; Kulibaba, V.I.; Morokhovskij, V.L.; Shramenko, B.I.

    1977-01-01

    To study possibilities of using the effect of high energy positron and electron interactions with crystals in practice at the 2 GeV Kharkov lineac the effect of a light particle charge sign on the processes of bremsstrahlung, elastic scattering and revealing ''blocking effect'' in elastic scatterina has been investigated experimentally of 1 GeV electron (positron) beam is directed to a silicon crystal of 185 μkm thickness. Dependence of total bremsstrahlung flow on the angle between the beam direction and crystal axis has shown, that positron bremsstrahlung is minimum (positrons are channelling, but electron bremsstrahlung is maximum, when crystallographic axis direction coincides with particle direction. The process of positron annihilation in flight has been investigated in 300 μkm thick silicon monocrystal. Bremsstrahlung intensity for channeling positrons drops 4.4 times, and intensity of annihilation radiation - 1.6 times as compared to the case, when channeling regime is absent. Experimental data point out the possibility of using monocrystals for control of the parameters of high-energy particle control beams

  5. Noise and noise disturbances from wind power plants - Tests with interactive control of sound parameters for more comfortable and less perceptible sounds

    International Nuclear Information System (INIS)

    Persson-Waye, K.; Oehrstroem, E.; Bjoerkman, M.; Agge, A.

    2001-12-01

    In experimental pilot studies, a methodology has been worked out for interactively varying sound parameters in wind power plants. In the tests, 24 persons varied the center frequency of different band-widths, the frequency of a sinus-tone and the amplitude-modulation of a sinus-tone in order to create as comfortable a sound as possible. The variations build on the noise from the two wind turbines Bonus and Wind World. The variations were performed with a constant dba level. The results showed that the majority preferred a low-frequency tone (94 Hz and 115 Hz for Wind World and Bonus, respectively). The mean of the most comfortable amplitude-modulation varied between 18 and 22 Hz, depending on the ground frequency. The mean of the center-frequency for the different band-widths varied from 785 to 1104 Hz. In order to study the influence of the wind velocity on the acoustic character of the noise, a long-time measurement program has been performed. A remotely controlled system has been developed, where wind velocity, wind direction, temperature and humidity are registered simultaneously with the noise. Long-time registrations have been performed for four different wing turbines

  6. Dynamic determination of kinetic parameters for the interaction between polypeptide hormones and cell-surface receptors in the perfused rat liver by the multiple-indicator dilution method

    International Nuclear Information System (INIS)

    Sato, H.; Sugiyama, Y.; Sawada, Y.; Iga, T.; Sakamoto, S.; Fuwa, T.; Hanano, M.

    1988-01-01

    Hepatic elimination of epidermal growth factor (EGF) via receptor-mediated endocytosis was studied by a multiple-indicator dilution method in the isolated perfused rat liver, in which cell polarity and spatial organization are maintained. In this method EGF was given with inulin, an extracellular reference, as a bolus into the portal vein, and dilution curves of both compounds in the hepatic vein effluent were analyzed. Analysis of the dilution curve for EGF, compared with that for somatostatin, which showed no specific binding to isolated liver plasma membranes, resulted as follows: (i) both extraction ratio and distribution volume of 125 I-labeled EGF decreased as the injected amount of unlabeled EGF increased; (ii) the ratio plot of the dilution curve for EGF exhibited an upward straight line initially for a short period of time, whereas the ratio plot of somatostatin gradually decreased. The multiple-indicator dilution method was used for other peptides also. Insulin and glucagon, known to have hepatocyte receptors, behaved similarly to EGF in shape of their ratio plots. The kinetic parameters calculated by this analysis were comparable with reported values obtained by in vitro direct binding measurements at equilibrium using liver homogenates. They conclude that the multiple-indicator dilution method is a good tool for analyzing the dynamics of peptide hormones-cell-surface receptor interaction under a condition in which spatial architecture of the liver is maintained

  7. Supplementation with Ca salts of soybean oil interacts with concentrate level in grazing dairy cows: intake, ingestive behavior, and ruminal parameters.

    Science.gov (United States)

    Macedo, Fernanda Lopes; Batistel, Fernanda; de Souza, Jonas; Chagas, Lucas Jado; Santos, Flávio Augusto Portela

    2016-12-01

    In this study, we investigated the associative effects of concentrate levels and Ca salts of soybean oil (CSSO) supplementation on performance and ruminal parameters of mid-lactation dairy cows grazing on tropical pasture. Twenty-four Jersey × Holstein cows were used in a randomized block design and assigned to four treatments arranged in a 2 × 2 factorial design. Factors evaluated were concentrate levels (low, 3 kg/day vs. high, 7 kg/day of concentrate) and CSSO supplementation (without CSSO vs. with 250 g CSSO cow/day). All cows grazed on elephant grass (Pennisetum purpureum cv. Cameroon) and received the supplemental treatments for a 90-day period. The high concentrate level decreased forage intake and grazing time. In addition, the high concentrate level increased rumen propionate concentration and microbial synthesis and tended to decrease ammonia-N compared with low concentrate level. The addition of CSSO tended to decrease valerate, isobutyrate, isovalerate, and microbial synthesis. In conclusion, feeding CSSO for mid lactating cows grazing on tropical pasture had negative effects on rumen function. In contrast, CSSO supplementation tended to interact with concentrate level and increased energy intake when fed at low concentrate level. Feeding the high level of concentrate was an effective strategy to increase energy intake and microbial synthesis and improve N utilization.

  8. 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.)

  9. International experience with the bundle behavior of fuel elements of sodium cooled reactors; derivation of a figure of merit for the judgement of fuel pin bundle parameters with respect to abrasion due to thermoelastic pin-pin interaction

    International Nuclear Information System (INIS)

    Toebbe, H.

    1987-10-01

    The report describes the status of experience with respect to the abrasion behavior of bundles in standard fuel elements and test elements with wire or grid spacing in the reactors Rapsodie fortissimo, Phenix, DFR, PFR, EBR-II, FFTF, JOYO and KNK II. With the help of simple considerations concerning thermoelastic pin-pin interactions a figure of merit is deduced from the different bundle parameters, which allows a comparative judgement of the parameters of different bundle concepts [de

  10. Equilibrium constant and nitrogen activity and the parameters of interaction eN(N), rN(N,Cr), rN(N,Mn) in high nitrogen steels of Fe-Cr-Mn-N type

    International Nuclear Information System (INIS)

    Svyazhin, A.G.; Siwka, J.; Rashev, T.

    1999-01-01

    In the paper a description of a thermodynamic of liquid solutions of Fe-Cr-Mn-N type with using a concept of parameters of an interaction has been presented. A temperature relationship of the equilibrium constant K N(Fe) and values of self interaction parameters e N (N) , r N (N,Cr) , r N (N,Mn) and t N (N,Cr,Cr) has been determined for mean values of temperatures of liquid metal equal 1990 K and 2090 K. By application of a theory of regular solutions those values were recalculated for a temperature 1873 K. (orig.)

  11. Mixed micelles of 7,12-dioxolithocholic acid and selected hydrophobic bile acids: interaction parameter, partition coefficient of nitrazepam and mixed micelles haemolytic potential.

    Science.gov (United States)

    Poša, Mihalj; Tepavčević, Vesna

    2011-09-01

    The formation of mixed micelles built of 7,12-dioxolithocholic and the following hydrophobic bile acids was examined by conductometric method: cholic (C), deoxycholic (D), chenodeoxycholic (CD), 12-oxolithocholic (12-oxoL), 7-oxolithocholic (7-oxoL), ursodeoxycholic (UD) and hiodeoxycholic (HD). Interaction parameter (β) in the studied binary mixed micelles had negative value, suggesting synergism between micelle building units. Based on β value, the hydrophobic bile acids formed two groups: group I (C, D and CD) and group II (12-oxoL, 7-oxoL, UD and HD). Bile acids from group II had more negative β values than bile acids from group I. Also, bile acids from group II formed intermolecular hydrogen bonds in aggregates with both smaller (2) and higher (4) aggregation numbers, according to the analysis of their stereochemical (conformational) structures and possible structures of mixed micelles built of these bile acids and 7,12-dioxolithocholic acid. Haemolytic potential and partition coefficient of nitrazepam were higher in mixed micelles built of the more hydrophobic bile acids (C, D, CD) and 7,12-dioxolithocholic acid than in micelles built only of 7,12-dioxolithocholic acid. On the other hand, these mixed micelles still had lower values of haemolytic potential than micelles built of C, D or CD. The mixed micelles that included bile acids: 12-oxoL, 7-oxoL, UD or HD did not significantly differ from the micelles of 7,12-dioxolithocholic acid, observing the values of their haemolytic potential. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Neuroimmune interactions in Sjögren's syndrome: relationship of exocrine gland dysfunction with autoantibodies to muscarinic acetylcholine receptor-3 and mental health status parameters.

    Science.gov (United States)

    Deák, Magdolna; Szvetnik, Attila; Balog, Attila; Sohár, Nicolette; Varga, Renáta; Pokorny, Gyula; Tóth, Gábor; Kiss, Mária; Kovács, László

    2013-01-01

    Antimuscarinic acetylcholine receptor-3 (m3AChR) autoantibodies have been described in primary Sjögren's syndrome (pSS). The aim of this study was to compare various methods for their detection and to assess the contributions of anti-m3AChR and other immunological and psychosocial factors to the pathomechanism of secondary SS (sSS). Sixty-five rheumatoid arthritis (RA) patients, 103 systemic lupus erythematosus (SLE) patients, 76 pSS patients and 50 controls were compared. Three immunodominant epitopes of m3AChR were synthesized and used in ELISA. Two extracellular epitopes were also prepared in fusion with glutathione-S-transferase and one in conjugation with bovine serum albumin. Mental health status was assessed with the 36-item Short-Form Health Survey and Functional Assessment of Chronic Illness Therapy fatigue scale. Correlations were evaluated between glandular function and anti-m3AChR positivities and specificities, features of SLE and RA, and mental health parameters. Fourteen RA and 27 SLE patients had sSS. The autoantibody levels to all epitopes of m3AChR were significantly higher in pSS and SLE patients than in the controls. The fusion protein forms discriminated RA from pSS and SLE; furthermore, the YNIP fusion protein also distinguished pSS from SLE. The prevalence and the mean levels of all autoantibodies did not differ statistically between sicca and non-sicca SLE or RA patients. Glandular dysfunction correlated with higher age in SLE and RA and an impaired health-related quality of life in SLE. The second and third extracellular loops of m3AChR are antigenic in pSS. Immunoassays with antigens as fusion peptides demonstrate the best performance. Sicca SLE patients have worse mental health status. Anti-m3AChR antibodies represent a peculiar example of neuroimmune interactions. Copyright © 2012 S. Karger AG, Basel.

  13. PSAIA – Protein Structure and Interaction Analyzer

    Directory of Open Access Journals (Sweden)

    Vlahoviček Kristian

    2008-04-01

    Full Text Available Abstract Background PSAIA (Protein Structure and Interaction Analyzer was developed to compute geometric parameters for large sets of protein structures in order to predict and investigate protein-protein interaction sites. Results In addition to most relevant established algorithms, PSAIA offers a new method PIADA (Protein Interaction Atom Distance Algorithm for the determination of residue interaction pairs. We found that PIADA produced more satisfactory results than comparable algorithms implemented in PSAIA. Particular advantages of PSAIA include its capacity to combine different methods to detect the locations and types of interactions between residues and its ability, without any further automation steps, to handle large numbers of protein structures and complexes. Generally, the integration of a variety of methods enables PSAIA to offer easier automation of analysis and greater reliability of results. PSAIA can be used either via a graphical user interface or from the command-line. Results are generated in either tabular or XML format. Conclusion In a straightforward fashion and for large sets of protein structures, PSAIA enables the calculation of protein geometric parameters and the determination of location and type for protein-protein interaction sites. XML formatted output enables easy conversion of results to various formats suitable for statistic analysis. Results from smaller data sets demonstrated the influence of geometry on protein interaction sites. Comprehensive analysis of properties of large data sets lead to new information useful in the prediction of protein-protein interaction sites.

  14. 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.

  15. 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

  16. Interaction of the alpha-toxin of Staphylococcus aureus with the liposome membrane.

    Science.gov (United States)

    Ikigai, H; Nakae, T

    1987-02-15

    When the liposome membrane is exposed to the alpha-toxin of Staphylococcus aureus, fluorescence of the tryptophan residue(s) of the toxin molecule increases concomitantly with the degree of toxin-hexamer formation (Ikigai, H., and Nakae, T. (1985) Biochem. Biophys. Res. Commun. 130, 175-181). In the present study, the toxin-membrane interaction was distinguished from the hexamer formation by the fluorescence energy transfer from the tryptophan residue(s) of the toxin molecule to the dansylated phosphatidylethanolamine in phosphatidylcholine liposome. Measurement of these two parameters yielded the following results. The effect of the toxin concentration and phospholipid concentration on these two parameters showed first order kinetics. The effect of liposome size on the energy transfer and the fluorescence increment of the tryptophan residue(s) was only detectable in small liposomes. Under moderately acidic or basic conditions, the fluorescence energy transfer always preceded the fluorescence increment of the tryptophan residue(s). The fluorescence increment at 336 nm at temperatures below 20 degrees C showed a latent period, whereas the fluorescence energy transfer did not. These results were thought to indicate that when alpha-toxin damages the target membrane, the molecule interacts with the membrane first, and then undergoes oligomerization within the membrane.

  17. Correction: β-Amyrin synthase from Euphorbia tirucalli L. functional analyses of the highly conserved aromatic residues Phe413, Tyr259 and Trp257 disclose the importance of the appropriate steric bulk, and cation-π and CH-π interactions for the efficient catalytic action of the polyolefin cyclization cascade.

    Science.gov (United States)

    Ito, Ryousuke; Nakada, Chika; Hoshino, Tsutomu

    2017-01-18

    Correction for 'β-Amyrin synthase from Euphorbia tirucalli L. functional analyses of the highly conserved aromatic residues Phe413, Tyr259 and Trp257 disclose the importance of the appropriate steric bulk, and cation-π and CH-π interactions for the efficient catalytic action of the polyolefin cyclization cascade' by Ryousuke Ito et al., Org. Biomol. Chem., 2017, 15, 177-188.

