WorldWideScience

Sample records for residues structural parameters

  1. 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…

  2. 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.

  3. Residual strength evaluation of concrete structural components ...

    Indian Academy of Sciences (India)

    This paper presents methodologies for residual strength evaluation of concrete structural components using linear elastic and nonlinear fracture mechanics principles. The effect of cohesive forces due to aggregate bridging has been represented mathematically by employing tension softening models. Various tension ...

  4. Structural characterization of asphaltenes from vacuum residue distillation

    International Nuclear Information System (INIS)

    Silva, Ronaldo C.; Seidl, Peter R.; Menezes, Sonia M.C. de; Teixeira, Marco A.G.

    2001-01-01

    The aim of this work was to do structural characterization of asphaltenes from different vacuum residues distillation. Several average molecular parameters using some analytical techniques were obtained and these techniques were: nuclear magnetic resonance ( 1 H and 13 C NMR), elemental analysis (C,H,N,O and S content), Fourier transform infrared (FT-IR), vapor pressure osmometry and gel permeation chromatography. Particularly from NMR, some important molecular parameters were obtained, such as aromatic carbon fraction, aliphatic carbons fraction, alkyl substituted aromatic carbons, unsubstituted aromatic carbons, etc. Molecular modeling will be employed to build the structure of asphaltenes using the experimental data. (author)

  5. Uncertainties of Molecular Structural Parameters

    International Nuclear Information System (INIS)

    Császár, Attila G.

    2014-01-01

    Full text: The most fundamental property of a molecule is its three-dimensional (3D) structure formed by its constituent atoms (see, e.g., the perfectly regular hexagon associated with benzene). It is generally accepted that knowledge of the detailed structure of a molecule is a prerequisite to determine most of its other properties. What nowadays is a seemingly simple concept, namely that molecules have a structure, was introduced into chemistry in the 19th century. Naturally, the word changed its meaning over the years. Elemental analysis, simple structural formulae, two-dimensional and then 3D structures mark the development of the concept to its modern meaning. When quantum physics and quantum chemistry emerged in the 1920s, the simple concept associating structure with a three-dimensional object seemingly gained a firm support. Nevertheless, what seems self-explanatory today is in fact not so straightforward to justify within quantum mechanics. In quantum chemistry the concept of an equilibrium structure of a molecule is tied to the Born-Oppenheimer approximation but beyond the adiabatic separation of the motions of the nuclei and the electrons the meaning of a structure is still slightly obscured. Putting the conceptual difficulties aside, there are several experimental, empirical, and theoretical techniques to determine structures of molecules. One particular problem, strongly related to the question of uncertainties of “measured” or “computed” structural parameters, is that all the different techniques correspond to different structure definitions and thus yield different structural parameters. Experiments probing the structure of molecules rely on a number of structure definitions, to name just a few: r_0, r_g, r_a, r_s, r_m, etc., and one should also consider the temperature dependence of most of these structural parameters which differ from each other in the way the rovibrational motions of the molecules are treated and how the averaging is

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

    Directory of Open Access Journals (Sweden)

    Yu-Tung Chien

    2013-01-01

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

  7. 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

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

    Science.gov (United States)

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

    2012-01-01

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

  9. 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

  10. Residual Strength Characterization of Unitized Structures Fabricated Using Different Manufacturing Technologies

    Science.gov (United States)

    Seshadri, B. R.; Smith, S. W.; Johnston, W. M.

    2008-01-01

    This viewgraph presentation describes residual strength analysis of integral structures fabricated using different manufacturing procedures. The topics include: 1) Built-up and Integral Structures; 2) Development of Prediction Methodology for Integral Structures Fabricated using different Manufacturing Procedures; 3) Testing Facility; 4) Fracture Parameters Definition; 5) Crack Branching in Integral Structures; 6) Results and Discussion; and 7) Concluding Remarks.

  11. 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.

  12. 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.

  13. 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.

  14. 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...

  15. Epimorphisms in Varieties of Residuated Structures

    Czech Academy of Sciences Publication Activity Database

    Bezhanishvili, G.; Moraschini, Tommaso; Raftery, J.G.

    2017-01-01

    Roč. 492, 15 December (2017), s. 185-211 ISSN 0021-8693 R&D Projects: GA ČR GA17-04630S Institutional support: RVO:67985807 Keywords : Epimorphism * Brouwerian algebra * Heyting algebra * Esakia space * Residuated lattice * Sugihara monoid * Substructural logic * Intuitionistic logic * Relevance logic * R-mingle * Beth definability Subject RIV: BA - General Mathematics OBOR OECD: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8) Impact factor: 0.610, year: 2016

  16. Parameter identification of civil engineering structures

    Science.gov (United States)

    Juang, J. N.; Sun, C. T.

    1980-01-01

    This paper concerns the development of an identification method required in determining structural parameter variations for systems subjected to an extended exposure to the environment. The concept of structural identifiability of a large scale structural system in the absence of damping is presented. Three criteria are established indicating that a large number of system parameters (the coefficient parameters of the differential equations) can be identified by a few actuators and sensors. An eight-bay-fifteen-story frame structure is used as example. A simple model is employed for analyzing the dynamic response of the frame structure.

  17. Residual strength evaluation of concrete structural components ...

    Indian Academy of Sciences (India)

    fundamental material parameters that can be determined for use in design or evaluation. ... of plain and reinforced concrete beams using fracture mechanics principles. Design equations ... components accounting for tension softening effect.

  18. An adjoint method of sensitivity analysis for residual vibrations of structures subject to impacts

    Science.gov (United States)

    Yan, Kun; Cheng, Gengdong

    2018-03-01

    For structures subject to impact loads, the residual vibration reduction is more and more important as the machines become faster and lighter. An efficient sensitivity analysis of residual vibration with respect to structural or operational parameters is indispensable for using a gradient based optimization algorithm, which reduces the residual vibration in either active or passive way. In this paper, an integrated quadratic performance index is used as the measure of the residual vibration, since it globally measures the residual vibration response and its calculation can be simplified greatly with Lyapunov equation. Several sensitivity analysis approaches for performance index were developed based on the assumption that the initial excitations of residual vibration were given and independent of structural design. Since the resulting excitations by the impact load often depend on structural design, this paper aims to propose a new efficient sensitivity analysis method for residual vibration of structures subject to impacts to consider the dependence. The new method is developed by combining two existing methods and using adjoint variable approach. Three numerical examples are carried out and demonstrate the accuracy of the proposed method. The numerical results show that the dependence of initial excitations on structural design variables may strongly affects the accuracy of sensitivities.

  19. 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

  20. Structured LDPC Codes over Integer Residue Rings

    Directory of Open Access Journals (Sweden)

    Marc A. Armand

    2008-07-01

    Full Text Available This paper presents a new class of low-density parity-check (LDPC codes over ℤ2a represented by regular, structured Tanner graphs. These graphs are constructed using Latin squares defined over a multiplicative group of a Galois ring, rather than a finite field. Our approach yields codes for a wide range of code rates and more importantly, codes whose minimum pseudocodeword weights equal their minimum Hamming distances. Simulation studies show that these structured codes, when transmitted using matched signal sets over an additive-white-Gaussian-noise channel, can outperform their random counterparts of similar length and rate.

  1. Structured LDPC Codes over Integer Residue Rings

    Directory of Open Access Journals (Sweden)

    Mo Elisa

    2008-01-01

    Full Text Available Abstract This paper presents a new class of low-density parity-check (LDPC codes over represented by regular, structured Tanner graphs. These graphs are constructed using Latin squares defined over a multiplicative group of a Galois ring, rather than a finite field. Our approach yields codes for a wide range of code rates and more importantly, codes whose minimum pseudocodeword weights equal their minimum Hamming distances. Simulation studies show that these structured codes, when transmitted using matched signal sets over an additive-white-Gaussian-noise channel, can outperform their random counterparts of similar length and rate.