  18. 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.

  19. Parameter Estimation

    DEFF Research Database (Denmark)

    Sales-Cruz, Mauricio; Heitzig, Martina; Cameron, Ian

    2011-01-01

    of optimisation techniques coupled with dynamic solution of the underlying model. Linear and nonlinear approaches to parameter estimation are investigated. There is also the application of maximum likelihood principles in the estimation of parameters, as well as the use of orthogonal collocation to generate a set......In this chapter the importance of parameter estimation in model development is illustrated through various applications related to reaction systems. In particular, rate constants in a reaction system are obtained through parameter estimation methods. These approaches often require the application...... of algebraic equations as the basis for parameter estimation.These approaches are illustrated using estimations of kinetic constants from reaction system models....

  20. 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

  1. Effect of process variables on the Drucker-Prager cap model and residual stress distribution of tablets estimated by the finite element method.

    Science.gov (United States)

    Hayashi, Yoshihiro; Otoguro, Saori; Miura, Takahiro; Onuki, Yoshinori; Obata, Yasuko; Takayama, Kozo

    2014-01-01

    A multivariate statistical technique was applied to clarify the causal correlation between variables in the manufacturing process and the residual stress distribution of tablets. Theophylline tablets were prepared according to a Box-Behnken design using the wet granulation method. Water amounts (X1), kneading time (X2), lubricant-mixing time (X3), and compression force (X4) were selected as design variables. The Drucker-Prager cap (DPC) model was selected as the method for modeling the mechanical behavior of pharmaceutical powders. Simulation parameters, such as Young's modulus, Poisson rate, internal friction angle, plastic deformation parameters, and initial density of the powder, were measured. Multiple regression analysis demonstrated that the simulation parameters were significantly affected by process variables. The constructed DPC models were fed into the analysis using the finite element method (FEM), and the mechanical behavior of pharmaceutical powders during the tableting process was analyzed using the FEM. The results of this analysis revealed that the residual stress distribution of tablets increased with increasing X4. Moreover, an interaction between X2 and X3 also had an effect on shear and the x-axial residual stress of tablets. Bayesian network analysis revealed causal relationships between the process variables, simulation parameters, residual stress distribution, and pharmaceutical responses of tablets. These results demonstrated the potential of the FEM as a tool to help improve our understanding of the residual stress of tablets and to optimize process variables, which not only affect tablet characteristics, but also are risks of causing tableting problems.

  2. Hydrogen bond strengths in phosphorylated and sulfated amino acid residues.

    Directory of Open Access Journals (Sweden)

    Chaya Rapp

    Full Text Available Post-translational modification by the addition of an oxoanion functional group, usually a phosphate group and less commonly a sulfate group, leads to diverse structural and functional consequences in protein systems. Building upon previous studies of the phosphoserine residue (pSer, we address the distinct nature of hydrogen bonding interactions in phosphotyrosine (pTyr and sulfotyrosine (sTyr residues. We derive partial charges for these modified residues and then study them in the context of molecular dynamics simulation of model tripeptides and sulfated protein complexes, potentials of mean force for interacting residue pairs, and a survey of the interactions of modified residues among experimental protein structures. Overall, our findings show that for pTyr, bidentate interactions with Arg are particularly dominant, as has been previously demonstrated for pSer. sTyr interactions with Arg are significantly weaker, even as compared to the same interactions made by the Glu residue. Our work sheds light on the distinct nature of these modified tyrosine residues, and provides a physical-chemical foundation for future studies with the goal of understanding their roles in systems of biological interest.

  3. Studies of evaporation residue products from krypton and argon reactions

    International Nuclear Information System (INIS)

    Plasil, F.; Ferguson, R.L.; Britt, H.C.; Erkkila, B.H.; Blann, M.; Gutbrod, H.H.; California Univ., Berkeley

    1978-01-01

    Mass distributions of evaporation residue (ER) products from 86 Kr-bombardments of 70 Ge and 74 Ge have been obtained by a time-of-flight method at energies ranging from the interaction barrier to 706 MeV. ER excitation functions have also been obtained for a variety of target and projectile combinations. Results are compared with statistical model calculations and with results obtained from γ-measurements. It is deduced that at the lowest impact parameters, the reaction products belong to the ER group, in contrast with the angular momentum hypothesis of Lefort. Cross sections were found to be consistent with an angular momentum limit arising from the onset of fission. (orig.) [de

  4. The effect of pressure and quadrupolar interactions on the nematic-isotropic transition properties: Numerical results for a system of prolate ellipsoids including second and fourth rank orientational order parameters

    International Nuclear Information System (INIS)

    Singh, K.

    1992-10-01

    The theory of isotropic-nematic transition described in earlier papers is applied to investigate the influence of quadrupolar interactions and pressure on the stability, ordering and thermodynamic transition properties retaining second and fourth rank orientational order parameters in the calculation for a system of hard ellipsoids of revolution characterized by its length-to-width ratio (x 0 = 2a/2b). Results are in accordance with experimental observations. (author). 9 refs, 1 tab

  5. First-order exchange coefficient coupling for simulating surface water-groundwater interactions: Parameter sensitivity and consistency with a physics-based approach

    Science.gov (United States)

    Ebel, B.A.; Mirus, B.B.; Heppner, C.S.; VanderKwaak, J.E.; Loague, K.

    2009-01-01

    Distributed hydrologic models capable of simulating fully-coupled surface water and groundwater flow are increasingly used to examine problems in the hydrologic sciences. Several techniques are currently available to couple the surface and subsurface; the two most frequently employed approaches are first-order exchange coefficients (a.k.a., the surface conductance method) and enforced continuity of pressure and flux at the surface-subsurface boundary condition. The effort reported here examines the parameter sensitivity of simulated hydrologic response for the first-order exchange coefficients at a well-characterized field site using the fully coupled Integrated Hydrology Model (InHM). This investigation demonstrates that the first-order exchange coefficients can be selected such that the simulated hydrologic response is insensitive to the parameter choice, while simulation time is considerably reduced. Alternatively, the ability to choose a first-order exchange coefficient that intentionally decouples the surface and subsurface facilitates concept-development simulations to examine real-world situations where the surface-subsurface exchange is impaired. While the parameters comprising the first-order exchange coefficient cannot be directly estimated or measured, the insensitivity of the simulated flow system to these parameters (when chosen appropriately) combined with the ability to mimic actual physical processes suggests that the first-order exchange coefficient approach can be consistent with a physics-based framework. Copyright ?? 2009 John Wiley & Sons, Ltd.

  6. CHARACTERIZING RESIDUE TRANSFER EFFICIENCIES USING A FLUORESCENT IMAGING TECHNIQUE

    Science.gov (United States)

    To reduce the uncertainty associated with current estimates of children's exposure to pesticides by dermal contact and indirect ingestion, residue transfer data are required. Prior to conducting exhaustive studies, a screening study to identify the important parameters for chara...

  7. 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).

  8. Protein structure based prediction of catalytic residues.

    Science.gov (United States)

    Fajardo, J Eduardo; Fiser, Andras

    2013-02-22

    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. 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. 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 reference databases.

  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...... process. The structural relaxation is taken into account using Narayanaswamy’s model. The motiva-tion for this work is to study the effect of the reduction of the hole and edge minimum distances, which are defined according to EN 12150-1. It is the objective of the paper to demonstrate and elucidate...... 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. Effect of intruder mass on collisions with hard binaries. II - Dependence on impact parameter and computations of the interaction cross sections

    Science.gov (United States)

    Hills, J. G.

    1992-06-01

    Over 125,000 encounters between a hard binary with equal mass, components and orbital eccentricity of 0, and intruders with solar masses ranging from 0.01 to 10,000 are simulated. Each encounter was followed up to a maximum of 5 x 10 exp 6 integration steps to allow long-term 'resonances', temporary trinary systems, to break into a binary and a single star. These simulations were done over a range of impact parameters to find the cross sections for various processes occurring in these encounters. A critical impact parameter found in these simulations is the one beyond which no exchange collisions can occur. The energy exchange between the binary and a massive intruder decreases greatly in collisions with Rmin of not less than Rc. The semimajor axes and orbital eccentricity of the surviving binary also drops rapidly at Rc in encounters with massive intruders. The formation of temporary trinary systems is important for all intruder masses.

  11. 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

  12. Scanning number and brightness yields absolute protein concentrations in live cells: a crucial parameter controlling functional bio-molecular interaction networks.

    Science.gov (United States)

    Papini, Christina; Royer, Catherine A

    2018-02-01

    Biological function results from properly timed bio-molecular interactions that transduce external or internal signals, resulting in any number of cellular fates, including triggering of cell-state transitions (division, differentiation, transformation, apoptosis), metabolic homeostasis and adjustment to changing physical or nutritional environments, amongst many more. These bio-molecular interactions can be modulated by chemical modifications of proteins, nucleic acids, lipids and other small molecules. They can result in bio-molecular transport from one cellular compartment to the other and often trigger specific enzyme activities involved in bio-molecular synthesis, modification or degradation. Clearly, a mechanistic understanding of any given high level biological function requires a quantitative characterization of the principal bio-molecular interactions involved and how these may change dynamically. Such information can be obtained using fluctation analysis, in particular scanning number and brightness, and used to build and test mechanistic models of the functional network to define which characteristics are the most important for its regulation.

  13. Solar degradation of diclofenac using Eosin-Y-activated TiO2: cost estimation, process optimization and parameter interaction study.

    Science.gov (United States)

    Hashim, Noshin; Thakur, Shaila; Patang, Mouska; Crapulli, Ferdinando; Ray, Ajay K

    2017-04-01

    Diclofenac (DCF), a widely used non-steroidal anti-inflammatory drug, is a commonly detected substance that readily accumulates in tissues of aquatic fish and poses a threat to wildlife and freshwater quality. Advanced Oxidation Processes have been employed as an alternative due to the inadequacy of conventional treatment methods of trace contaminants. This study utilized an innovative method of solar-activation of TiO 2 using Eosin-Y dye for the degradation of DCF. Furthermore, the study incorporated a central composite design (CCD) to optimize the dye concentration and estimated the cost for the present process. Optimized parameters for light intensity (750 mW/cm 2 ), Eosin-Y dye concentration (2 mg/L), TiO 2 loading (37.5 mg/cm 2 ) and DCF concentration (25 mg/L) were determined through a CCD. The optimized parameters convey a DCF degradation rate of 40% and 49% for 2 ppm (low range) and 4 ppm (high range) dye concentrations, respectively, for a 5-minute reaction time. Cost estimation for the materials used was for the current process was also performed. It was determined that the additional cost of using 4 ppm instead of 2 ppm to achieve only 10% more DCF degradation is not warranted and would require additional treatment to remove subsequently formed halogenated compounds.

  14. Measurement of the beta-asymmetry parameter of Cu-67 in search for tensor-type currents in the weak interaction

    OpenAIRE

    Soti, Gergely; Breitenfeldt, Martin; Finlay, Paul; Herzog, P; Knecht, Andreas; Koester, U; Kraev, I. S; Porobic, Tomica; Prashanth, P. N; Towner, I. S; Tramm, C; Zakoucky, D; Severijns, Nathal; Wauters, F

    2014-01-01

    The experimental value, ˜A = 0.587(14), is in agreement with the standard model value of 0.5991(2) and is interpreted in terms of physics beyond the standard model. The limits obtained on possible tensor-type charged currents in the weak interaction Hamiltonian are −0.045 < (C_T + C'_T)/CA < 0.159 (90% C.L.). The obtained limits are comparable to limits from other correlation measurements in nuclear β decay and contribute to further constraining tensor coupling constants.

  15. Evaluation of residue-residue contact predictions in CASP9

    KAUST Repository

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

    2011-01-01

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

  16. Tyrosine residues modification studied by MALDI-TOF mass spectrometry

    International Nuclear Information System (INIS)

    Santrucek, Jiri; Strohalm, Martin; Kadlcik, Vojtech; Hynek, Radovan; Kodicek, Milan

    2004-01-01

    Amino acid residue-specific reactivity in proteins is of great current interest in structural biology as it provides information about solvent accessibility and reactivity of the residue and, consequently, about protein structure and possible interactions. In the work presented tyrosine residues of three model proteins with known spatial structure are modified with two tyrosine-specific reagents: tetranitromethane and iodine. Modified proteins were specifically digested by proteases and the mass of resulting peptide fragments was determined using matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. Our results show that there are only small differences in the extent of tyrosine residues modification by tetranitromethane and iodine. However, data dealing with accessibility of reactive residues obtained by chemical modifications are not completely identical with those obtained by nuclear magnetic resonance and X-ray crystallography. These interesting discrepancies can be caused by local molecular dynamics and/or by specific chemical structure of the residues surrounding

  17. Inventory parameters

    CERN Document Server

    Sharma, Sanjay

    2017-01-01

    This book provides a detailed overview of various parameters/factors involved in inventory analysis. It especially focuses on the assessment and modeling of basic inventory parameters, namely demand, procurement cost, cycle time, ordering cost, inventory carrying cost, inventory stock, stock out level, and stock out cost. In the context of economic lot size, it provides equations related to the optimum values. It also discusses why the optimum lot size and optimum total relevant cost are considered to be key decision variables, and uses numerous examples to explain each of these inventory parameters separately. Lastly, it provides detailed information on parameter estimation for different sectors/products. Written in a simple and lucid style, it offers a valuable resource for a broad readership, especially Master of Business Administration (MBA) students.

  18. 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...... for policy makers and courts in awarding damages in a large number of real-world accident cases....

  19. Interactions of a didomain fragment of the Drosophila Sex-lethal protein with single-stranded uridine-rich oligoribonucleotides derived from the transformer and Sex-lethal messenger RNA precursors: NMR with residue-selective [5-2H]uridine substitutions

    International Nuclear Information System (INIS)

    Kim, Insil; Muto, Yutaka; Watanabe, Satoru; Kitamura, Aya; Futamura, Yasuhiro; Yokoyama, Shigeyuki; Hosono, Kazumi; Kawai, Gota; Takaku, Hiroshi; Dohmae, Naoshi; Takio, Koji; Sakamoto, Hiroshi; Shimura, Yoshiro

    2000-01-01

    Proteins that contain two or more copies of the RNA-binding domain [ribonucleoprotein (RNP) domain or RNA recognition motif (RRM)] are considered to be involved in the recognition of single-stranded RNA, but the mechanisms of this recognition are poorly understood at the molecular level. For an NMR analysis of a single-stranded RNA complexed with a multi-RBD protein, residue-selective stable-isotope labeling techniques are necessary, rather than common assignment methods based on the secondary structure of RNA. In the present study, we analyzed the interaction of a Drosophila Sex-lethal (Sxl) protein fragment, consisting of two RBDs (RBD1-RBD2), with two distinct target RNAs derived from the tra and Sxl mRNA precursors with guanosine and adenosine, respectively, in a position near the 5'-terminus of a uridine stretch. First, we prepared a [5- 2 H]uridine phosphoramidite, and synthesized a series of 2 H-labeled RNAs, in which all of the uridine residues except one were replaced by [5- 2 H]uridine in the target sequence, GU 8 C. By observing the H5-H6 TOCSY cross peaks of the series of 2 H-labeled RNAs complexed with the Sxl RBD1-RBD2, all of the base H5-H6 proton resonances of the target RNA were unambiguously assigned. Then, the H5-H6 cross peaks of other target RNAs, GU 2 GU 8 , AU 8 , and UAU 8 , were assigned by comparison with those of GU 8 C. We found that the uridine residue prior to the G or A residue is essential for proper interaction with the protein, and that the interaction is tighter for A than for G. Moreover, the H1' resonance assignments were achieved from the H5-H6 assignments. The results revealed that all of the protein-bound nucleotide residues, except for only two, are in the unusual C2'-endo ribose conformation in the complex

  20. Interactions of a didomain fragment of the Drosophila Sex-lethal protein with single-stranded uridine-rich oligoribonucleotides derived from the transformer and Sex-lethal messenger RNA precursors: NMR with residue-selective [5-2H]uridine substitutions

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Insil; Muto, Yutaka; Watanabe, Satoru; Kitamura, Aya; Futamura, Yasuhiro; Yokoyama, Shigeyuki [University of Tokyo, Department of Biophysics and Biochemistry, Graduate School of Science (Japan); Hosono, Kazumi; Kawai, Gota; Takaku, Hiroshi [Chiba Institute of Technology, Department of Industrial Chemistry (Japan); Dohmae, Naoshi; Takio, Koji [Institute of Physical and Chemical Research (RIKEN) (Japan); Sakamoto, Hiroshi [Kobe University, Department of Biology, Faculty of Science (Japan); Shimura, Yoshiro [Biomolecular Engineering Research Institute (Japan)

    2000-06-15

    Proteins that contain two or more copies of the RNA-binding domain [ribonucleoprotein (RNP) domain or RNA recognition motif (RRM)] are considered to be involved in the recognition of single-stranded RNA, but the mechanisms of this recognition are poorly understood at the molecular level. For an NMR analysis of a single-stranded RNA complexed with a multi-RBD protein, residue-selective stable-isotope labeling techniques are necessary, rather than common assignment methods based on the secondary structure of RNA. In the present study, we analyzed the interaction of a Drosophila Sex-lethal (Sxl) protein fragment, consisting of two RBDs (RBD1-RBD2), with two distinct target RNAs derived from the tra and Sxl mRNA precursors with guanosine and adenosine, respectively, in a position near the 5'-terminus of a uridine stretch. First, we prepared a [5-{sup 2}H]uridine phosphoramidite, and synthesized a series of {sup 2}H-labeled RNAs, in which all of the uridine residues except one were replaced by [5-{sup 2}H]uridine in the target sequence, GU{sub 8}C. By observing the H5-H6 TOCSY cross peaks of the series of {sup 2}H-labeled RNAs complexed with the Sxl RBD1-RBD2, all of the base H5-H6 proton resonances of the target RNA were unambiguously assigned. Then, the H5-H6 cross peaks of other target RNAs, GU{sub 2}GU{sub 8}, AU{sub 8}, and UAU{sub 8}, were assigned by comparison with those of GU{sub 8}C. We found that the uridine residue prior to the G or A residue is essential for proper interaction with the protein, and that the interaction is tighter for A than for G. Moreover, the H1' resonance assignments were achieved from the H5-H6 assignments. The results revealed that all of the protein-bound nucleotide residues, except for only two, are in the unusual C2'-endo ribose conformation in the complex.

  1. Pyrolysis of olive residue/low density polyethylene mixture:Part I Thermogravimetric kinetics

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    This paper demonstrates the thermal pyrolysis of olive residue, low density polyethylene (LDPE) and olive residue/LDPE mixture in an inert atmosphere of N2 using thermogravimetric analysis (TGA). Measurements were carried out in the temperature range 300K~973K at heating rates of 2K/min, 10K/min, 20K/min and 50K/min. Based on the results obtained, three temperature regimes were selected for studying the non-isothermal kinetics of olive residue/LDPE mixture. The first two were dominated by the olive residue pyrolysis, while the third was linked to the LDPE pyrolysis, which occurred at much higher temperatures. Discrepancies between the experimental and calculated TG/DTG profiles were considered as a measurement of the extent of interactions occurring on co-pyrolysis. The maximum degradation temperatures of each component in the mixture were higher than those the individual components;thus an increase in thermal stability was expected. The kinetic parameters associated with thermal degradation were determined using Friedman isoconversional method.

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

    Science.gov (United States)

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

    2007-09-01

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

  3. Semi-empirical correlation for binary interaction parameters of the Peng–Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor–liquid equilibrium

    Directory of Open Access Journals (Sweden)

    Seif-Eddeen K. Fateen

    2013-03-01

    Full Text Available Peng–Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij. In this work, we developed a semi-empirical correlation for kij partly based on the Huron–Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation.

  4. Semi-empirical correlation for binary interaction parameters of the Peng-Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor-liquid equilibrium.

    Science.gov (United States)

    Fateen, Seif-Eddeen K; Khalil, Menna M; Elnabawy, Ahmed O

    2013-03-01

    Peng-Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij . In this work, we developed a semi-empirical correlation for kij partly based on the Huron-Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation.

  5. Fluid-Rock Characterization and Interactions in NMR Well Logging

    Energy Technology Data Exchange (ETDEWEB)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions which are needed for formation evaluation by NMR well logging. NMR well logging is finding wide use in formation evaluation. The formation parameters commonly estimated were porosity, permeability, and capillary bound water. Special cases include estimation of oil viscosity, residual oil saturation, location of oil/water contact, and interpretation on whether the hydrocarbon is oil or gas.

  6. Process parameters-weld bead geometry interactions and their influence on mechanical properties: A case of dissimilar aluminium alloy electron beam welds

    Directory of Open Access Journals (Sweden)

    P. Mastanaiah

    2018-04-01

    Full Text Available Prediction of weld bead geometry is always an interesting and challenging research topic as it involves understanding of complex multi input and multi output system. The weld bead geometry has a profound impact on the load bearing capability of a weld joint, which in-turn decides the performance in real time service conditions. The present study introduces a novel approach of detecting a relationship between weld bead geometry and mechanical properties (e.g. tensile load for the purpose of catering the best the process could offer. The significance of the proposed approach is demonstrated by a case of dissimilar aluminium alloy (AA2219 and AA5083 electron beam welds. A mathematical model of tensile braking load as a function of geometrical attributes of weld bead geometry is presented. The results of investigation suggests the effective thickness of weld – a geometric parameter of weld bead has the most significant influence on tensile breaking load of dissimilar weld joint. The observations on bead geometry and the mechanical properties (microhardness, ultimate tensile load and face bend angle are correlated with detailed metallurgical analysis. The fusion zone of dissimilar electron beam weld has finer grain size with a moderate evaporation and segregation of alloying elements magnesium and copper respectively. The mechanical properties of weld joint are controlled by optimum bead geometry and HAZ softening in weaker AA5083 Al alloy. Keywords: Electron beam welding, AA2219, AA5083, Bead geometry, Tensile breaking load

  7. Investigation of the effect of laser parameters on the target, plume and plasma behavior during and after laser-solid interaction

    Science.gov (United States)

    Stancalie, A.; Ciobanu, S. S.; Sporea, D.

    2017-09-01

    A detailed theoretical and experimental analysis is performed for a wide range of laser operating conditions, typical for laser induced breakdown spectroscopy (LIBS) and laser ablation (LA) experiments on copper metallic target. The plasma parameters were experimentally estimated from the line intensities ratio which reflects the relative population of neutral excited species in the plasma. In the case of LA experiments the highest temperature observed was 8210 ± 370 K. In case of LIBS measurements, a maximum temperature of 8123 K has been determined. The experimental results are in good agreement with a stationary, hydrodynamic model. We have theoretically investigated the plasma emission based on the generalized collisional-radiative model as implemented in the ADAS interconnected set of computer codes and data collections. The ionic population density distribution over the ground and excited states into the cooper plasma is graphically displayed as output from the code. The theoretical line intensity ratios are in good agreement with experimental values for the electron density and temperature range measured in our experiments.

  8. Expected savings from the relaxation of the limits on some fuel parameters for an HTR tubular interacting fuel element of fixed geometry

    Energy Technology Data Exchange (ETDEWEB)

    Graziani, [EURATOM, Ispra (Italy); Trauwaert, [Belgonucleaire (Belgium)

    1971-06-16

    This note presents some preliminary results of a recent work performed jointly by EURATOM (CCR Ispra) and BELGONUCLEAIRE. The analysis of the results is still in progress and a more comprehensive presentation will be made later. The purpose of the study was the evaluation of the savings in fuel cycle cost which could result from the relaxation of the limits on some fuels parameters - heavy metal loading, burnup and age factor - while keeping unchanged the geometry of the fuel element and that of the reactor. Within the range considered and the economic assumptions used, the most obvious saving which can be obtained from the increase of one of the limits seems that made possible by the increase of heavy metal loading. This saving is 2% in fuel cycle cost without any change in resonance integral and 4.5% with a reduction of 10% in resonance integral. An increase of the admissible burnup is also very rewarding, provided the resonance integral can be increased in order to keep the age factor down to 1.085.

  9. Machine for compacting solid residues

    International Nuclear Information System (INIS)

    Herzog, J.

    1981-11-01

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

  10. Determination of experimental parameters for evaluating the release of contaminants and their interaction with the environment at a waste disposal site

    International Nuclear Information System (INIS)

    Balzamo, S.; De Angelis, G.; Marchetti, A.

    1991-01-01

    A research programme has been undertaken at ENEA with the financial support of the Ministry for the Environment in the aim at evaluating the environmental impact of hazardous waste disposal. Experimental tests have been carried out in order to obtain a series of data on which models for the prediction of future contamination are based, in the frame of such programme. The release of toxic elements from solidified wastes, as well as the release mechanisms, were evaluated. The interaction between conditioned wastes and soil was assessed in laboratory, scale with the help of lysimeters using siliceous sand or natural pozzolan as simulants of ground soil. Moreover the relative mobility of different cation travelling through the soil was determined by measuring the linear distribution coefficient. Finally the permeabilities of both conditioned waste (k w ) and backfill material (k b ) were taken into account and related to each other. Due to the strict relationship existing between water permeability and cement capillary pores, measurement of cement porosity by Mercury intrusion porosimetry were also performed. The general conclusion of the research work was the validity of the data obtained needs to be confirmed by on site tests. (au)

  11. Influence of environmental parameters and of their interactions on the release of metal(loid)s from a construction material in hydraulic engineering.

    Science.gov (United States)

    Schmukat, A; Duester, L; Goryunova, E; Ecker, D; Heininger, P; Ternes, T A

    2016-03-05

    Besides the leaching behaviour of a construction material under standardised test-specific conditions with laboratory water, for some construction materials it is advisable to test their environmental behaviour also under close to end use conditions. The envisaged end use combined with the product characteristics (e.g. mineral phases) is decisive for the choice of environmental factors that may change the release of substance that potentially cause adverse environmental effects (e.g. fertilisation or ecotoxicity). At the moment an experimental link is missing between mono-factorial standardised test systems and non standardised complex incubation experiments such as mesocosms which are closer to environmental conditions. Multi-factorial batch experiments may have the potential to close the gap. To verify this, batch experiments with copper slag were performed which is used as armour stones in hydraulic engineering. Design of experiments (DoE) was applied to evaluate the impact of pH, ionic strength, temperature and sediment content on the release of As, Cu, Mo, Ni, Pb, Sb and Zn. The study shows that release and sediment-eluent partitioning of metal(loid)s are impacted by interactions between the studied factors. Under the prevalent test conditions sediment acts as a sink enhancing most strongly the release of elements from the material. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. 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.

  13. Fundamentals of a moderate thermocracking-deep deasphalting combined process of Karamay vacuum residue

    Energy Technology Data Exchange (ETDEWEB)

    Zhiming, X; Tonghua, L.; Suogi, Z.; Renan, W. [University of Petroleum, State Key Laboratory of Heavy Oil Processing, Beijing (China); Lailong, L.; Zhen, L. [Karamay Petrochemical Company, Petrochemical Research Institute, Karamay (China)

    2004-07-01

    Thermocracking of heavy oil vacuum residue was carried out to determine the optimum conditions for the thermal cracking of Karamay vacuum residue prior to coke formation. The vacuum residue and the cracked residue after distillation were separated using supercritical fluid extraction and fractionation techniques. Sixteen and thirteen fractions and non-extractable end cuts respectively were separated, and their properties, compositions and average structures determined. Solubility parameters of the end cuts were measured, and those of the fractions calculated. The solubility parameter of the end cut of distilled residue was found to have greatly increased. It was determined that when the difference of the end cut and the extractable fractions amounts to 6.37MPa1/2, in the case of Karamay vacuum residue coke will deposit under thermocracking conditions. Based on the results of a series of solvent deep deasphalting experiments, a scheme for vacuum residue thermocracking and deasphalting of the cracked residue was proposed.

  14. DCE-MRI-Derived Parameters in Evaluating Abraxane-Induced Early Vascular Response and the Effectiveness of Its Synergistic Interaction with Cisplatin.