  2. 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

  3. 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...

  4. Dynamic response of structures with uncertain parameters

    International Nuclear Information System (INIS)

    Cai, Z H; Liu, Y; Yang, Y

    2010-01-01

    In this paper, an interval method for the dynamic response of structures with uncertain parameters is presented. In the presented method, the structural physical and geometric parameters and loads can be considered as interval variables. The structural stiffness matrix, mass matrix and loading vectors are described as the sum of two parts corresponding to the deterministic matrix and the uncertainty of the interval parameters. The interval problem is then transformed into approximate deterministic one. The Laplace transform is used to transform the equations of the dynamic system into linear algebra equations. The Maclaurin series expansion is applied on the modified dynamic equation in order to deal with the linear algebra equations. Numerical examples are studied by the presented interval method for the cases with and without damping. The upper bound and lower bound of the dynamic responses of the examples are compared, and it shows that the presented method is effective.

  5. Fatigue behaviour of 304L steel welded structures: influence of residual stresses and surface mechanical finishing

    International Nuclear Information System (INIS)

    Magnier-Monin, L.

    2007-12-01

    This study focuses on the influence of residual stresses and surface mechanical finishing on lifetime of stainless steel 304L welded structures. Residual stresses are determined on specific specimens of three types: base-metal, as-welded and ground-welded specimens. Each type is submitted to fatigue tests in order to assess the influence of these parameters on the lifetime, and to determine their evolution. The experiments show that an important surface stress concentration is located in the weld root of as-welded structures, which has a negative effect on the fatigue life. The grinding operation generates high-level surface residual stresses but the lifetime is higher thanks to the reduction of the notch effect. The fatigue test results are compared to the nuclear industry best-fit S-N curves. This enables the determination of correction factors related to fatigue test results of polished specimens, and to assess the lifetime of structures. (author)

  6. Residual life estimation of cracked aircraft structural components

    OpenAIRE

    Maksimović, Mirko S.; Vasović, Ivana V.; Maksimović, Katarina S.; Trišović, Nataša; Maksimović, Stevan M.

    2018-01-01

    The subject of this investigation is focused on developing computation procedure for strength analysis of damaged aircraft structural components with respect to fatigue and fracture mechanics. For that purpose, here will be defined computation procedures for residual life estimation of aircraft structural components such as wing skin and attachment lugs under cyclic loads of constant amplitude and load spectrum. A special aspect of this investigation is based on using of the Strain Energy Den...

  7. Residual stress improving method for reactor structural component and residual stress improving device therefor

    Energy Technology Data Exchange (ETDEWEB)

    Enomoto, Kunio; Otaka, Masahiro; Kurosawa, Koichi; Saito, Hideyo; Tsujimura, Hiroshi; Tamai, Yasukata; Urashiro, Keiichi; Mochizuki, Masato

    1996-09-03

    The present invention is applied to a BWR type reactor, in which a high speed jetting flow incorporating cavities is collided against the surface of reactor structural components to form residual compression stresses on the surface layer of the reactor structural components thereby improving the stresses on the surface. Namely, a water jetting means is inserted into the reactor container filled with reactor water. Purified water is pressurized by a pump and introduced to the water jetting means. The purified water jetted from the water jetting means and entraining cavities is abutted against the surface of the reactor structural components. With such procedures, since the purified water is introduced to the water jetting means by the pump, the pump is free from contamination of radioactive materials. As a result, maintenance and inspection for the pump can be facilitated. Further, since the purified water injection flow entraining cavities is abutted against the surface of the reactor structural components being in contact with reactor water, residual compression stresses are exerted on the surface of the reactor structural components. As a result, occurrence of stress corrosion crackings of reactor structural components is suppressed. (I.S.)

  8. Residual stress improving method for reactor structural component and residual stress improving device therefor

    International Nuclear Information System (INIS)

    Enomoto, Kunio; Otaka, Masahiro; Kurosawa, Koichi; Saito, Hideyo; Tsujimura, Hiroshi; Tamai, Yasukata; Urashiro, Keiichi; Mochizuki, Masato.

    1996-01-01

    The present invention is applied to a BWR type reactor, in which a high speed jetting flow incorporating cavities is collided against the surface of reactor structural components to form residual compression stresses on the surface layer of the reactor structural components thereby improving the stresses on the surface. Namely, a water jetting means is inserted into the reactor container filled with reactor water. Purified water is pressurized by a pump and introduced to the water jetting means. The purified water jetted from the water jetting means and entraining cavities is abutted against the surface of the reactor structural components. With such procedures, since the purified water is introduced to the water jetting means by the pump, the pump is free from contamination of radioactive materials. As a result, maintenance and inspection for the pump can be facilitated. Further, since the purified water injection flow entraining cavities is abutted against the surface of the reactor structural components being in contact with reactor water, residual compression stresses are exerted on the surface of the reactor structural components. As a result, occurrence of stress corrosion crackings of reactor structural components is suppressed. (I.S.)

  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. 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

  11. RANDOM FUNCTIONS AND INTERVAL METHOD FOR PREDICTING THE RESIDUAL RESOURCE OF BUILDING STRUCTURES

    Directory of Open Access Journals (Sweden)

    Shmelev Gennadiy Dmitrievich

    2017-11-01

    Full Text Available Subject: possibility of using random functions and interval prediction method for estimating the residual life of building structures in the currently used buildings. Research objectives: coordination of ranges of values to develop predictions and random functions that characterize the processes being predicted. Materials and methods: when performing this research, the method of random functions and the method of interval prediction were used. Results: in the course of this work, the basic properties of random functions, including the properties of families of random functions, are studied. The coordination of time-varying impacts and loads on building structures is considered from the viewpoint of their influence on structures and representation of the structures’ behavior in the form of random functions. Several models of random functions are proposed for predicting individual parameters of structures. For each of the proposed models, its scope of application is defined. The article notes that the considered approach of forecasting has been used many times at various sites. In addition, the available results allowed the authors to develop a methodology for assessing the technical condition and residual life of building structures for the currently used facilities. Conclusions: we studied the possibility of using random functions and processes for the purposes of forecasting the residual service lives of structures in buildings and engineering constructions. We considered the possibility of using an interval forecasting approach to estimate changes in defining parameters of building structures and their technical condition. A comprehensive technique for forecasting the residual life of building structures using the interval approach is proposed.

  12. 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.

  13. 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.

  14. 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...

  15. Residual stress measurements in thick structural weldments by means of neutron diffraction

    International Nuclear Information System (INIS)

    Ohms, C.; Youtsos, A.G.; Idsert, P. v.d.; Timke, T.

    2000-01-01

    Welding residual stresses in large structural components are a major concern with respect to their performance and lifetime. In large structures reasonable thermal stress relief treatment is usually impossible due to the component size. On the other hand, prediction of welding stresses by numerical modelling has not yet proven to be generally reliable, while the experimental determination of such stresses remains a demanding task. At the high flux reactor (HFR), Petten, a new residual stress diffractometer has been installed recently capable of handling of components up to 1000 kg - the large component neutron diffraction facility (LCNDF). It has facilitated residual stress measurements in two large welded components, of which results are presented here. The first component represents a bi-metallic weld in form of a pipe of 25 mm wall thickness. Three dimensional measurements of residual stress are discussed in detail. The second specimen is a 66 mm wall thickness austenitic steel nuclear piping weld. Results on relief of strain within the weld through post weld heat treatment (PWHT) are presented. Additionally results obtained earlier at former CRNL (CAN) on a section of a thick nuclear piping weld are presented in order to illustrate the variation in the reference lattice parameter trough the weld and the heat affected zone (HAZ). These results clearly show the necessity to determine the reference parameters for each location in all measurement directions by means of measurements in small coupons free of macro-stresses. (orig.)

  16. 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.