    Directory of Open Access Journals (Sweden)

    Xilin Sun

    Full Text Available Our previous studies revealed molecular alterations of tumor vessels, varying from immature to mature alterations, resulting from Abraxane, and demonstrated that the integrin-specific PET tracer 18F-FPPRGD2 can be used to noninvasively monitor such changes. However, changes in the tumor vasculature at functional levels such as perfusion and permeability are also important for monitoring Abraxane treatment outcomes in patients with cancer. The purpose of this study is to further investigate the vascular response during Abraxane therapy and the effectiveness of its synergistic interaction with cisplatin using Dynamic contrast enhanced-magnetic resonance imaging (DCE-MRI. Thirty MDA-MB-435 tumor mice were randomized into three groups: PBS control (C group, Abraxane only (A group, and sequential treatment with Abraxane followed by cisplatin (A-P group. Tumor volume was monitored based on caliper measurements. A DCE-MRI protocol was performed at baseline and day 3. The Ktrans, Kep and Ve were calculated and compared with CD31, α-SMA, and Ki67 histology data. Sequential treatment with Abraxane followed by cisplatin produced a significantly greater inhibition of tumor growth during the three weeks of the observation period. Decreases in Ktrans and Kep for the A and A-P groups were observed on day 3. Immunohistological staining suggested vascular remodeling during the Abraxane therapy. The changes in Ktrans and Kep values were correlated with alterations in the permeability of the tumor vasculature induced by the Abraxane treatment. In conclusion, Abraxane-mediated permeability variations in tumor vasculature can be quantitatively visualized by DCE-MRI, making this a useful method for studying the effects of early cancer treatment, especially the early vascular response. Vascular remodeling by Abraxane improves the efficiency of cisplatin delivery and thus results in a favorable treatment outcome.

  15. 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...

  16. Isobaric yields and radiochemistry of near-target residues in the interaction of 12C and 16O with 103Rh at an incident energy of 400 MeV

    International Nuclear Information System (INIS)

    Buthelezi, E.Z.; Steyn, G.F.; Walt, T.N. Van der; Aardaneh, K.; Gadioli, E.; Albertini, F.; Cerutti, F.; Connell, S.H.; Cowley, A.A.; Nortier, F.M.

    2003-01-01

    Production cross sections of residues with mass near to that of the target were measured in 12 C and 16 O induced reactions on Rh at an incident energy of 400 MeV. An ion-exchange method has been developed for the separation of Rh, Pd and Ag nuclides from all other produced activities. Rh and Ag nuclides were separated from elements such as Pd, Ru, and Tc, amongst others, on an AG1-X8 anion exchange resin in 6M HCl. The Ag nuclides were then removed from the effluent using a precipitation technique so that only Rh remained in the final solution. The Pd was afterwards separated from Ru and Tc by eluting it from the resin with 5% ammonia solution. This procedure made it possible to accurately measure production cross sections for 103m Rh and 103 Pd. Cross sections for the production of various other observed residues are also presented. The results are consistent with an enhanced isobaric yield in the near-target mass region. The radiochemical separation technique is also suitable for the routine production of Pd and Rh nuclides, e.g., 103 Pd and 101m Rh, in proton-induced reactions on Rh targets. (author)

  17. Pulsar timing residuals due to individual non-evolving gravitational wave sources

    International Nuclear Information System (INIS)

    Tong Ming-Lei; Zhao Cheng-Shi; Yan Bao-Rong; Yang Ting-Gao; Gao Yu-Ping

    2014-01-01

    The pulsar timing residuals induced by gravitational waves from non-evolving single binary sources are affected by many parameters related to the relative positions of the pulsar and the gravitational wave sources. We will analyze the various effects due to different parameters. The standard deviations of the timing residuals will be calculated with a variable parameter fixing a set of other parameters. The orbits of the binary sources will be generally assumed to be elliptical. The influences of different eccentricities on the pulsar timing residuals will also be studied in detail. We find that the effects of the related parameters are quite different, and some of them display certain regularities

  18. Microclimatic Parameters

    DEFF Research Database (Denmark)

    Kragh, Mikkel Kristian; Svendsen, Sv Aa Højgaard

    1996-01-01

    Review paper dealing with the outspoken need for models describing the microclimate at the exterior of the building envelope. In building physics, detailed hygrothermal calculations are performed on the basis of meteorological data, not considering the complex interaction with specific features o...... of the proposed building and its surroundings. KEYWORDS: Microclimate, moisture balance, driving rain, condensation, convection, recommendations for further studies....

  19. 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)

  20. On the residual stress modeling of shot-peened AISI 4340 steel: finite element and response surface methods

    Science.gov (United States)

    Asgari, Ali; Dehestani, Pouya; Poruraminaie, Iman

    2018-02-01

    Shot peening is a well-known process in applying the residual stress on the surface of industrial parts. The induced residual stress improves fatigue life. In this study, the effects of shot peening parameters such as shot diameter, shot speed, friction coefficient, and the number of impacts on the applied residual stress will be evaluated. To assess these parameters effect, firstly the shot peening process has been simulated by finite element method. Then, effects of the process parameters on the residual stress have been evaluated by response surface method as a statistical approach. Finally, a strong model is presented to predict the maximum residual stress induced by shot peening process in AISI 4340 steel. Also, the optimum parameters for the maximum residual stress are achieved. The results indicate that effect of shot diameter on the induced residual stress is increased by increasing the shot speed. Also, enhancing the friction coefficient magnitude always cannot lead to increase in the residual stress.

  1. [Effect of stress actions on some hematologic and biochemical parameters of rat blood and on energetic intermolecular interactions in lipid extract under effect of light radiation].

    Science.gov (United States)

    Zabelinskiĭ, S A; Chebotareva, M A; Tavrovskaia, T V; Skverchinskaia, E A; Shukoliukova, E P; Maslov, M N; Krivchenko, A I

    2012-01-01

    Comparative study has been carried of effect of the three-day long starvation, running, and their combination on morphological parameters of rat blood, lipid metabolism, and activity of blood Na,K-ATPase. Different effect has been shown of these stress factors on the blood erythrocyte composition. Starvation is accompanied by the most pronounced release of stored erythrocyte into blood, which results in a significant decrease both of the total amount of reticulocytes and the complete absence of reticulocytes of the I stage of maturity (the youngest). The running on treadmill led to a significant increase of the total amount of blood reticulocytes and to multiple increase of immature reticulocytes (RC-I and RC-II), which can indicate some stress of the bone marrow erythroid stem line. The curve of acid resistance of blood reticulocytes has shown the animal to experience the greatest stress at a combination of starvation and running. Starvation and running produced different effects on blood lipid characteristics. The content of triacylglycerides (TAG) in blood rose by 40% at starvation and decreased by 30% at running, a similar tendency being found for index of atherogeneity. The fatty acid composition of blood phospholipids at running and its combination with starvation practically did not differ from control. A change of Na,K-ATPase, which is so characteristic of reaction to various kinds of stress, sharply fell at starvation (by 22%), but increased at running (by 13%) and decreased markedly at combination of these actions. Absorption spectra of lipid extracts of the whole blood of the rats submitted to various stress actions showed that extracted from blood (at different amount depending on the kind of action) is an organic substance with coupled bonds, which absorbs light in the diapason of 360-620 nm. The absorption of light in the diapason of 400-410 nm has been found to belong to the Soret band of ferroheme and ferriheme. The shift of the Soret band indicates

  2. Bomb parameters

    International Nuclear Information System (INIS)

    Kerr, George D.; Young, Rebert W.; Cullings, Harry M.; Christry, Robert F.

    2005-01-01

    The reconstruction of neutron and gamma-ray doses at Hiroshima and Nagasaki begins with a determination of the parameters describing the explosion. The calculations of the air transported radiation fields and survivor doses from the Hiroshima and Nagasaki bombs require knowledge of a variety of parameters related to the explosions. These various parameters include the heading of the bomber when the bomb was released, the epicenters of the explosions, the bomb yields, and the tilt of the bombs at time of explosion. The epicenter of a bomb is the explosion point in air that is specified in terms of a burst height and a hypocenter (or the point on the ground directly below the epicenter of the explosion). The current reassessment refines the energy yield and burst height for the Hiroshima bomb, as well as the locations of the Hiroshima and Nagasaki hypocenters on the modern city maps used in the analysis of the activation data for neutrons and TLD data for gamma rays. (J.P.N.)

  3. A proposed residual stress model for oblique turning

    International Nuclear Information System (INIS)

    Elkhabeery, M. M.

    2001-01-01

    A proposed mathematical model is presented for predicting the residual stresses caused by turning. Effects of change in tool free length, cutting speed, feed rate, and the tensile strength of work piece material on the maximum residual stress are investigated. The residual stress distribution in the surface region due to turning under unlubricated condition is determined using a deflection etching technique. To reduce the number of experiments required and build the mathematical model for these variables, Response Surface Methodology (RSM) is used. In addition, variance analysis and an experimental check are conducted to determine the prominent parameters and the adequacy of the model. The results show that the tensile stress of the work piece material, cutting speed, and feed rate have significant effects on the maximum residual stresses. The proposed model, that offering good correlation between the experimental and predicted results, is useful in selecting suitable cutting parameters for the machining of different materials. (author)

  4. 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

  5. Effective interactions

    International Nuclear Information System (INIS)

    Elliott, J.P.

    1981-01-01

    This chapter attempts to describe and compare some of the more important nucleon-nucleon interactions that have been used in nuclear structure calculations, and to relate them where possible to the real nucleon-nucleon interaction. Explains that different interactions have been used depending on whether one is fitting to total binding energies and densities with a Hartree Fock (HF) calculation or fitting to spectra and spectroscopic data in a shell model calculation. Examines both types of calculation after two preliminary sections concerned with notation and with the philosophy underlying the use of model spaces and effective interactions. Discusses Skyrme interactions, finite range interactions, small model space, large model space, and the Sussex potential matrix elements. Focuses on the more empirical approaches in which a simple form is chosen for the effective interaction in a given model space and the parameters are deduced from fitting many-body data

  6. An Additive-Multiplicative Restricted Mean Residual Life Model

    DEFF Research Database (Denmark)

    Mansourvar, Zahra; Martinussen, Torben; Scheike, Thomas H.

    2016-01-01

    mean residual life model to study the association between the restricted mean residual life function and potential regression covariates in the presence of right censoring. This model extends the proportional mean residual life model using an additive model as its covariate dependent baseline....... For the suggested model, some covariate effects are allowed to be time-varying. To estimate the model parameters, martingale estimating equations are developed, and the large sample properties of the resulting estimators are established. In addition, to assess the adequacy of the model, we investigate a goodness...

  7. Embrittling effects of residual elements on steels

    International Nuclear Information System (INIS)

    Brear, J.M.; King, B.L.

    1979-01-01

    In a review of work related to reheat cracking in nuclear pressure vessel steels, Dhooge et al referred to work of the authors on the relative embrittling parameter for SA533B steels. The poor agreement when these parameters were applied to creep ductility data for SA508 class 2 lead the reviewers to conclude that the relative importance of impurity elements is a function of base alloy composition. The authors briefly describe some of their more recent work which demonstrates that when various mechanical, and other, effects are taken into consideration, the relative effects of the principal residual elements are similar, despite differing base compositions, and that the embrittling parameters derived correlate well with the data for SA Class 2 steel. (U.K.)

  8. Order parameters in smectic liquid crystals

    International Nuclear Information System (INIS)

    Beldon, Stephen M.

    2001-01-01

    This thesis explores some of the important mechanisms for switching in smectic liquid crystals. It is mainly concerned with the interaction of the electric field and various order parameters in smectic phases. Distortion of these order parameters and also the layer structures associated with smectics are discussed in depth. Initial work is concentrated on the electroclinic effect of commercially available FLC mixtures, where experimental results suggest the presence of non-uniformity in the molecular director profile. Two possible models are suggested assuming a variation of the order parameter θ through the cell. The first model assumes that the smectic layers remain bookshelf-like, and the second that the layers tilt in a vertical chevron structure when a cone angle is induced electroclinically or otherwise. The latter model is the first 'order parameter' model of an electric field induced vertical chevron. The presence of non-uniformity in the director profile is sensed by a method similar to wavelength extinction spectroscopy. Investigations are undertaken on racemic smectic materials with high dielectric biaxiality. Modelling of such a material reveals a new electroclinic effect which shows a discrete second order phase transition on application of a field. It is suggested that a bistable electroclinic effect stabilised with a high frequency ac field may be realised if a residual polarisation is present in the high biaxiality material, and that this might be useful in the displays industry. Experimental investigations of such a material confirm the above effects close to the smectic A-C transition. Finally a higher order smectic phase, the smectic I* phase, is considered. The distortion of the hexagonal bond orientational order is investigated experimentally during application of an electric field. The first dynamic model of the switching process is presented, showing good agreement with the experimental results. It is suggested that the bond orientational

  9. 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.

  10. [E75, R78 and D82 of Escherichia coli FtsZ are key residues for FtsZ cellular self-assembly and FtsZ-MreB interaction].

    Science.gov (United States)

    Huo, Yujia; Lu, Qiaonan; Zheng, Xiaowei; Ma, Yuanfang; Lu, Feng

    2016-02-04

    To explore effects of FtsZ mutants FtsZ(E75A), FtsZ(R78G) and FtsZ(D82A) on FtsZ self-assembly and interaction of FtsZ with MreB in Escherichia coli strains. METHODS) We constructed FtsZ and its mutant's plasmids by molecular clone and site-directed mutagenesis methods, and purified targeted proteins by affinity chromatography. QN6(ftsZ::yfp-cat), QN7(tsZ::yfp-cat), QN8(ftsZ(R78G)::yfp-cat) and QN9 (ftsZ(D82A):.:yfp-cat) strains were constructed by linear DNA homologous recombination. We observed cellular localization pattern of FtsZ and its mutants in E. coli by living cell imaging experiments, examined interaction of FtsZ/FtsZ*-FtsZ* and FtsZ/FtsZ*-MreB by Coimmunoprecipitation and bacteria two hybrid, and analyzed assembly characteristics of FtsZ mutants by Light scattering. RESULTS) The Yfp-labeled FtsZ(E75A), FtsZ(R78G) and FtsZ(D82A) mutant proteins failed to assemble into functional Z-ring structure and localize correctly in E. coli strains. Interaction of FtsZ with its mutants, or FtsZ*-FtsZ* and FtsZ*-MreB interaction were weakened or completely disappeared. In addition, in vitro experiments show that E75A, R78G and D82A mutations decreased the polymerization efficiency of FtsZ monomer. FtsZ E75, R78 and D82 are critical amino acids in the assembly, function of FtsZ protein and FtsZ-MreB interaction in E. coli strains.

  11. 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.

  12. ACTIVATION PARAMETERS AND EXCESS THERMODYANAMIC ...

    African Journals Online (AJOL)

    Applying these data, viscosity-B-coefficients, activation parameters (Δμ10≠) and (Δμ20≠) and excess thermodynamic functions, viz., excess molar volume (VE), excess viscosity, ηE and excess molar free energy of activation of flow, (GE) were calculated. The value of interaction parameter, d, of Grunberg and Nissan ...

  13. Phenomenological analysis of the Δ resonance parameters

    International Nuclear Information System (INIS)

    Vasan, S.S.

    1976-01-01

    The positions of the poles in the complex energy plane corresponding to the resonances Δ ++ and Δ 0 , and the associated residues, are determined by fitting the π + p and π - p hadronic phase shift data from the CARTER 73 analysis. As an illustration of the use of the Δ pole parameters, their application to the problem of parametrizing the residue function associated with the Δ Regge trajectory is considered. The input for the parametrization is given partly by the pole position and the residue of the Δ(1950), the first recurrence of the Δ(1236). These pole parameters are deduced from fits to the F 37 partial wave data from the AYED 74 phase shift analysis. Together with the Δ(1236) pole parameters, these provide information on the behavior of the Regge residue in the resonance region u less than 0 (in the context of s-channel backward scattering being dominated by u-channel Regge exchanges). Attempts to incorporate this information in parametrizations of the residue by means of real and complex functions lead to the conclusion that both the residue and the trajectory are better represented in the resonance region by complex parametrizations

  14. Physical properties of the binary systems methylcyclopentane with ketones (acetone, butanone and 2-pentanone) at T = (293.15, 298.15, and 303.15) K. New UNIFAC-VISCO interaction parameters

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, B. [Department of Chemical Engineering, University of Vigo, Lagoas-Marconende, s/n Apartado 874, 36200 Vigo (Spain); Dominguez, A. [Department of Chemical Engineering, University of Vigo, Lagoas-Marconende, s/n Apartado 874, 36200 Vigo (Spain); Tojo, J. [Department of Chemical Engineering, University of Vigo, Lagoas-Marconende, s/n Apartado 874, 36200 Vigo (Spain)]. E-mail: jtojo@uvigo.es

    2006-06-15

    In this work, the physical properties, dynamic viscosities, densities, and speed of sound have been measured over the whole composition range and atmospheric pressure for the binary mixtures (methylcyclopentane with acetone, butanone, and 2-pentanone) at several temperatures T = (293.15, 298.15, and 303.15) K along with the properties of the pure components. Excess molar volumes, isentropic compressibility, deviations in isentropic compressibility and viscosity deviation for the binary systems at the above-mentioned temperatures were calculated and fitted to the Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. The UNIQUAC equation was used to correlate the experimental viscosity data. The UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures. The interaction parameters of cycloalkanes with ketones (CH{sub cy}/CO) have been determined for their application in the predictive UNIFAC-VISCO method.

  15. Dynamic viscosities of binary mixtures of cycloalkanes with primary alcohols at T = (293.15, 298.15, and 303.15) K: New UNIFAC-VISCO interaction parameters

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Begona [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain); Calvar, Noelia [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain); Dominguez, Angeles [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain)]. E-mail: admguez@uvigo.es; Tojo, Jose [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain)

    2007-02-15

    In this work, dynamic viscosities, densities, and speed of sound have been measured over the whole composition range and 0.1 MPa for the binary mixtures (cyclopentane and cyclohexane with ethanol, 1-propanol, and 1-butanol) at several temperatures (293.15, 298.15, 303.15) K along with the properties of the pure components. Excess molar volumes, molar isentropic compression, excess molar isentropic compression, and excess free energy of activation for the binary systems at the above mentioned temperatures, were calculated and fitted to the Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. The UNIQUAC equation was used to correlate the experimental viscosity data. The UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures. The interaction parameters of cycloalkanes with primary alcohol (CH{sub cy}/-OH) have been determined for their application in the predictive UNIFAC-VISCO method.

  16. 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...

  17. Physiological parameters

    International Nuclear Information System (INIS)

    Natera, E.S.

    1998-01-01

    The physiological characteristics of man depend on the intake, metabolism and excretion of stable elements from food, water, and air. The physiological behavior of natural radionuclides and radionuclides from nuclear weapons testing and from the utilization of nuclear energy is believed to follow the pattern of stable elements. Hence information on the normal physiological processes occurring in the human body plays an important role in the assessment of the radiation dose received by man. Two important physiological parameters needed for internal dose determination are the pulmonary function and the water balance. In the Coordinated Research Programme on the characterization of Asian population, five participants submitted data on these physiological characteristics - China, India, Japan, Philippines and Viet Nam. During the CRP, data on other pertinent characteristics such as physical and dietary were simultaneously being collected. Hence, the information on the physiological characteristics alone, coming from the five participants were not complete and are probably not sufficient to establish standard values for the Reference Asian Man. Nonetheless, the data collected is a valuable contribution to this research programme

  18. Statistical inference on residual life

    CERN Document Server

    Jeong, Jong-Hyeon

    2014-01-01

    This is a monograph on the concept of residual life, which is an alternative summary measure of time-to-event data, or survival data. The mean residual life has been used for many years under the name of life expectancy, so it is a natural concept for summarizing survival or reliability data. It is also more interpretable than the popular hazard function, especially for communications between patients and physicians regarding the efficacy of a new drug in the medical field. This book reviews existing statistical methods to infer the residual life distribution. The review and comparison includes existing inference methods for mean and median, or quantile, residual life analysis through medical data examples. The concept of the residual life is also extended to competing risks analysis. The targeted audience includes biostatisticians, graduate students, and PhD (bio)statisticians. Knowledge in survival analysis at an introductory graduate level is advisable prior to reading this book.

  19. Study of some nitrogen transformation reactions as influenced by the agrochemicals in some soils of north Iraq by using labelled compounds. Part of a coordinated programme on isotopic-tracer-aided studies of agrochemical residue - soil biota interactions

    International Nuclear Information System (INIS)

    Shali, K.G.

    1982-06-01

    The effect is described of different pesticides when applied to autoclaved soils to which the mixture of nitrifier, ammonifier, and azotobacter were added and incubated for 90 days. The results are given of the respiration parameter of 14 CO 2 evolved at 30 and 60 days of incubation from soil samples obtained at depths of 15, 30, 45, and 60 cm. Graphs show the survival of mixture of nitrifier, ammonifier, and azotobacter treated with pesticides Benlate, Sevin, and Diptrex at three dose levels. Total bacterial counts as estimated by 14 C-glucose oxidation are also shown

  20. Z parameters

    International Nuclear Information System (INIS)

    Firestone, A.

    1990-01-01

    This paper presents results of studies of the Z Boson produced in e + e - annihilations in the DELPHI detector at the CERN LEP collider. Approximately 600 nb. -1 of useful data were collected in the first LEP running period in the last half of 1989. Results are presented on the mass and width of the Z Boson, on the partial widths of the Z decays into hadrons and into lepton pairs, on comparisons with the predictions of QCD, on the number of light neutrino generations, and on the searches for new particles. The authors find that M Z = 91.171 ± 0.030 (stat.) ± 0.030 (beam) GeV, Γ Z = 2.511 ± 0.065 GeV, Γ had. = 1741 ± 61 MeV, Γ lept. = 85.1 ± 2.9 MeV, Γ inv. = 515 ± 54 MeV, and N v = 2.97 ± 0.26 generations. The authors have set limits on the mass of the charged Higgs particle, and the authors find no evidence for new quarks, new heavy leptons, or any supersymmetric partners to the known particles. All the authors' results are consistent with the Standard Model of electroweak interactions plus QCD with exactly three generations of elementary fermions

  1. Nonsensing residues in S3-S4 linker's C terminus affect the voltage sensor set point in K+ channels.

    Science.gov (United States)

    Carvalho-de-Souza, Joao L; Bezanilla, Francisco

    2018-02-05

    Voltage sensitivity in ion channels is a function of highly conserved arginine residues in their voltage-sensing domains (VSDs), but this conservation does not explain the diversity in voltage dependence among different K + channels. Here we study the non-voltage-sensing residues 353 to 361 in Shaker K + channels and find that residues 358 and 361 strongly modulate the voltage dependence of the channel. We mutate these two residues into all possible remaining amino acids (AAs) and obtain Q-V and G-V curves. We introduced the nonconducting W434F mutation to record sensing currents in all mutants except L361R, which requires K + depletion because it is affected by W434F. By fitting Q-Vs with a sequential three-state model for two voltage dependence-related parameters ( V 0 , the voltage-dependent transition from the resting to intermediate state and V 1 , from the latter to the active state) and G-Vs with a two-state model for the voltage dependence of the pore domain parameter ( V 1/2 ), Spearman's coefficients denoting variable relationships with hydrophobicity, available area, length, width, and volume of the AAs in 358 and 361 positions could be calculated. We find that mutations in residue 358 shift Q-Vs and G-Vs along the voltage axis by affecting V 0 , V 1 , and V 1/2 according to the hydrophobicity of the AA. Mutations in residue 361 also shift both curves, but V 0 is affected by the hydrophobicity of the AA in position 361, whereas V 1 and V 1/2 are affected by size-related AA indices. Small-to-tiny AAs have opposite effects on V 1 and V 1/2 in position 358 compared with 361. We hypothesize possible coordination points in the protein that residues 358 and 361 would temporarily and differently interact with in an intermediate state of VSD activation. Our data contribute to the accumulating knowledge of voltage-dependent ion channel activation by adding functional information about the effects of so-called non-voltage-sensing residues on VSD dynamics. © 2018

  2. A Theoretical Study on Quantitative Prediction and Evaluation of Thermal Residual Stresses in Metal Matrix Composite (Case 1 : Two-Dimensional In-Plane Fiber Distribution)

    International Nuclear Information System (INIS)

    Lee, Joon Hyun; Son, Bong Jin

    1997-01-01

    Although discontinuously reinforced metal matrix composite(MMC) is one of the most promising materials for applications of aerospace, automotive industries, the thermal residual stresses developed in the MMC due to the mismatch in coefficients of thermal expansion between the matrix and the fiber under a temperature change has been pointed out as one of the serious problem in practical applications. There are very limited nondestructive techniques to measure the residual stress of composite materials. However, many difficulties have been reported in their applications. Therefore it is important to establish analytical model to evaluate the thermal residual stress of MMC for practical engineering application. In this study, an elastic model is developed to predict the average thermal residual stresses in the matrix and fiber of a misoriented short fiber composite. The thermal residual stresses are induced by the mismatch in the coefficient of the thermal expansion of the matrix and fiber when the composite is subjected to a uniform temperature change. The model considers two-dimensional in-plane fiber misorientation. The analytical formulation of the model is based on Eshelby's equivalent inclusion method and is unique in that it is able to account for interactions among fibers. This model is more general than past models to investigate the effect of parameters which might influence thermal residual stress in composites. The present model is to investigate the effects of fiber volume fraction, distribution type, distribution cut-off angle, and aspect ratio on thermal residual stress for in-plane fiber misorientation. Fiber volume fraction, aspect ratio, and distribution cut-off angle are shown to have more significant effects on the magnitude of the thermal residual stresses than fiber distribution type for in-plane misorientation

  3. Improving sensitivity of residual current transformers to high frequency earth fault currents

    Directory of Open Access Journals (Sweden)

    Czapp Stanislaw

    2017-09-01

    Full Text Available For protection against electric shock in low voltage systems residual current devices are commonly used. However, their proper operation can be interfered when high frequency earth fault current occurs. Serious hazard of electrocution exists then. In order to detect such a current, it is necessary to modify parameters of residual current devices, especially the operating point of their current transformer. The authors proposed the modification in the structure of residual current devices. This modification improves sensitivity of residual current devices when high frequency earth fault current occurs. The test of the modified residual current device proved that the authors’ proposition is appropriate.

  4. A Numerical Model for Prediction of Residual Stress Using Rayleigh Waves

    International Nuclear Information System (INIS)

    Yuan, Mao Dan; Kang, To; Kim, Hak Joon; Song, Sung Jin

    2011-01-01

    In this work, a numerical model is proposed for the relation between the magnitudes and the depth residual stress with the velocity of Rayleigh wave. Three cases, stress-free, uniform stress and layered stress, are investigated for the change tendency of the Rayleigh wave speed. Using the simulated signal with variation of residual stress magnitude and depth, investigation of the parameters for fitting residual stress and velocity change are performed. The speed change of Rayleigh wave shows a linear relation with the magnitude and an exponential relation with the depth of residual stress. The combination of these two effects could be used for the depth profile evaluation of the residual stress

  5. 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

  6. Impact of Corn Residue Removal on Crop and Soil Productivity

    Science.gov (United States)

    Johnson, J. M.; Wilhelm, W. W.; Hatfield, J. L.; Voorhees, W. B.; Linden, D.

    2003-12-01

    Over-reliance on imported fuels, increasing atmospheric levels of greenhouses and sustaining food production for a growing population are three of the most important problems facing society in the mid-term. The US Department of Energy and private enterprise are developing technology necessary to use high cellulose feedstock, such as crop residues, for ethanol production. Based on production levels, corn (Zea mays L.) residue has potential as a biofuel feedstock. Crop residues are a renewable and domestic fuel source, which can reduce the rate of fossil fuel use (both imported and domestic) and provide an additional farm commodity. Crop residues protect the soil from wind and water erosion, provide inputs to form soil organic matter (a critical component determining soil quality) and play a role in nutrient cycling. Crop residues impact radiation balance and energy fluxes and reduce evaporation. Therefore, the benefits of using crop residues as fuel, which removes crop residues from the field, must be balanced against negative environmental impacts (e.g. soil erosion), maintaining soil organic matter levels, and preserving or enhancing productivity. All ramifications of new management practices and crop uses must be explored and evaluated fully before an industry is established. There are limited numbers of long-term studies with soil and crop responses to residue removal that range from negative to negligible. The range of crop and soil responses to crop residue removal was attributed to interactions with climate, management and soil type. Within limits, corn residue can be harvested for ethanol production to provide a renewable, domestic source of energy feedstock that reduces greenhouse gases. Removal rates must vary based on regional yield, climatic conditions and cultural practices. Agronomists are challenged to develop a protocol (tool) for recommending maximum permissible removal rates that ensure sustained soil productivity.