  17. Chemical structure investigation on SFEF fractions of Dagang vacuum residue

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Z.; Yan, G.; Zhao, S.; Guo, S. [China Univ. of Petroleum, Beijing (China). State Key Laboratory of Heavy Oil Processing; Zhang, Z. [Beijing Aeronautical Technology Research Center, Beijing (China)

    2006-07-01

    One of the most important problems in petroleum chemistry is the molecular structure and composition of heavy oil fractions and its importance in applications pertaining to the recovery, refining, and upgrading of petroleum. This paper presented an investigation into the chemical structure on supercritical fluid extraction and fraction (SFEF) factions of Dagang vacuum residue. Dagang vacuum residue was cut into sixteen fractions and a tailing with SFEF instrument. Then, using a chromatography, all SFEF fractions were further separated into four group compositions, notably saturated hydrocarbons, aromatic hydrocarbons, resins and asphaltenes (SARA). Last, the chemical structure was explored through a thorough analysis of the products from the ruthenium ions-catalyzed oxidation (RICO) reaction of those aromatics, resins and asphaltenes. The paper discussed the experiment in terms of samples and chemicals; supercritical fluid extraction and fraction; SARA separation; and RICO. The results and discussions focused on alkyl side chains attached to aromatic carbon; polymethylene bridges connecting two aromatic units; benzenecarboxylic acids an aromatic units; and others. The study has brought to light useful characterization on covalent molecular structure of two typical SFEF fractions, notably the tenth and fifteen fraction. 17 refs., 6 tabs., 16 figs., 1 appendix.

  18. 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

  19. 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...

  20. 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.

  1. 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.

  2. Defining an essence of structure determining residue contacts in proteins.

    Science.gov (United States)

    Sathyapriya, R; Duarte, Jose M; Stehr, Henning; Filippis, Ioannis; Lappe, Michael

    2009-12-01

    The network of native non-covalent residue contacts determines the three-dimensional structure of a protein. However, not all contacts are of equal structural significance, and little knowledge exists about a minimal, yet sufficient, subset required to define the global features of a protein. Characterisation of this "structural essence" has remained elusive so far: no algorithmic strategy has been devised to-date that could outperform a random selection in terms of 3D reconstruction accuracy (measured as the Ca RMSD). It is not only of theoretical interest (i.e., for design of advanced statistical potentials) to identify the number and nature of essential native contacts-such a subset of spatial constraints is very useful in a number of novel experimental methods (like EPR) which rely heavily on constraint-based protein modelling. To derive accurate three-dimensional models from distance constraints, we implemented a reconstruction pipeline using distance geometry. We selected a test-set of 12 protein structures from the four major SCOP fold classes and performed our reconstruction analysis. As a reference set, series of random subsets (ranging from 10% to 90% of native contacts) are generated for each protein, and the reconstruction accuracy is computed for each subset. We have developed a rational strategy, termed "cone-peeling" that combines sequence features and network descriptors to select minimal subsets that outperform the reference sets. We present, for the first time, a rational strategy to derive a structural essence of residue contacts and provide an estimate of the size of this minimal subset. Our algorithm computes sparse subsets capable of determining the tertiary structure at approximately 4.8 A Ca RMSD with as little as 8% of the native contacts (Ca-Ca and Cb-Cb). At the same time, a randomly chosen subset of native contacts needs about twice as many contacts to reach the same level of accuracy. This "structural essence" opens new avenues in the

  3. 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.

  4. 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.

  5. 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.

  6. 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…

  7. Residual Generation for the Ship Benchmark Using Structural Approach

    DEFF Research Database (Denmark)

    Cocquempot, V.; Izadi-Zamanabadi, Roozbeh; Staroswiecki, M

    1998-01-01

    The prime objective of Fault-tolerant Control (FTC) systems is to handle faults and discrepancies using appropriate accommodation policies. The issue of obtaining information about various parameters and signals, which have to be monitored for fault detection purposes, becomes a rigorous task...... with the growing number of subsystems. The structural approach, presented in this paper, constitutes a general framework for providing information when the system becomes complex. The methodology of this approach is illustrated on the ship propulsion benchmark....

  8. Improved computation method in residual life estimation of structural components

    Directory of Open Access Journals (Sweden)

    Maksimović Stevan M.

    2013-01-01

    Full Text Available This work considers the numerical computation methods and procedures for the fatigue crack growth predicting of cracked notched structural components. Computation method is based on fatigue life prediction using the strain energy density approach. Based on the strain energy density (SED theory, a fatigue crack growth model is developed to predict the lifetime of fatigue crack growth for single or mixed mode cracks. The model is based on an equation expressed in terms of low cycle fatigue parameters. Attention is focused on crack growth analysis of structural components under variable amplitude loads. Crack growth is largely influenced by the effect of the plastic zone at the front of the crack. To obtain efficient computation model plasticity-induced crack closure phenomenon is considered during fatigue crack growth. The use of the strain energy density method is efficient for fatigue crack growth prediction under cyclic loading in damaged structural components. Strain energy density method is easy for engineering applications since it does not require any additional determination of fatigue parameters (those would need to be separately determined for fatigue crack propagation phase, and low cyclic fatigue parameters are used instead. Accurate determination of fatigue crack closure has been a complex task for years. The influence of this phenomenon can be considered by means of experimental and numerical methods. Both of these models are considered. Finite element analysis (FEA has been shown to be a powerful and useful tool1,6 to analyze crack growth and crack closure effects. Computation results are compared with available experimental results. [Projekat Ministarstva nauke Republike Srbije, br. OI 174001

  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. Model-based leakage localization in drinking water distribution networks using structured residuals

    OpenAIRE

    Puig Cayuela, Vicenç; Rosich, Albert

    2013-01-01

    In this paper, a new model based approach to leakage localization in drinking water networks is proposed based on generating a set of structured residuals. The residual evaluation is based on a numerical method based on an enhanced Newton-Raphson algorithm. The proposed method is suitable for water network systems because the non-linearities of the model make impossible to derive analytical residuals. Furthermore, the computed residuals are designed so that leaks are decoupled, which impro...

  11. Automated Modal Parameter Estimation of Civil Engineering Structures

    DEFF Research Database (Denmark)

    Andersen, Palle; Brincker, Rune; Goursat, Maurice

    In this paper the problems of doing automatic modal parameter extraction of ambient excited civil engineering structures is considered. Two different approaches for obtaining the modal parameters automatically are presented: The Frequency Domain Decomposition (FDD) technique and a correlation...

  12. CAB-Align: A Flexible Protein Structure Alignment Method Based on the Residue-Residue Contact Area.

    Directory of Open Access Journals (Sweden)

    Genki Terashi

    Full Text Available Proteins are flexible, and this flexibility has an essential functional role. Flexibility can be observed in loop regions, rearrangements between secondary structure elements, and conformational changes between entire domains. However, most protein structure alignment methods treat protein structures as rigid bodies. Thus, these methods fail to identify the equivalences of residue pairs in regions with flexibility. In this study, we considered that the evolutionary relationship between proteins corresponds directly to the residue-residue physical contacts rather than the three-dimensional (3D coordinates of proteins. Thus, we developed a new protein structure alignment method, contact area-based alignment (CAB-align, which uses the residue-residue contact area to identify regions of similarity. The main purpose of CAB-align is to identify homologous relationships at the residue level between related protein structures. The CAB-align procedure comprises two main steps: First, a rigid-body alignment method based on local and global 3D structure superposition is employed to generate a sufficient number of initial alignments. Then, iterative dynamic programming is executed to find the optimal alignment. We evaluated the performance and advantages of CAB-align based on four main points: (1 agreement with the gold standard alignment, (2 alignment quality based on an evolutionary relationship without 3D coordinate superposition, (3 consistency of the multiple alignments, and (4 classification agreement with the gold standard classification. Comparisons of CAB-align with other state-of-the-art protein structure alignment methods (TM-align, FATCAT, and DaliLite using our benchmark dataset showed that CAB-align performed robustly in obtaining high-quality alignments and generating consistent multiple alignments with high coverage and accuracy rates, and it performed extremely well when discriminating between homologous and nonhomologous pairs of proteins