  7. 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)

  8. 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.

  9. Residual symptoms and functioning in depression, does the type of residual symptom matter? A post-hoc analysis

    Directory of Open Access Journals (Sweden)

    Romera Irene

    2013-02-01

    Full Text Available Abstract Background The degrees to which residual symptoms in major depressive disorder (MDD adversely affect patient functioning is not known. This post-hoc analysis explored the association between different residual symptoms and patient functioning. Methods Patients with MDD who responded (≥50% on the 17-item Hamilton Rating Scale for Depression; HAMD-17 after 3 months of treatment (624/930 were included. Residual core mood-symptoms (HAMD-17 core symptom subscale ≥1, residual insomnia-symptoms (HAMD-17 sleep subscale ≥1, residual anxiety-symptoms (HAMD-17-anxiety subscale ≥1, residual somatic-symptoms (HAMD-17 Item 13 ≥1, pain (Visual Analogue Scale ≥30, and functioning were assessed after 3 months treatment. A stepwise logistic regression model with normal functioning (Social and Occupational Functioning Assessment Scale ≥80 as the dependent variable was used. Results After 3 months, 59.5% of patients (371/624 achieved normal functioning and 66.0% (412/624 were in remission. Residual symptom prevalence was: core mood symptoms 72%; insomnia 63%; anxiety 78%; and somatic symptoms 41%. Pain reported in 18%. Factors associated with normal functioning were absence of core mood symptoms (odds ratio [OR] 8.7; 95% confidence interval [CI], 4.6–16.7, absence of insomnia symptoms (OR 1.8; 95% CI, 1.2–2.7, episode length (4–24 weeks vs. ≥24 weeks [OR 2.0; 95% CI, 1.1–3.6] and better baseline functioning (OR 1.0; 95% CI, 1.0–1.1. A significant interaction between residual anxiety symptoms and pain was found (p = 0.0080. Conclusions Different residual symptoms are associated to different degrees with patient functioning. To achieve normal functioning, specific residual symptoms domains might be targeted for treatment.

  10. 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 reveal bodily potential in relation to three design themes – kinesthetic development, kinesthetic means and kinesthetic disorder; and seven design parameters – engagement, sociality, movability, explicit motivation, implicit motivation, expressive meaning and kinesthetic empathy. The framework is a tool...

  11. Application of the whole powder pattern decomposition procedure in the residual stress analysis of layers and coatings

    International Nuclear Information System (INIS)

    Schoderböck, Peter; Brechbühl, Jens

    2015-01-01

    The X-ray investigation of stress states in materials, based on the determination of elastic lattice strains which are converted to stresses by means of theory of elasticity, is a necessity in quality control of thin layers and coatings for optimizing manufacturing steps and process parameters. This work introduces the evaluation of residual stress from complex and overlapping diffraction patterns using a whole-powder pattern decomposition procedure defining a 2θ-offset caused by residual stresses. Furthermore corrections for sample displacement and refraction are directly implemented in the calculation procedure. The correlation matrices of the least square fitting routines have been analyzed for parameter interactions and obvious interdependencies have been decoupled by the introduction of an internal standard within the diffraction experiment. This decomposition based evaluation has been developed on tungsten as a model material system and its efficiency was demonstrated by X-ray diffraction analysis of a solid oxide fuel cell multilayer system. The results are compared with those obtained by the classical sin 2 Ψ-method. - Highlights: • Analysis of complex multiphase diffraction patterns with respect to residual stress • Stress-gradient determination with in situ correction of displacement and refraction • Consideration of the elastic anisotropy within the refinement

  12. 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.

  13. 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.

  14. Residual number processing in dyscalculia ?

    OpenAIRE

    Cappelletti, Marinella; Price, Cathy J.

    2013-01-01

    Developmental dyscalculia – a congenital learning disability in understanding numerical concepts – is typically associated with parietal lobe abnormality. However, people with dyscalculia often retain some residual numerical abilities, reported in studies that otherwise focused on abnormalities in the dyscalculic brain. Here we took a different perspective by focusing on brain regions that support residual number processing in dyscalculia. All participants accurately performed semantic and ca...

  15. Americium recovery from reduction residues

    Science.gov (United States)

    Conner, W.V.; Proctor, S.G.

    1973-12-25

    A process for separation and recovery of americium values from container or bomb'' reduction residues comprising dissolving the residues in a suitable acid, adjusting the hydrogen ion concentration to a desired level by adding a base, precipitating the americium as americium oxalate by adding oxalic acid, digesting the solution, separating the precipitate, and thereafter calcining the americium oxalate precipitate to form americium oxide. (Official Gazette)

  16. Noise and noise disturbances from wind power plants - Tests with interactive control of sound parameters for more comfortable and less perceptible sounds; Buller och bullerstoerningar fraan vindkraftverk - Foersoek med interaktiv styrning av ljudparametrar foer behagligare och mindre maerkbara ljud

    Energy Technology Data Exchange (ETDEWEB)

    Persson-Waye, K.; Oehrstroem, E.; Bjoerkman, M.; Agge, A. [Goeteborg Univ. (Sweden). Dept. of Environmental Medicine

    2001-12-01

    In experimental pilot studies, a methodology has been worked out for interactively varying sound parameters in wind power plants. In the tests, 24 persons varied the center frequency of different band-widths, the frequency of a sinus-tone and the amplitude-modulation of a sinus-tone in order to create as comfortable a sound as possible. The variations build on the noise from the two wind turbines Bonus and Wind World. The variations were performed with a constant dba level. The results showed that the majority preferred a low-frequency tone (94 Hz and 115 Hz for Wind World and Bonus, respectively). The mean of the most comfortable amplitude-modulation varied between 18 and 22 Hz, depending on the ground frequency. The mean of the center-frequency for the different band-widths varied from 785 to 1104 Hz. In order to study the influence of the wind velocity on the acoustic character of the noise, a long-time measurement program has been performed. A remotely controlled system has been developed, where wind velocity, wind direction, temperature and humidity are registered simultaneously with the noise. Long-time registrations have been performed for four different wing turbines.

  17. Study on residual stresses in ultrasonic torsional vibration assisted micro-milling

    Science.gov (United States)

    Lu, Zesheng; Hu, Haijun; Sun, Yazhou; Sun, Qing

    2010-10-01

    It is well known that machining induced residual stresses can seriously affect the dimensional accuracy, corrosion and wear resistance, etc., and further influence the longevity and reliability of Micro-Optical Components (MOC). In Ultrasonic Torsional Vibration Assisted Micro-milling (UTVAM), cutting parameters, vibration parameters, mill cutter parameters, the status of wear length of tool flank are the main factors which affect residual stresses. A 2D model of UTVAM was established with FE analysis software ABAQUS. Johnson-Cook's flow stress model and shear failure principle are used as the workpiece material model and failure principle, while friction between tool and workpiece uses modified Coulomb's law whose sliding friction area is combined with sticking friction. By means of FEA, the influence rules of cutting parameters, vibration parameters, mill cutter parameters, the status of wear length of tool flank on residual stresses are obtained, which provides a basis for choosing optimal process parameters and improving the longevity and reliability of MOC.

  18. Observation of the non colliding bunch parameters evolution in the LHC

    CERN Document Server

    Trad, G

    2012-01-01

    On the 6th and the 7th of June 2011, the LHC was filled so to have twelve additional non-colliding bunches per ring. In this note a detailed observation of the bunch parameters (current, emittances and length) is presented, focusing on the differences in the behaviour between colliding and non-colliding bunches. Lifetimes for the residual gas interaction were estimated. Simulations were compared to the experimental data collected in the MD. Some conclusions are drawn and suggestions for future MD are discussed.

  19. 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.

  20. The Effect of Crop Residue Application to Soil Fauna Community and Mungbean Growth (Vigna radata

    Directory of Open Access Journals (Sweden)

    SUGIYARTO

    2000-01-01

    Full Text Available Litterbag experiment was carried out to determine the effect of crop residue application to soil fauna community and mungbean growth. The experiment arranged in randomized complete design with triplicate. The four treatment application of crotalarian, rice straw and banana’s aerial stem residues as well as without residue application as control. Soil fauna community and mungbean growth measured at 8 weeks after mungbean sown. Soil fauna extracted by modified Barless-Tullgren extractor apparatus. Height and dry weight of mungbean measured as crop growth parameters. The results indicated that the soil fauna densities and diversities as well as the growth of mungbean tended to increase by the application of crop residues. The effect of the treatment decreasing in the following order: banana’s aerial stem residue > crotalarian residue > rice straw > without residue application. There were high correlation between mungbean growth and soil fauna diversities.© 2001 Jurusan Biologi FMIPA UNS SurakartaKey words:

  1. 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...

  2. Molecular interactions between single layered MoS2 and biological molecules† †Electronic supplementary information (ESI) available: SFG data analysis methods, spectral fitting parameters, additional spectra, CD spectrum, and details about MD simulation methods. See DOI: 10.1039/c7sc04884j

    Science.gov (United States)

    Xiao, Minyu; Wei, Shuai; Li, Yaoxin; Jasensky, Joshua; Chen, Junjie; Brooks, Charles L.

    2017-01-01

    Two-dimensional (2D) materials such as graphene, molybdenum disulfide (MoS2), tungsten diselenide (WSe2), and black phosphorous are being developed for sensing applications with excellent selectivity and high sensitivity. In such applications, 2D materials extensively interact with various analytes including biological molecules. Understanding the interfacial molecular interactions of 2D materials with various targets becomes increasingly important for the progression of better-performing 2D-material based sensors. In this research, molecular interactions between several de novo designed alpha-helical peptides and monolayer MoS2 have been studied. Molecular dynamics simulations were used to validate experimental data. The results suggest that, in contrast to peptide–graphene interactions, peptide aromatic residues do not interact strongly with the MoS2 surface. It is also found that charged amino acids are important for ensuring a standing-up pose for peptides interacting with MoS2. By performing site-specific mutations on the peptide, we could mediate the peptide–MoS2 interactions to control the peptide orientation on MoS2. PMID:29675220

  3. Environmental assessment of incinerator residue utilisation

    Energy Technology Data Exchange (ETDEWEB)

    Toller, Susanna

    2008-10-15

    binding than previously understood. Differences were also observed between MSWI bottom ash DOM and the natural DOM for which the geochemical speciation models SHM and NICA-Donnan are calibrated. Revised parameter values for speciation modelling are therefore suggested. Additions of salt or natural DOM in the influent did not change the leachate concentration of Cu. Thus, although Cl and natural DOM might be present in the influent in the field due to road salting or infiltration of soil water, this is of minor importance for the potential environmental impact from MSWI bottom ash. This thesis allows estimates of long-term leaching and toxicity to be improved and demonstrates the need for broadening the system boundaries in order to highlight the tradeoffs between different types of impact. For decisions on whether incinerator residues should be utilised or landfilled, the use of a life cycle perspective in combination with more detailed assessments is recommended

  4. Biotropic parameters of magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Shishlo, M.A.

    The use of magnetic fields (MF) in biology and medicine to control biological systems has led to appearance of the term, biotropic parameters of MF. They include the physical characteristics of MF, which determine the primary biologically significant physicochemical mechanisms of field action causing formation of corresponding reactions on the level of the integral organism. These parameters include MF intensity, gradient, vector, pulse frequency and shape, and duration of exposure. Factors that elicit responses by the biological system include such parameter of MF interaction with the integral organism as localization of exposure and volume of tissues interacting with the field, as well as the initial state of the organism. In essence, the findings of experimental studies of biotropic parameters of MF make it possible to control physiological processes and will aid in optimizing methods of MF therapy.

  5. 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

  6. Minimization of zirconium chlorinator residues

    International Nuclear Information System (INIS)

    Green, G.K.; Harbuck, D.D.

    1995-01-01

    Zirconium chlorinator residues contain an array of rare earths, scandium, unreacted coke, and radioactive thorium and radium. Because of the radioactivity, the residues must be disposed in special waste containment facilities. As these sites become more congested, and with stricter environmental regulations, disposal of large volumes of wastes may become more difficult. To reduce the mass of disposed material, the US Bureau of Mines (USBM) developed technology to recover rare earths, thorium and radium, and unreacted coke from these residues. This technology employs an HCl leach to solubilize over 99% of the scandium and thorium, and over 90% of the rare earths. The leach liquor is processed through several solvent extraction stages to selectively recover scandium, thorium, and rare earths. The leach residue is further leached with an organic acid to solubilize radium, thus allowing unreacted coke to be recycled to the chlorinator. The thorium and radium waste products, which comprise only 2.1% of the original residue mass, can then be sent to the radioactive waste facility

  7. Tyrosine Residues Regulate Multiple Nuclear Functions of P54nrb.

    Science.gov (United States)

    Lee, Ahn R; Hung, Wayne; Xie, Ning; Liu, Liangliang; He, Leye; Dong, Xuesen

    2017-04-01

    The non-POU-domain-containing octamer binding protein (NONO; also known as p54nrb) has various nuclear functions ranging from transcription, RNA splicing, DNA synthesis and repair. Although tyrosine phosphorylation has been proposed to account for the multi-functional properties of p54nrb, direct evidence on p54nrb as a phosphotyrosine protein remains unclear. To investigate the tyrosine phosphorylation status of p54nrb, we performed site-directed mutagenesis on the five tyrosine residues of p54nrb, replacing the tyrosine residues with phenylalanine or alanine, and immunoblotted for tyrosine phosphorylation. We then preceded with luciferase reporter assays, RNA splicing minigene assays, co-immunoprecipitation, and confocal microscopy to study the function of p54nrb tyrosine residues on transcription, RNA splicing, protein-protein interaction, and cellular localization. We found that p54nrb was not phosphorylated at tyrosine residues. Rather, it has non-specific binding affinity to anti-phosphotyrosine antibodies. However, replacement of tyrosine with phenylalanine altered p54nrb activities in transcription co-repression and RNA splicing in gene context-dependent fashions by means of differential regulation of p54nrb protein association with its interacting partners and co-regulators of transcription and splicing. These results demonstrate that tyrosine residues, regardless of phosphorylation status, are important for p54nrb function. J. Cell. Physiol. 232: 852-861, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  8. 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

  9. 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

  10. Coking of residue hydroprocessing catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Gray, M.R.; Zhao, Y.X. [Alberta Univ., Edmonton, AB (Canada). Dept. of Chemical Engineering; McKnight, C.A. [Syncrude Canada Ltd., Edmonton, AB (Canada); Komar, D.A.; Carruthers, J.D. [Cytec Industries Inc., Stamford, CT (United States)

    1997-11-01

    One of the major causes of deactivation of Ni/Mo and Co/Mo sulfide catalysts for hydroprocessing of heavy petroleum and bitumen fractions is coke deposition. The composition and amount of coke deposited on residue hydroprocessing catalysts depends on the composition of the liquid phase of the reactor. In the Athabasca bitumen, the high molecular weight components encourage coke deposition at temperatures of 430 to 440 degrees C and at pressures of 10 to 20 MPa hydrogen pressure. A study was conducted to determine which components in the heavy residual oil fraction were responsible for coking of catalysts. Seven samples of Athabasca vacuum residue were prepared by supercritical fluid extraction with pentane before being placed in the reactor. Carbon content and hydrodesulfurization activity was measured. It was concluded that the deposition of coke depended on the presence of asphaltenes and not on other compositional variables such as content of nitrogen, aromatic carbon or vanadium.