  13. CAB-Align: A Flexible Protein Structure Alignment Method Based on the Residue-Residue Contact Area.

    Science.gov (United States)

    Terashi, Genki; Takeda-Shitaka, Mayuko

    2015-01-01

    Proteins are flexible, and this flexibility has an essential functional role. Flexibility can be observed in loop regions, rearrangements between secondary structure elements, and conformational changes between entire domains. However, most protein structure alignment methods treat protein structures as rigid bodies. Thus, these methods fail to identify the equivalences of residue pairs in regions with flexibility. In this study, we considered that the evolutionary relationship between proteins corresponds directly to the residue-residue physical contacts rather than the three-dimensional (3D) coordinates of proteins. Thus, we developed a new protein structure alignment method, contact area-based alignment (CAB-align), which uses the residue-residue contact area to identify regions of similarity. The main purpose of CAB-align is to identify homologous relationships at the residue level between related protein structures. The CAB-align procedure comprises two main steps: First, a rigid-body alignment method based on local and global 3D structure superposition is employed to generate a sufficient number of initial alignments. Then, iterative dynamic programming is executed to find the optimal alignment. We evaluated the performance and advantages of CAB-align based on four main points: (1) agreement with the gold standard alignment, (2) alignment quality based on an evolutionary relationship without 3D coordinate superposition, (3) consistency of the multiple alignments, and (4) classification agreement with the gold standard classification. Comparisons of CAB-align with other state-of-the-art protein structure alignment methods (TM-align, FATCAT, and DaliLite) using our benchmark dataset showed that CAB-align performed robustly in obtaining high-quality alignments and generating consistent multiple alignments with high coverage and accuracy rates, and it performed extremely well when discriminating between homologous and nonhomologous pairs of proteins in both

  14. Structural and electronic parameters of ferroelectric KWOF

    Science.gov (United States)

    Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Aleksandrov, K. S.

    2010-11-01

    The low-temperature ferroelectric G2 polymorph of K 3WO 3F 3 oxyfluoride is formed by chemical synthesis. The electronic parameters of G2-K 3WO 3F 3 have been measured by X-ray photoelectron spectroscopy under excitation with Al Kα radiation (1486.6 eV). Detailed spectra have been recorded for all element core levels and Auger lines. The chemical bonding effects in the WO 3F 3 and WO 6 octahedrons are considered by using the binding energy difference ΔBE(O-W)=BE(O 1s)-BE(W 4f).

  15. 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.

  16. 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.

  17. 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)

  18. 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.

  19. Structure, microstructure and residual stresses in borided steels

    Czech Academy of Sciences Publication Activity Database

    Pala, Z.; Mušálek, Radek; Kyncl, J.; Harcuba, P.; Stráský, J.; Kolařík, K.

    2013-01-01

    Roč. 20, č. 2 (2013), s. 93-95 ISSN 1211-5894. [Struktura 2013 - Kolokvium Krystalografické společnosti. Češkovice (Blansko), 09.09.2013-13.09.2013] Institutional support: RVO:61389021 Keywords : boriding * surface hardening * iron borides * tooth-shaped microstructure * residual stresses Subject RIV: JK - Corrosion ; Surface Treatment of Materials http://www.xray.cz/ms/bul2013-2/s6.pdf

  20. 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...

  1. 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...

  2. 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.

  3. Neglect Of Parameter Estimation Uncertainty Can Significantly Overestimate Structural Reliability

    Directory of Open Access Journals (Sweden)

    Rózsás Árpád

    2015-12-01

    Full Text Available Parameter estimation uncertainty is often neglected in reliability studies, i.e. point estimates of distribution parameters are used for representative fractiles, and in probabilistic models. A numerical example examines the effect of this uncertainty on structural reliability using Bayesian statistics. The study reveals that the neglect of parameter estimation uncertainty might lead to an order of magnitude underestimation of failure probability.

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

    Science.gov (United States)

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

    2016-11-01

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

  5. Structural parameter identifiability analysis for dynamic reaction networks

    DEFF Research Database (Denmark)

    Davidescu, Florin Paul; Jørgensen, Sten Bay

    2008-01-01

    method based on Lie derivatives. The proposed systematic two phase methodology is illustrated on a mass action based model for an enzymatically catalyzed reaction pathway network where only a limited set of variables is measured. The methodology clearly pinpoints the structurally identifiable parameters...... where for a given set of measured variables it is desirable to investigate which parameters may be estimated prior to spending computational effort on the actual estimation. This contribution addresses the structural parameter identifiability problem for the typical case of reaction network models....... The proposed analysis is performed in two phases. The first phase determines the structurally identifiable reaction rates based on reaction network stoichiometry. The second phase assesses the structural parameter identifiability of the specific kinetic rate expressions using a generating series expansion...

  6. Effect of pretreatment on biomass residue structure and the application of pyrolysed and composted biomass residues in soilless culture.

    Directory of Open Access Journals (Sweden)

    Linna Suo

    Full Text Available The changes in the structural characteristics of biomass residues during pyrolysis and composting were investigated. The biomass residues particles were prepared by pyrolysing at temperatures ranging from 350 to 400. For soilless production of the ornamental plant Anthurium andraeanum, pure sphagnum peat moss (P has traditionally been used as the growing medium. This use of P must be reduced, however, because P is an expensive and nonrenewable resource. The current study investigated the use of biomass residues as substitutes for P in A. andraeanum production. Plants were grown for 15 months in 10 soilless media that contained different proportions of pyrolysed corn cobs (PC, composted corn cobs (C, pyrolysed garden wastes (PG, and P. Although the media altered the plant nutrient content, A. andraeanum growth, development, and yield were similar with media consisting of 50% P+50% PC, 50% P+35% PC+15% PG, and 100% P. This finding indicates that, when pyrolysed, organic wastes, which are otherwise an environmental problem, can be used to reduce the requirement for peat in the soilless culture of A. andraeanum.

  7. 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

  8. Approaches for Modelling the Residual Service Life of Marine Concrete Structures

    Directory of Open Access Journals (Sweden)

    Amir Rahimi

    2014-01-01

    Full Text Available This paper deals with the service life design of existing reinforced concrete structures in a marine environment. The general procedure of condition assessment for estimating the residual service life of structures before a repair measure is illustrated. For assessment of the residual service life of structures which have undergone a repair measure a simplified mathematical model of chloride diffusion in a 2-layer system is presented. Preliminary probabilistic calculations demonstrate the effect of various conditions on the residual service life. First studies of the chloride diffusion in a 2-layer system have been conducted using the finite element method. Results of a long-term exposure test are presented to illustrate the performance of two different repair materials. The distribution of residual chlorides after application of a repair material is being studied in laboratory investigations. The residual chlorides migrate from the concrete layer into the new layer immediately after the repair material has been applied to the concrete member. The content and gradient of residual chlorides, along with the thickness and the chloride ingress resistance of both the remaining and the new layer of cover, will determine the residual service life of the repaired structures.

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

    Science.gov (United States)

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

    2017-09-01

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

  10. 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.

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  12. The influence of plate thickness on the welding residual stresses from submerged arc welding in offshore steel structures

    DEFF Research Database (Denmark)

    Andreassen, Michael Joachim; Yu, Zhenzhen; Liu, Stephen

    2017-01-01

    Welding-induced residual tensile stresses and distortion have become a major concern in relation to the structural integrity of welded structures within the offshore wind industry. The stresses have a negative impact on the integrity of the welded joint, as they promote distortion, reduce fatigue...... leading to a better understanding of the distribution and development of the welding residual stresses. This can later be used to optimize the fatigue design, providing a more efficient and improved design. In this context, the current research is expected to benefit the offshore industry by leading...... to an improved design, which consequently may be included in future norms and standards. Submerged Arc Welding (SAW) was used to make a fully penetrated butt weld in 10 mm and 40 mm thick steel plates with the same welding parameters as used in the production procedures. The base material is thermomechanical hot...

  13. Electron paramagnetic resonance parameters and local structure for ...

    Indian Academy of Sciences (India)

    HUA-MING ZHANG. 1. , GUANG-DUO LU. 1 ... the above ZFSs, the local structure information for the impurity Gd. 3+ is obtained, i.e., .... parameters, extended X-ray absorption fine-structure (EXAFS) measurements and crystal-field spectrum ...

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

    Directory of Open Access Journals (Sweden)

    Yushen Du

    2016-11-01

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

  15. Uncertainty in dual permeability model parameters for structured soils

    Science.gov (United States)

    Arora, B.; Mohanty, B. P.; McGuire, J. T.

    2012-01-01

    Successful application of dual permeability models (DPM) to predict contaminant transport is contingent upon measured or inversely estimated soil hydraulic and solute transport parameters. The difficulty in unique identification of parameters for the additional macropore- and matrix-macropore interface regions, and knowledge about requisite experimental data for DPM has not been resolved to date. Therefore, this study quantifies uncertainty in dual permeability model parameters of experimental soil columns with different macropore distributions (single macropore, and low- and high-density multiple macropores). Uncertainty evaluation is conducted using adaptive Markov chain Monte Carlo (AMCMC) and conventional Metropolis-Hastings (MH) algorithms while assuming 10 out of 17 parameters to be uncertain or random. Results indicate that AMCMC resolves parameter correlations and exhibits fast convergence for all DPM parameters while MH displays large posterior correlations for various parameters. This study demonstrates that the choice of parameter sampling algorithms is paramount in obtaining unique DPM parameters when information on covariance structure is lacking, or else additional information on parameter correlations must be supplied to resolve the problem of equifinality of DPM parameters. This study also highlights the placement and significance of matrix-macropore interface in flow experiments of soil columns with different macropore densities. Histograms for certain soil hydraulic parameters display tri-modal characteristics implying that macropores are drained first followed by the interface region and then by pores of the matrix domain in drainage experiments. Results indicate that hydraulic properties and behavior of the matrix-macropore interface is not only a function of saturated hydraulic conductivity of the macroporematrix interface (Ksa) and macropore tortuosity (lf) but also of other parameters of the matrix and macropore domains.

  16. Development of residual stress analysis procedure for fitness-for-service assessment of welded structure

    International Nuclear Information System (INIS)

    Kim, Jong Sung; Jin, Tae Eun; Dong, P.; Prager, M.

    2003-01-01

    In this study, a state of art review of existing residual stress analysis techniques and representative solutions is presented in order to develop the residual stress analysis procedure for Fitness-For-Service(FFS) assessment of welded structure. Critical issues associated with existing residual stress solutions and their treatments in performing FFS are discussed. It should be recognized that detailed residual stress evolution is an extremely complicated phenomenon that typically involves material-specific thermomechanical/metallurgical response, welding process physics, and structural interactions within a component being welded. As a result, computational procedures can vary significantly from highly complicated numerical techniques intended only to elucidate a small part of the process physics to cost-effective procedures that are deemed adequate for capturing some of the important features in a final residual stress distribution. Residual stress analysis procedure for FFS purposes belongs to the latter category. With this in mind, both residual stress analysis techniques and their adequacy for FFS are assessed based on both literature data and analyses performed in this investigation

  17. Efficient identification of critical residues based only on protein structure by network analysis.

    Directory of Open Access Journals (Sweden)

    Michael P Cusack

    2007-05-01

    Full Text Available Despite the increasing number of published protein structures, and the fact that each protein's function relies on its three-dimensional structure, there is limited access to automatic programs used for the identification of critical residues from the protein structure, compared with those based on protein sequence. Here we present a new algorithm based on network analysis applied exclusively on protein structures to identify critical residues. Our results show that this method identifies critical residues for protein function with high reliability and improves automatic sequence-based approaches and previous network-based approaches. The reliability of the method depends on the conformational diversity screened for the protein of interest. We have designed a web site to give access to this software at http://bis.ifc.unam.mx/jamming/. In summary, a new method is presented that relates critical residues for protein function with the most traversed residues in networks derived from protein structures. A unique feature of the method is the inclusion of the conformational diversity of proteins in the prediction, thus reproducing a basic feature of the structure/function relationship of proteins.

  18. Interplay between Peptide Bond Geometrical Parameters in Nonglobular Structural Contexts

    OpenAIRE

    Esposito, Luciana; Balasco, Nicole; De Simone, Alfonso; Berisio, Rita; Vitagliano, Luigi

    2013-01-01

    Several investigations performed in the last two decades have unveiled that geometrical parameters of protein backbone show a remarkable variability. Although these studies have provided interesting insights into one of the basic aspects of protein structure, they have been conducted on globular and water-soluble proteins. We report here a detailed analysis of backbone geometrical parameters in nonglobular proteins/peptides. We considered membrane proteins and two distinct fibrous systems (am...

  19. Prediction of residues in discontinuous B-cell epitopes using protein 3D structures

    DEFF Research Database (Denmark)

    Andersen, P.H.; Nielsen, Morten; Lund, Ole

    2006-01-01

    . We show that the new structure-based method has a better performance for predicting residues of discontinuous epitopes than methods based solely on sequence information, and that it can successfully predict epitope residues that have been identified by different techniques. DiscoTope detects 15...... experimental epitope mapping in both rational vaccine design and development of diagnostic tools, and may lead to more efficient epitope identification....

  20. Improved structural integrity through advances in reliable residual stress measurement: the impact of ENGIN-X

    Science.gov (United States)

    Edwards, L.; Santisteban, J. R.

    The determination of accurate reliable residual stresses is critical to many fields of structural integrity. Neutron stress measurement is a non-destructive technique that uniquely provides insights into stress fields deep within engineering components and structures. As such, it has become an increasingly important tool within engineering, leading to improved manufacturing processes to reduce stress and distortion as well as to the definition of more precise lifing procedures. This paper describes the likely impact of the next generation of dedicated engineering stress diffractometers currently being constructed and the utility of the technique using examples of residual stresses both beneficial and detrimental to structural integrity.

  1. 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.

  2. 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

  3. BLAST-based structural annotation of protein residues using Protein Data Bank.

    Science.gov (United States)

    Singh, Harinder; Raghava, Gajendra P S

    2016-01-25

    In the era of next-generation sequencing where thousands of genomes have been already sequenced; size of protein databases is growing with exponential rate. Structural annotation of these proteins is one of the biggest challenges for the computational biologist. Although, it is easy to perform BLAST search against Protein Data Bank (PDB) but it is difficult for a biologist to annotate protein residues from BLAST search. A web-server StarPDB has been developed for structural annotation of a protein based on its similarity with known protein structures. It uses standard BLAST software for performing similarity search of a query protein against protein structures in PDB. This server integrates wide range modules for assigning different types of annotation that includes, Secondary-structure, Accessible surface area, Tight-turns, DNA-RNA and Ligand modules. Secondary structure module allows users to predict regular secondary structure states to each residue in a protein. Accessible surface area predict the exposed or buried residues in a protein. Tight-turns module is designed to predict tight turns like beta-turns in a protein. DNA-RNA module developed for predicting DNA and RNA interacting residues in a protein. Similarly, Ligand module of server allows one to predicted ligands, metal and nucleotides ligand interacting residues in a protein. In summary, this manuscript presents a web server for comprehensive annotation of a protein based on similarity search. It integrates number of visualization tools that facilitate users to understand structure and function of protein residues. This web server is available freely for scientific community from URL http://crdd.osdd.net/raghava/starpdb .