  11. On residual stresses and fatigue of laser hardened steels

    International Nuclear Information System (INIS)

    Lin, Ru.

    1992-01-01

    This thesis deals with studies on residual stresses and fatigue properties of laser-transformation hardened steels. Two types of specimens, cylinders and fatigue specimens were used in the studies. The cylinders, made of Swedish steels SS 2244 and SS 2258 which correspond to AISI 4140 and AISI 52100 respectively, were locally hardened by a single scan of laser beam in the longitudinal direction, with various laser parameters. Residual stress distributions across the hardened tracks were measured by means of X-ray diffraction. The origins of residual stresses were investigated and discussed. For the fatigue specimens, including smooth and notched types made of Swedish steels SS 2244, SS 2225 and SS 1572 (similar to AISI 4140, AISI 4130 and AISI 1035, respectively), laser hardening was carried out in the gauge section. The residual stress field induced by the hardening process and the fatigue properties by plane bending fatigue test were studied. In order to investigate the stability of the residual stress field, stress measurements were also made on specimens being loaded near the fatigue limits for over 10 7 cycles. Further the concept of local fatigue strength was employed to correlate quantitatively the effect of hardness and residual stress field on the fatigue limits. In addition a group of smooth specimens of SS 2244 was induction hardened and the hardening results were compared with the corresponding laser hardened ones in terms of residual stress and fatigue behaviour. It has been found that compressive stresses exist in the hardened zone of all the specimens studied. The laser hardening condition, the specimen and how the hardening is carried out can significantly affect the residual stress field. Laser hardening can greatly improve the fatigue properties by inducing a hardened and compressed surface layer. (112 refs.)(au)

  12. Evaluation of Crops Sensitivity to Atrazine Soil Residual

    Directory of Open Access Journals (Sweden)

    E Izadi

    2012-02-01

    Full Text Available Abstract In order to study the sensitivity of 9 crops to atrazine soil residual, two separate experiments were conducted in field and greenhouse conditions. First experiment was conducted in a field with treated soil by atrazine based on split plot and the results evaluated in greenhouse conditions. Treatments in the field experiment included two organic manure application rates (0 and 50 t/ha as main plots and 2 atrazine application rates (2 and 4 kg/ha atrazine a.i. as sob plots. After corn harvesting soil was sampled at 0-15 cm surface layer in each plots in 15 points, after mixing the samples. Wheat, barley, sugar beet, pea, lens and colza planted in pots at greenhouse. Second experiment conducted in greenhouse conditions for evaluation of atrazine soil residual in completely randomized design. Treatments included atrazine soil residual concentrations (0, 0.2, 0.5, 1, 5, 10 and 15 mg/kg soil and crops included wheat, barley, sugar beet, pea, lens, rape, bean and tomato. Results showed that atrazine residue had no effect on crops growth in field experiment treated with atrazine. It seems that atrazine residue in filed soil is lower that its damage threshold for crops or maybe for its fast removal in field than in control conditions. But in bioassay experiment (greenhouse experiment crops response to atrazine residues were different. Results showed that onion and pea were most susceptible ant tolerant crops between studied species and based of ED50 parameter the other crops tolerance to total residue ranked as: pea< bean< lentil< sugar beet< tomato< barley< wheat< rape< onion. Keywords: Atrazine residue, Pea, Bean, Lentil, Sugar beet, Barley, Wheat, Rape, Tomato

  13. On residual stresses and fatigue of laser hardened steels

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Ru.

    1992-01-01

    This thesis deals with studies on residual stresses and fatigue properties of laser-transformation hardened steels. Two types of specimens, cylinders and fatigue specimens were used in the studies. The cylinders, made of Swedish steels SS 2244 and SS 2258 which correspond to AISI 4140 and AISI 52100 respectively, were locally hardened by a single scan of laser beam in the longitudinal direction, with various laser parameters. Residual stress distributions across the hardened tracks were measured by means of X-ray diffraction. The origins of residual stresses were investigated and discussed. For the fatigue specimens, including smooth and notched types made of Swedish steels SS 2244, SS 2225 and SS 1572 (similar to AISI 4140, AISI 4130 and AISI 1035, respectively), laser hardening was carried out in the gauge section. The residual stress field induced by the hardening process and the fatigue properties by plane bending fatigue test were studied. In order to investigate the stability of the residual stress field, stress measurements were also made on specimens being loaded near the fatigue limits for over 10[sup 7] cycles. Further the concept of local fatigue strength was employed to correlate quantitatively the effect of hardness and residual stress field on the fatigue limits. In addition a group of smooth specimens of SS 2244 was induction hardened and the hardening results were compared with the corresponding laser hardened ones in terms of residual stress and fatigue behaviour. It has been found that compressive stresses exist in the hardened zone of all the specimens studied. The laser hardening condition, the specimen and how the hardening is carried out can significantly affect the residual stress field. Laser hardening can greatly improve the fatigue properties by inducing a hardened and compressed surface layer. (112 refs.)(au).

  14. Semiparametric regression for restricted mean residual life under right censoring

    DEFF Research Database (Denmark)

    Mansourvar, Zahra; Martinussen, Torben; Scheike, Thomas H.

    2015-01-01

    is not observed, the restricted mean residual life must be considered. In this paper, we propose the proportional restricted mean residual life model for fitting survival data under right censoring. For inference on the model parameters, martingale estimating equations are developed, and the asymptotic properties...... of the proposed estimators are established. In addition, a class of goodness-of-fit test is presented to assess the adequacy of the model. The finite sample behavior of the proposed estimators is evaluated through simulation studies, and the approach is applied to a set of real life data collected from...

  15. 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...

  16. 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)

  17. 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...

  18. 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.

  19. Residual Structures in Latent Growth Curve Modeling

    Science.gov (United States)

    Grimm, Kevin J.; Widaman, Keith F.

    2010-01-01

    Several alternatives are available for specifying the residual structure in latent growth curve modeling. Two specifications involve uncorrelated residuals and represent the most commonly used residual structures. The first, building on repeated measures analysis of variance and common specifications in multilevel models, forces residual variances…

  20. Computing Decoupled Residuals for Compact Disc Players

    DEFF Research Database (Denmark)

    Odgaard, Peter Fogh; Stoustrup, Jakob; Andersen, Palle

    2006-01-01

    a pair of residuals generated by Compact Disc Player. However, these residuals depend on the performance of position servos in the Compact Disc Player. In other publications of the same authors a pair of decoupled residuals is derived. However, the computation of these alternative residuals has been...

  1. Residual stresses in laser direct metal deposited Waspaloy

    International Nuclear Information System (INIS)

    Moat, R.J.; Pinkerton, A.J.; Li, L.; Withers, P.J.; Preuss, M.

    2011-01-01

    Research highlights: → Neutron diffraction and the contour method show good agreement. → Tensile stresses found parallel to the surfaces. → Compressive stresses within the bulk of the structures. → Residual stress weakly dependent on the laser pulse parameters. → Maximum tensile residual stress unaffected across range of pulse parameters used. - Abstract: This paper reports a study into the effect of laser pulse length and duty cycle on the residual stress distributions in multi-track laser direct metal deposits of Waspaloy onto an Inconel 718 substrate. The residual stresses have been evaluated using neutron diffraction and the contour method, while electron microscopy and micro hardness indentation have been used to map the concomitant microstructural variation. In all cases, near the tops of the deposited walls, the longitudinal stresses are tensile towards the mid-length of the wall, while the stresses perpendicular to the substrate are negligible. By contrast near the base of the walls, the stresses along the direction of deposition are small, while the stresses perpendicular to the substrate are compressive at the centre and tensile towards the ends. Consistent with previous observations, the stresses parallel to free surfaces are tensile, balanced by compressive stresses in the interior (an inverse quench stress profile). These profiles have been found to be weakly dependent on the laser pulse parameters, most notably an increase in tensile stress gradient with increasing duty cycle, but the maximum residual stresses are largely unaffected. Furthermore, microstructural analysis has shown that the effect of laser pulse parameters on grain morphology in multi-track thick walls is less marked than previously reported for single-track wall structures.

  2. Residual stresses in laser direct metal deposited Waspaloy

    Energy Technology Data Exchange (ETDEWEB)

    Moat, R.J., E-mail: richard.moat@manchester.ac.uk [School of Materials, University of Manchester, Grosvenor Street, Manchester M1 7HS (United Kingdom); Pinkerton, A.J.; Li, L. [Laser Processing Research Centre, School of Mechanical, Aerospace and Civil Engineering, University of Manchester, M60 1QD (United Kingdom); Withers, P.J.; Preuss, M. [School of Materials, University of Manchester, Grosvenor Street, Manchester M1 7HS (United Kingdom)

    2011-03-15

    Research highlights: {yields} Neutron diffraction and the contour method show good agreement. {yields} Tensile stresses found parallel to the surfaces. {yields} Compressive stresses within the bulk of the structures. {yields} Residual stress weakly dependent on the laser pulse parameters. {yields} Maximum tensile residual stress unaffected across range of pulse parameters used. - Abstract: This paper reports a study into the effect of laser pulse length and duty cycle on the residual stress distributions in multi-track laser direct metal deposits of Waspaloy onto an Inconel 718 substrate. The residual stresses have been evaluated using neutron diffraction and the contour method, while electron microscopy and micro hardness indentation have been used to map the concomitant microstructural variation. In all cases, near the tops of the deposited walls, the longitudinal stresses are tensile towards the mid-length of the wall, while the stresses perpendicular to the substrate are negligible. By contrast near the base of the walls, the stresses along the direction of deposition are small, while the stresses perpendicular to the substrate are compressive at the centre and tensile towards the ends. Consistent with previous observations, the stresses parallel to free surfaces are tensile, balanced by compressive stresses in the interior (an inverse quench stress profile). These profiles have been found to be weakly dependent on the laser pulse parameters, most notably an increase in tensile stress gradient with increasing duty cycle, but the maximum residual stresses are largely unaffected. Furthermore, microstructural analysis has shown that the effect of laser pulse parameters on grain morphology in multi-track thick walls is less marked than previously reported for single-track wall structures.

  3. 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...

  4. 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...

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

    DEFF Research Database (Denmark)

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

    2015-01-01

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

  6. 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...

  7. Interacting boson model with surface delta interaction between nucleons: Structure and interaction of bosons

    International Nuclear Information System (INIS)

    Druce, C.H.; Moszkowski, S.A.

    1986-01-01

    The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. We have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson-proton-boson interaction for the case of degenerate orbits. A connection is made between these coefficients and the parameters of the interaction boson model Hamiltonian. A link between the latter parameters and the single boson energies is suggested

  8. Interacting boson model with surface delta interaction between nucleons: Structure and interaction of bosons

    Energy Technology Data Exchange (ETDEWEB)

    Druce, C.H.; Moszkowski, S.A.

    1986-01-01

    The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. We have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson-proton-boson interaction for the case of degenerate orbits. A connection is made between these coefficients and the parameters of the interaction boson model Hamiltonian. A link between the latter parameters and the single boson energies is suggested.

  9. 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.

  10. 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

  11. 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 curren...

  12. 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

  13. Setting Parameters for Biological Models With ANIMO

    NARCIS (Netherlands)

    Schivo, Stefano; Scholma, Jetse; Karperien, Hermanus Bernardus Johannes; Post, Janine Nicole; van de Pol, Jan Cornelis; Langerak, Romanus; André, Étienne; Frehse, Goran

    2014-01-01

    ANIMO (Analysis of Networks with Interactive MOdeling) is a software for modeling biological networks, such as e.g. signaling, metabolic or gene networks. An ANIMO model is essentially the sum of a network topology and a number of interaction parameters. The topology describes the interactions

  14. IAHR List of Sea Parameters

    DEFF Research Database (Denmark)

    Frigaard, Peter; Helm-Petersen, J; Klopman, G.

    1997-01-01

    A Working Group on multidirectional waves formed by the International Association for Hydraulic Research has proposed an update of the IAHR List of Sea State Parameters from 1986 in the part concerning directional. Especially wave structure interaction with reflection of the waves have been treated....

  15. Residual heat removal system diagnostic advisor

    International Nuclear Information System (INIS)

    Tripp, L.

    1991-01-01

    This paper reports on the Residual Heat Removal System (RHRS) Diagnostic Advisor which is an expert system designed to alert the operators to abnormal conditions that exits in the RHRS and offer advice about the cause of the abnormal conditions. The Advisor uses a combination of rule-based and model-based diagnostic techniques to perform its functions. This diagnostic approach leads to a deeper understanding of the RHRS by the Advisor and consequently makes it more robust to unexpected conditions. The main window of the interactive graphic display is a schematic diagram of the RHRS piping system. When a conclusion about a failed component can be reached, the operator can bring up windows that describe the failure mode of the component and a brief explanation about how the Advisor arrived at its conclusion

  16. Free flight in parameter space

    DEFF Research Database (Denmark)

    Dahlstedt, Palle; Nilsson, Per Anders

    2008-01-01

    with continuous interpolation between population members. With a suitable sound engine, the system forms a surprisingly expressive performance instrument, used by the electronic free impro duo pantoMorf in concerts and recording sessions over the last year.......The well-known difficulty of controlling many synthesis parameters in performance, for exploration and expression, is addressed. Inspired by interactive evolution, random vectors in parameter space are assigned to an array of pressure sensitive pads. Vectors are scaled with pressure and added...... to define the current point in parameter space. Vectors can be scaled globally, allowing exploration of the whole space or minute timberal expression. The vector origin can be shifted at any time, allowing exploration of subspaces. In essence, this amounts to mutation-based interactive evolution...