  4. Structural and sequence features of two residue turns in beta-hairpins.

    Science.gov (United States)

    Madan, Bharat; Seo, Sung Yong; Lee, Sun-Gu

    2014-09-01

    Beta-turns in beta-hairpins have been implicated as important sites in protein folding. In particular, two residue β-turns, the most abundant connecting elements in beta-hairpins, have been a major target for engineering protein stability and folding. In this study, we attempted to investigate and update the structural and sequence properties of two residue turns in beta-hairpins with a large data set. For this, 3977 beta-turns were extracted from 2394 nonhomologous protein chains and analyzed. First, the distribution, dihedral angles and twists of two residue turn types were determined, and compared with previous data. The trend of turn type occurrence and most structural features of the turn types were similar to previous results, but for the first time Type II turns in beta-hairpins were identified. Second, sequence motifs for the turn types were devised based on amino acid positional potentials of two-residue turns, and their distributions were examined. From this study, we could identify code-like sequence motifs for the two residue beta-turn types. Finally, structural and sequence properties of beta-strands in the beta-hairpins were analyzed, which revealed that the beta-strands showed no specific sequence and structural patterns for turn types. The analytical results in this study are expected to be a reference in the engineering or design of beta-hairpin turn structures and sequences. © 2014 Wiley Periodicals, Inc.

  5. 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

  6. 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

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

    Directory of Open Access Journals (Sweden)

    Hu Jing

    2009-08-01

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

  8. Main Parameters Characterization of Bulk CMOS Cross-Like Hall Structures

    Directory of Open Access Journals (Sweden)

    Maria-Alexandra Paun

    2016-01-01

    Full Text Available A detailed analysis of the cross-like Hall cells integrated in regular bulk CMOS technological process is performed. To this purpose their main parameters have been evaluated. A three-dimensional physical model was employed in order to evaluate the structures. On this occasion, numerical information on the input resistance, Hall voltage, conduction current, and electrical potential distribution has been obtained. Experimental results for the absolute sensitivity, offset, and offset temperature drift have also been provided. A quadratic behavior of the residual offset with the temperature was obtained and the temperature points leading to the minimum offset for the three Hall cells were identified.

  9. Distortion and residual stresses in structures reinforced with titanium straps for improved damage tolerance

    International Nuclear Information System (INIS)

    Liljedahl, C.D.M.; Fitzpatrick, M.E.; Edwards, L.

    2008-01-01

    Distortion and residual stresses induced during the manufacturing process of bonded crack retarders have been investigated. Titanium alloy straps were adhesively bonded to an aluminium alloy SENT specimen to promote fatigue crack growth retardation. The effect of three different strap dimensions was investigated. The spring-back of a component when released from the autoclave and the residual stresses are important factors to take into account when designing a selective reinforcement, as this may alter the local aerodynamic characteristics and reduce the crack bridging effect of the strap. The principal problem with residual stresses is that the tensile nature of the residual stresses in the primary aluminium structure has a negative impact on the crack initiation and crack propagation behaviour in the aluminium. The residual stresses were measured with neutron diffraction and the distortion of the specimens was measured with a contour measurement machine. The bonding process was simulated with a three-dimensional FE model. The residual stresses were found to be tensile close to the strap and slightly compressive on the un-bonded side. Both the distortion and the residual stresses increased with the thickness and the width of the strap. Very good agreement between the measured stresses and the measured distortion and the FE simulation was found

  10. Prediction of welding residual distortions of large structures using a local/global approach

    International Nuclear Information System (INIS)

    Duan, Y. G.; Bergheau, J. M.; Vincent, Y.; Boitour, F.; Leblond, J. B.

    2007-01-01

    Prediction of welding residual distortions is more difficult than that of the microstructure and residual stresses. On the one hand, a fine mesh (often 3D) has to be used in the heat affected zone for the sake of the sharp variations of thermal, metallurgical and mechanical fields in this region. On the other hand, the whole structure is required to be meshed for the calculation of residual distortions. But for large structures, a 3D mesh is inconceivable caused by the costs of the calculation. Numerous methods have been developed to reduce the size of models. A local/global approach has been proposed to determine the welding residual distortions of large structures. The plastic strains and the microstructure due to welding are supposed can be determined from a local 3D model which concerns only the weld and its vicinity. They are projected as initial strains into a global 3D model which consists of the whole structure and obviously much less fine in the welded zone than the local model. The residual distortions are then calculated using a simple elastic analysis, which makes this method particularly effective in an industrial context. The aim of this article is to present the principle of the local/global approach then show the capacity of this method in an industrial context and finally study the definition of the local model

  11. Effects of interface edge configuration on residual stress in the bonded structures for a divertor application

    International Nuclear Information System (INIS)

    Kitamura, K.; Nagata, K.; Shibui, M.; Tachikawa, N.; Araki, M.

    1998-01-01

    Residual stresses in the interface region, that developed at the cool down during the brazing, were evaluated for several bonded structures to assess the mechanical strength of the bonded interface, using thermoelasto-plastic stress analysis. Normal stress components of the residual stresses around the interface edge of graphite-copper (C-Cu) bonded structures were compared for three types of bonded features such as flat-type, monoblock-type and saddle-type. The saddle-type structure was found to be favorable for its relatively low residual stress, easy fabrication accuracy on bonded interface and armor replacement. Residual stresses around the interface edge in three armor materials/copper bonded structures for a divertor plate were also examined for the C-Cu, tungsten-copper (W-Cu) and molybdenum alloy-copper (TZM-Cu), varying the interface wedge angle from 45 to 135 . An optimal bonded configuration for the least value of residual stress was found to have a wedge angle of 45 for the C-Cu, and 135 for both the W-Cu and TZM-Cu bonded ones. (orig.)

  12. Precision and Accuracy Parameters in Structured Light 3-D Scanning

    Science.gov (United States)

    Eiríksson, E. R.; Wilm, J.; Pedersen, D. B.; Aanæs, H.

    2016-04-01

    Structured light systems are popular in part because they can be constructed from off-the-shelf low cost components. In this paper we quantitatively show how common design parameters affect precision and accuracy in such systems, supplying a much needed guide for practitioners. Our quantitative measure is the established VDI/VDE 2634 (Part 2) guideline using precision made calibration artifacts. Experiments are performed on our own structured light setup, consisting of two cameras and a projector. We place our focus on the influence of calibration design parameters, the calibration procedure and encoding strategy and present our findings. Finally, we compare our setup to a state of the art metrology grade commercial scanner. Our results show that comparable, and in some cases better, results can be obtained using the parameter settings determined in this study.

  13. Crystal structure of vanadite: Refinement of anisotropic displacement parameters

    Czech Academy of Sciences Publication Activity Database

    Laufek, F.; Skála, Roman; Haloda, J.; Císařová, I.

    2006-01-01

    Roč. 51, 3-4 (2006), s. 271-275 ISSN 1210-8197 Institutional research plan: CEZ:AV0Z30130516 Keywords : anisotropic displacement parameter * crystal structure * single-crystal X-ray refinement * vanadinite Subject RIV: DB - Geology ; Mineralogy

  14. Precision and Accuracy Parameters in Structured Light 3-D Scanning

    DEFF Research Database (Denmark)

    Eiríksson, Eyþór Rúnar; Wilm, Jakob; Pedersen, David Bue

    2016-01-01

    measure is the established VDI/VDE 2634 (Part 2) guideline using precision made calibration artifacts. Experiments are performed on our own structured light setup, consisting of two cameras and a projector. We place our focus on the influence of calibration design parameters, the calibration procedure...

  15. Comparison of the population structure and life-history parameters ...

    African Journals Online (AJOL)

    Blacktail seabream Diplodus capensis were sampled from proximate (10 km apart) exploited and unexploited areas in southern Angola to compare their population structures and life-history parameters. Females dominated the larger size and older age classes in the unexploited area. In the exploited area the length and ...

  16. Parameter identification for structural dynamics based on interval analysis algorithm

    Science.gov (United States)

    Yang, Chen; Lu, Zixing; Yang, Zhenyu; Liang, Ke

    2018-04-01

    A parameter identification method using interval analysis algorithm for structural dynamics is presented in this paper. The proposed uncertain identification method is investigated by using central difference method and ARMA system. With the help of the fixed memory least square method and matrix inverse lemma, a set-membership identification technology is applied to obtain the best estimation of the identified parameters in a tight and accurate region. To overcome the lack of insufficient statistical description of the uncertain parameters, this paper treats uncertainties as non-probabilistic intervals. As long as we know the bounds of uncertainties, this algorithm can obtain not only the center estimations of parameters, but also the bounds of errors. To improve the efficiency of the proposed method, a time-saving algorithm is presented by recursive formula. At last, to verify the accuracy of the proposed method, two numerical examples are applied and evaluated by three identification criteria respectively.

  17. 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

  18. Reliability updating based on monitoring of structural response parameters

    International Nuclear Information System (INIS)

    Leira, B.J.

    2016-01-01

    Short- and long-term aspects of measuring structural response parameters are addressed. Two specific examples of such measurements are considered for the purpose of illustration and in order to focus the discussion. These examples are taken from the petroleum industry (monitoring of riser response) and from the shipping industry (monitoring of ice-induced strains in a ship hull). Similarities and differences between the two cases are elaborated with respect to which are the most relevant mechanical limit states. Furthermore, main concerns related to reliability levels within a short-term versus long-term time horizon are highlighted. Quantifying the economic benefits of applying monitoring systems is also addressed. - Highlights: • Two examples of structural response monitoring are described. • Application of measurements is discussed in relation to updating of load and structural parameters. • Quantification of the value of response monitoring is made for both of the examples.

  19. Functional validation of Ca2+-binding residues from the crystal structure of the BK ion channel.

    Science.gov (United States)

    Kshatri, Aravind S; Gonzalez-Hernandez, Alberto J; Giraldez, Teresa

    2018-04-01

    BK channels are dually regulated by voltage and Ca 2+ , providing a cellular mechanism to couple electrical and chemical signalling. Intracellular Ca 2+ concentration is sensed by a large cytoplasmic region in the channel known as "gating ring", which is formed by four tandems of regulator of conductance for K + (RCK1 and RCK2) domains. The recent crystal structure of the full-length BK channel from Aplysia californica has provided new information about the residues involved in Ca 2+ coordination at the high-affinity binding sites located in the RCK1 and RCK2 domains, as well as their cooperativity. Some of these residues have not been previously studied in the human BK channel. In this work we have investigated, through site directed mutagenesis and electrophysiology, the effects of these residues on channel activation by voltage and Ca 2+ . Our results demonstrate that the side chains of two non-conserved residues proposed to coordinate Ca 2+ in the A. californica structure (G523 and E591) have no apparent functional role in the human BK Ca 2+ sensing mechanism. Consistent with the crystal structure, our data indicate that in the human channel the conserved residue R514 participates in Ca 2+ coordination in the RCK1 binding site. Additionally, this study provides functional evidence indicating that R514 also interacts with residues E902 and Y904 connected to the Ca 2+ binding site in RCK2. Interestingly, it has been proposed that this interaction may constitute a structural correlate underlying the cooperative interactions between the two high-affinity Ca 2+ binding sites regulating the Ca 2+ dependent gating of the BK channel. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Structural parameter optimization design for Halbach permanent maglev rail

    International Nuclear Information System (INIS)

    Guo, F.; Tang, Y.; Ren, L.; Li, J.

    2010-01-01

    Maglev rail is an important part of the magnetic levitation launch system. Reducing the manufacturing cost of magnetic levitation rail is the key problem for the development of magnetic levitation launch system. The Halbach permanent array has an advantage that the fundamental spatial field is cancelled on one side of the array while the field on the other side is enhanced. So this array used in the design of high temperature superconducting permanent maglev rail could improve the surface magnetic field and the levitation force. In order to make the best use of Nd-Fe-B (NdFeB) material and reduce the cost of maglev rail, the effect of the rail's structural parameters on levitation force and the utilization rate of NdFeB material are analyzed. The optimal ranges of these structural parameters are obtained. The mutual impact of these parameters is also discussed. The optimization method of these structure parameters is proposed at the end of this paper.

  1. Structural parameter optimization design for Halbach permanent maglev rail

    Energy Technology Data Exchange (ETDEWEB)

    Guo, F., E-mail: guofang19830119@163.co [R and D Center of Applied Superconductivity, Huazhong University of Science and Technology, Wuhan 430074 (China); Tang, Y.; Ren, L.; Li, J. [R and D Center of Applied Superconductivity, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2010-11-01

    Maglev rail is an important part of the magnetic levitation launch system. Reducing the manufacturing cost of magnetic levitation rail is the key problem for the development of magnetic levitation launch system. The Halbach permanent array has an advantage that the fundamental spatial field is cancelled on one side of the array while the field on the other side is enhanced. So this array used in the design of high temperature superconducting permanent maglev rail could improve the surface magnetic field and the levitation force. In order to make the best use of Nd-Fe-B (NdFeB) material and reduce the cost of maglev rail, the effect of the rail's structural parameters on levitation force and the utilization rate of NdFeB material are analyzed. The optimal ranges of these structural parameters are obtained. The mutual impact of these parameters is also discussed. The optimization method of these structure parameters is proposed at the end of this paper.

  2. Table of periodic properties of fullerenes based on structural parameters.

    Science.gov (United States)

    Torrens, Francisco

    2004-01-01

    The periodic table (PT) of the elements suggests that hydrogen could be the origin of everything else. The construction principle is an evolutionary process that is formally similar to those of Darwin and Oparin. The Kekulé structure count and permanence of the adjacency matrix of fullerenes are related to structural parameters involving the presence of contiguous pentagons p, q and r. Let p be the number of edges common to two pentagons, q the number of vertices common to three pentagons, and r the number of pairs of nonadjacent pentagon edges shared between two other pentagons. Principal component analysis (PCA) of the structural parameters and cluster analysis (CA) of the fullerenes permit classifying them and agree. A PT of the fullerenes is built based on the structural parameters, PCA and CA. The periodic law does not have the rank of the laws of physics. (1) The properties of the fullerenes are not repeated; only, and perhaps, their chemical character. (2) The order relationships are repeated, although with exceptions. The proposed statement is the following: The relationships that any fullerene p has with its neighbor p + 1 are approximately repeated for each period.

  3. A hierarchical structure through imprinting of a polyimide precursor without residual layers

    International Nuclear Information System (INIS)

    Pai, I-Ting; Hon, Min-Hsiung; Leu, Ing-Chi

    2008-01-01

    A patterned polyimide without a residual layer is obtained by imprinting with the assistance of a residual solvent. The effects of the wetting behaviors of the poly-amic acid (PAA) solution coated on various surfaces are examined and the formation of hierarchical patterns without residual layers is demonstrated. polydimethylsiloxane (PDMS) and PEI/PDMS are used as imprinting molds with Si and 300 nm SiO 2 /Si as substrates. The results indicate that the various ambits of patterns without a residual layer are formed due to the dewetting phenomena caused by surface tension (Suh 2006 Small 2 832). During imprinting, PDMS with a low surface energy makes the PAA solution flow away from its surface exposing the contact area due to dewetting. Self-organized hierarchical structures are also obtained from this process due to effective dewetting. The present study provides a new approach for fabricating patterns without residual layers and the consequent preparation of hierarchical structures, which is considered to be impossible using the lithographic technique

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

    NARCIS (Netherlands)

    van Lune, Frouktje Sapke

    2004-01-01

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

  5. Deamidation of asparagine and glutamine residues in proteins and peptides: structural determinants and analytical methodology

    NARCIS (Netherlands)

    Bischoff, Rainer; Kolbe, H.V.