  17. 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)

  18. 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

  19. Reducing agent and exogenous protease additions, individually and in combination, to wheat- and sorghum-based diets interactively influence parameters of nutrient utilisation and digestive dynamics in broiler chickens

    Directory of Open Access Journals (Sweden)

    Peter H. Selle

    2016-12-01

    Full Text Available The objective of the study was to investigate the possibility that tandem inclusions of a reducing agent and a protease may advantage chicken-meat production and to ascertain if the established benefits of including sodium metabisulphite in sorghum-based diets extend to wheat-based diets. The study comprised a 2 × 2 × 2 factorial array of treatments in which either nutritionally iso-nitrogenous and iso-energetic wheat- or sorghum-based diets, without and with sodium metabisulphite (2.75 g/kg, without and with protease (1,000 units/kg were offered to broiler chickens from 7 to 28 days post–hatch. The effects of dietary treatments on growth performance, nutrient utilisation, protein (N and starch digestibility coefficients and digestive dynamics were determined. A preliminary investigation into the effects of two treatments on concentrations of free amino acids and glucose in the portal circulation was conducted. There was significant feed grain by sodium metabisulphite interactions (P = 0.03 to 0.005 for parameters of nutrient utilisation (AME, ME:GE ratios, N retention, AMEn. For example, sodium metabisulphite inclusions in sorghum-based diets enhanced AME by 0.18 MJ (12.47 versus 12.29 MJ/kg but depressed AME by 0.43 MJ (11.88 versus 12.31 MJ/kg in wheat-based diets. There was a linear relationship between starch:protein disappearance rate ratios in the distal ileum with weight gain (r = −0.484; P = 0.0012 indicating that condensed ratios (or absorption of more protein relative to starch advantaged growth performance. Concentrations of free amino acids in the portal circulation or the post-enteral availability of certain amino acids, including the branched-chain amino acids, methionine, phenylalanine and threonine, were significantly correlated to FCR. For example, threonine concentrations were negatively correlated to FCR (r = −0.773; P = 0.005. Finally, tandem inclusions of sodium metabisulphite and protease in

  20. Analysis of residual stress state in sheet metal parts processed by single point incremental forming

    Science.gov (United States)

    Maaß, F.; Gies, S.; Dobecki, M.; Brömmelhoff, K.; Tekkaya, A. E.; Reimers, W.

    2018-05-01

    The mechanical properties of formed metal components are highly affected by the prevailing residual stress state. A selective induction of residual compressive stresses in the component, can improve the product properties such as the fatigue strength. By means of single point incremental forming (SPIF), the residual stress state can be influenced by adjusting the process parameters during the manufacturing process. To achieve a fundamental understanding of the residual stress formation caused by the SPIF process, a valid numerical process model is essential. Within the scope of this paper the significance of kinematic hardening effects on the determined residual stress state is presented based on numerical simulations. The effect of the unclamping step after the manufacturing process is also analyzed. An average deviation of the residual stress amplitudes in the clamped and unclamped condition of 18 % reveals, that the unclamping step needs to be considered to reach a high numerical prediction quality.

  1. Verification and Validation of Residual Stresses in Bi-Material Composite Rings

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, Stacy Michelle [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Hanson, Alexander Anthony [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Briggs, Timothy [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Werner, Brian T. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2017-07-01

    Process-induced residual stresses commonly occur in composite structures composed of dissimilar materials. These residual stresses form due to differences in the composite materials’ coefficients of thermal expansion and the shrinkage upon cure exhibited by polymer matrix materials. Depending upon the specific geometric details of the composite structure and the materials’ curing parameters, it is possible that these residual stresses could result in interlaminar delamination or fracture within the composite. Therefore, the consideration of potential residual stresses is important when designing composite parts and their manufacturing processes. However, the experimental determination of residual stresses in prototype parts can be time and cost prohibitive. As an alternative to physical measurement, it is possible for computational tools to be used to quantify potential residual stresses in composite prototype parts. Therefore, the objectives of the presented work are to demonstrate a simplistic method for simulating residual stresses in composite parts, as well as the potential value of sensitivity and uncertainty quantification techniques during analyses for which material property parameters are unknown. Specifically, a simplified residual stress modeling approach, which accounts for coefficient of thermal expansion mismatch and polymer shrinkage, is implemented within the Sandia National Laboratories’ developed SIERRA/SolidMechanics code. Concurrent with the model development, two simple, bi-material structures composed of a carbon fiber/epoxy composite and aluminum, a flat plate and a cylinder, are fabricated and the residual stresses are quantified through the measurement of deformation. Then, in the process of validating the developed modeling approach with the experimental residual stress data, manufacturing process simulations of the two simple structures are developed and undergo a formal verification and validation process, including a mesh

  2. Crop residue decomposition in Minnesota biochar-amended plots

    Science.gov (United States)

    Weyers, S. L.; Spokas, K. A.

    2014-06-01

    Impacts of biochar application at laboratory scales are routinely studied, but impacts of biochar application on decomposition of crop residues at field scales have not been widely addressed. The priming or hindrance of crop residue decomposition could have a cascading impact on soil processes, particularly those influencing nutrient availability. Our objectives were to evaluate biochar effects on field decomposition of crop residue, using plots that were amended with biochars made from different plant-based feedstocks and pyrolysis platforms in the fall of 2008. Litterbags containing wheat straw material were buried in July of 2011 below the soil surface in a continuous-corn cropped field in plots that had received one of seven different biochar amendments or a uncharred wood-pellet amendment 2.5 yr prior to start of this study. Litterbags were collected over the course of 14 weeks. Microbial biomass was assessed in treatment plots the previous fall. Though first-order decomposition rate constants were positively correlated to microbial biomass, neither parameter was statistically affected by biochar or wood-pellet treatments. The findings indicated only a residual of potentially positive and negative initial impacts of biochars on residue decomposition, which fit in line with established feedstock and pyrolysis influences. Overall, these findings indicate that no significant alteration in the microbial dynamics of the soil decomposer communities occurred as a consequence of the application of plant-based biochars evaluated here.

  3. Crop residue decomposition in Minnesota biochar amended plots

    Science.gov (United States)

    Weyers, S. L.; Spokas, K. A.

    2014-02-01

    Impacts of biochar application at laboratory scales are routinely studied, but impacts of biochar application on decomposition of crop residues at field scales have not been widely addressed. The priming or hindrance of crop residue decomposition could have a cascading impact on soil processes, particularly those influencing nutrient availability. Our objectives were to evaluate biochar effects on field decomposition of crop residue, using plots that were amended with biochars made from different feedstocks and pyrolysis platforms prior to the start of this study. Litterbags containing wheat straw material were buried below the soil surface in a continuous-corn cropped field in plots that had received one of seven different biochar amendments or a non-charred wood pellet amendment 2.5 yr prior to start of this study. Litterbags were collected over the course of 14 weeks. Microbial biomass was assessed in treatment plots the previous fall. Though first-order decomposition rate constants were positively correlated to microbial biomass, neither parameter was statistically affected by biochar or wood-pellet treatments. The findings indicated only a residual of potentially positive and negative initial impacts of biochars on residue decomposition, which fit in line with established feedstock and pyrolysis influences. Though no significant impacts were observed with field-weathered biochars, effective soil management may yet have to account for repeat applications of biochar.

  4. Statistically generated weighted curve fit of residual functions for modal analysis of structures

    Science.gov (United States)

    Bookout, P. S.

    1995-01-01

    A statistically generated weighting function for a second-order polynomial curve fit of residual functions has been developed. The residual flexibility test method, from which a residual function is generated, is a procedure for modal testing large structures in an external constraint-free environment to measure the effects of higher order modes and interface stiffness. This test method is applicable to structures with distinct degree-of-freedom interfaces to other system components. A theoretical residual function in the displacement/force domain has the characteristics of a relatively flat line in the lower frequencies and a slight upward curvature in the higher frequency range. In the test residual function, the above-mentioned characteristics can be seen in the data, but due to the present limitations in the modal parameter evaluation (natural frequencies and mode shapes) of test data, the residual function has regions of ragged data. A second order polynomial curve fit is required to obtain the residual flexibility term. A weighting function of the data is generated by examining the variances between neighboring data points. From a weighted second-order polynomial curve fit, an accurate residual flexibility value can be obtained. The residual flexibility value and free-free modes from testing are used to improve a mathematical model of the structure. The residual flexibility modal test method is applied to a straight beam with a trunnion appendage and a space shuttle payload pallet simulator.

  5. 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 ...

  6. Aromatic residues located close to the active center are essential for the catalytic reaction of flap endonuclease-1 from hyperthermophilic archaeon Pyrococcus horikoshii.

    Science.gov (United States)

    Matsui, Eriko; Abe, Junko; Yokoyama, Hideshi; Matsui, Ikuo

    2004-04-16

    Flap endonuclease-1 (FEN-1) possessing 5'-flap endonuclease and 5'-->3' exonuclease activity plays important roles in DNA replication and repair. In this study, the kinetic parameters of mutants at highly conserved aromatic residues, Tyr33, Phe35, Phe79, and Phe278-Phe279, in the vicinity of the catalytic centers of FEN-1 were examined. The substitution of these aromatic residues with alanine led to a large reduction in kcat values, although these mutants retained Km values similar to that of the wild-type enzyme. Notably, the kcat of Y33A and F79A decreased 333-fold and 71-fold, respectively, compared with that of the wild-type enzyme. The aromatic residues Tyr33 and Phe79, and the aromatic cluster Phe278-Phe279 mainly contributed to the recognition of the substrates without the 3' projection of the upstream strand (the nick, 5'-recess-end, single-flap, and pseudo-Y substrates) for the both exo- and endo-activities, but played minor roles in recognizing the substrates with the 3' projection (the double flap substrate and the nick substrate with the 3' projection). The replacement of Tyr33, Phe79, and Phe278-Phe279, with non-charged aromatic residues, but not with aliphatic hydrophobic residues, recovered the kcat values almost fully for the substrates without the 3' projection of the upstream strand, suggesting that the aromatic groups of Tyr33, Phe79, and Phe278-Phe279 might be involved in the catalytic reaction, probably via multiple stacking interactions with nucleotide bases. The stacking interactions of Tyr33 and Phe79 might play important roles in fixing the template strand and the downstream strand, respectively, in close proximity to the active center to achieve the productive transient state leading to the hydrolysis.

  7. Numerical Analysis of Particle Interactions with Nuclei in the Framework of Quantum Molecular Dynamic Model

    CERN Document Server

    Amirkhanov, I V; Zemlyanaya, E V; Polanski, A; Puzynina, T P; Uzhinsky, V V

    2004-01-01

    Combinations of the QMD model with various models of nuclear residual de-excitation are considered. The QMD model parameters are fitted; neutron spectra in hadron-nucleus interactions are calculated. The numerical results were compared with analogous calculations by the cascade-evaporation model and with experimental data. The comparison shows that the numerical results are in agreement between each other and with the experimental data for the energies of projectile particles lower than 200-300 MeV for fast neutrons. Cross-sections of isotope yields in the neutron interactions with radioactive iodine, americium, plutonium and others isotopes have been calculated.

  8. Residual life estimation of electrical insulation system for rotating equipment

    International Nuclear Information System (INIS)

    Vashishtha, Y.D.; Gupta, A.K.; Bhattacharyya, A.K.; Verma, A.K.

    1994-01-01

    Residual life assessment gains significance towards the end of designed life for granting plant life extensions and resource planning for costly equipment replacement. A critical review of all the diagnostic techniques presently used to assess either health of insulation system or to infer qualitatively the remaining life for rotating machines is presented. However more emphasis is required on developing quantitative methods. This paper also formulates the experimental plan for progressively censored ageing tests, measurement of partial discharge parameters, micro-structural study for delamination and electrical tree growth and measurement of electrical breakdown strength. Partial discharge (PD) patterns, electrical tree growth and time to failure data shall be taken as training set for the neural network learning which can be useful to predict residual life with only one candidate parameter i.e. PD patterns. (author). 9 refs

  9. Modeling of residual stress state in turning of 304L

    International Nuclear Information System (INIS)

    Valiorgue, F.; Rech, J.; Bergheau, J.M.

    2010-01-01

    Research presented in this paper aims to link machining parameters to residual stress state and helps understanding mechanisms responsible of machined surface properties modifications. The first presented works are based on an experimental campaign. They reproduce the finishing turning operation of 304L and allow observing the residual stress state evolution at the work piece surface and for an affected depth of 0.2 mm for such processes. Then, the finishing turning operation is simulated numerically in order to realize the same sensitivity study to cutting parameters. This simulation is based on an hybrid approach mixing experimental data and numerical simulation. This method allows getting round the classical difficulties of turning simulation by applying equivalent thermo mechanical loadings onto the work piece surface without modeling the material separation phenomena. Moreover the numerical model uses an hardening law taking into account dynamic recrystallization phenomena. (authors)

  10. 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

  11. Residue management at Rocky Flats

    International Nuclear Information System (INIS)

    Olencz, J.

    1995-01-01

    Past plutonium production and manufacturing operations conducted at the Rocky Flats Environmental Technology Site (RFETS) produced a variety of plutonium-contaminated by-product materials. Residues are a category of these materials and were categorized as open-quotes materials in-processclose quotes to be recovered due to their inherent plutonium concentrations. In 1989 all RFETS plutonium production and manufacturing operations were curtailed. This report describes the management of plutonium bearing liquid and solid wastes

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

    Science.gov (United States)

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

    2015-09-01

    Mineral carbonation of serpentinite mining residue offers an environmentally secure and permanent storage of carbon dioxide. The strategy of using readily available mining residue for the direct treatment of flue gas could improve the energy demand and economics of CO2 sequestration by avoiding