    1994-01-01

    Non-enzymatic deamidation of asparagine and glutamine residues in proteins and peptides are reviewed by first outlining the well-described reaction mechanism involving cyclic imide intermediates, followed by a discussion of structural features which influence the reaction rate. The second and major

  6. Research on structure and electrical parameters of indium antimonide films

    International Nuclear Information System (INIS)

    Mukhametniyazova, A.; Konyaeva, V.F.; Sukhanov, S.; Ashirov, A.; Aleksanyan, S.N.

    1980-01-01

    Results of investigations into the effect of conditions of formation of indium antimonide films prepared by thermal vacuum spraying on their structure, phase composition and electric parameters, are presented. The method of studying the synthesized semiconductor layers on the DRON-0.5 X-ray device with CoKsub(α)-radiation is tested. The dependence of structure, phase composition and electric properties of InSb layers 1+3 μm thick sprayed on ferrite substrates on condensation temperature, is established. Hexagonal InSb modification is found

  7. DFTB Parameters for the Periodic Table: Part 1, Electronic Structure.

    Science.gov (United States)

    Wahiduzzaman, Mohammad; Oliveira, Augusto F; Philipsen, Pier; Zhechkov, Lyuben; van Lenthe, Erik; Witek, Henryk A; Heine, Thomas

    2013-09-10

    A parametrization scheme for the electronic part of the density-functional based tight-binding (DFTB) method that covers the periodic table is presented. A semiautomatic parametrization scheme has been developed that uses Kohn-Sham energies and band structure curvatures of real and fictitious homoatomic crystal structures as reference data. A confinement potential is used to tighten the Kohn-Sham orbitals, which includes two free parameters that are used to optimize the performance of the method. The method is tested on more than 100 systems and shows excellent overall performance.

  8. Research on structure and electrical parameters of indium antimonide films

    Energy Technology Data Exchange (ETDEWEB)

    Mukhametniyazova, A; Konyaeva, V F; Sukhanov, S; Ashirov, A; Aleksanyan, S N [AN Turkmenskoj SSR, Ashkhabad. Fiziko-Tekhnicheskii Inst.

    1980-01-01

    Results of investigations into the effect of conditions of formation of indium antimonide films prepared by thermal vacuum spraying on their structure, phase composition and electric parameters, are presented. The method of studying the synthesized semiconductor layers on the DRON-0.5 X-ray device with CoKsub(..cap alpha..)-radiation is tested. The dependence of structure, phase composition and electric properties of InSb layers 1+3 ..mu..m thick sprayed on ferrite substrates on condensation temperature, is established. Hexagonal InSb modification is found.

  9. Safe structural food bolus in elderly: the relevant parameters

    OpenAIRE

    Vandenberghe-Descamps, Mathilde; Septier, Chantal; Prot, Aurélie; Tournier, Carole; Hennequin, Martine; Vigneau, Evelyne; Feron, Gilles; Labouré, Hélène

    2017-01-01

    Mastication is essential to prepare food into a bolus ready to be swallowed safely, with no choking risk. Based on food bolus properties, a masticatory normative indicator was developed by Woda et al. (2010) to identify impaired masticatory function within good oral health population. The aim of the present study was to identify relevant parameters of bolus' structure to differentiate safe to unsafe bolus among elderly contrasting by their dental status.93 elderly, 58% with at least 7 posteri...

  10. [Structure Parameters and Quality Outcomes of Ambulant Home-care].

    Science.gov (United States)

    Suhr, Ralf; Raeder, Kathrin; Kuntz, Simone; Strube-Lahmann, Sandra; Latendorf, Antje; Klingelhöfer-Noe, Jürgen; Lahmann, Nils

    2018-05-14

    So far, there are few data available on the changes of ambulant home-care in Germany over the last decades. Therefore, the aim of this research was to provide structure data on nursing personnel, funding, size, regional differences, and training needs of ambulant home-care services in Germany. In addition, a possible association between structure parameters and quality outcomes for pressure ulcer and malnutrition was investigated. In 2015, a multicenter cross-sectional study was conducted in home-care services in Germany. Structure data from 99 randomly selected home-care services as well as data on pressure ulcers and malnutrition of 903 care-dependent clients were analyzed. The median (home-care services. From a cut-off of 20,000 inhabitants, a region was considered urban. The average prevalence for decubitus and malnutrition (BMIhome-care service, and possible associations with structure parameters were analyzed using a multiple linear regression model. The proportion of registered nurses in non-private (private) home-care services was 60.6% (52.3%). The proportion of employees with a 200- h basic qualification in nursing was higher in private (12.5 vs. 4.7%), small home-care services (14.0 vs. 5.8%) and in urban regions (11.5 vs 5.7%). In average, registered nurses working in small home-care services spent significantly more time per client than the ones working in large services (3.8 vs. 2.9 h/week). The highest need for further training was shown on the subjects of pain, medication and cognitive impairment. No statistically significant correlation could be found between the average decubitus prevalence and structure parameters. Only the association between malnutrition prevalence and the proportion of registered nurses was statistically significant. The present representative study provides structure data on nursing personnel, funding, size, regional differences, and training needs of ambulant home-care services in Germany that could be used as a baseline

  11. Structural transformations in Mn2NiGa due to residual stress

    International Nuclear Information System (INIS)

    Singh, Sanjay; Maniraj, M.; D'Souza, S. W.; Barman, S. R.; Ranjan, R.

    2010-01-01

    Powder x-ray diffraction study of Mn 2 NiGa ferromagnetic shape memory alloy shows the existence of a 7M monoclinic modulated structure at room temperature (RT). The structure of Mn 2 NiGa is found to be highly dependent on residual stress. For higher stress, the structure is tetragonal at RT, and for intermediate stress it is 7M monoclinic. However, only when the stress is considerably relaxed, the structure is cubic, as is expected at RT since the martensitic transition temperature is 230 K.

  12. 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)

  13. Interplay between Peptide Bond Geometrical Parameters in Nonglobular Structural Contexts

    Directory of Open Access Journals (Sweden)

    Luciana Esposito

    2013-01-01

    Full Text Available Several investigations performed in the last two decades have unveiled that geometrical parameters of protein backbone show a remarkable variability. Although these studies have provided interesting insights into one of the basic aspects of protein structure, they have been conducted on globular and water-soluble proteins. We report here a detailed analysis of backbone geometrical parameters in nonglobular proteins/peptides. We considered membrane proteins and two distinct fibrous systems (amyloid-forming and collagen-like peptides. Present data show that in these systems the local conformation plays a major role in dictating the amplitude of the bond angle N-Cα-C and the propensity of the peptide bond to adopt planar/nonplanar states. Since the trends detected here are in line with the concept of the mutual influence of local geometry and conformation previously established for globular and water-soluble proteins, our analysis demonstrates that the interplay of backbone geometrical parameters is an intrinsic and general property of protein/peptide structures that is preserved also in nonglobular contexts. For amyloid-forming peptides significant distortions of the N-Cα-C bond angle, indicative of sterical hidden strain, may occur in correspondence with side chain interdigitation. The correlation between the dihedral angles Δω/ψ in collagen-like models may have interesting implications for triple helix stability.

  14. Interplay between peptide bond geometrical parameters in nonglobular structural contexts.

    Science.gov (United States)

    Esposito, Luciana; Balasco, Nicole; De Simone, Alfonso; Berisio, Rita; Vitagliano, Luigi

    2013-01-01

    Several investigations performed in the last two decades have unveiled that geometrical parameters of protein backbone show a remarkable variability. Although these studies have provided interesting insights into one of the basic aspects of protein structure, they have been conducted on globular and water-soluble proteins. We report here a detailed analysis of backbone geometrical parameters in nonglobular proteins/peptides. We considered membrane proteins and two distinct fibrous systems (amyloid-forming and collagen-like peptides). Present data show that in these systems the local conformation plays a major role in dictating the amplitude of the bond angle N-C(α)-C and the propensity of the peptide bond to adopt planar/nonplanar states. Since the trends detected here are in line with the concept of the mutual influence of local geometry and conformation previously established for globular and water-soluble proteins, our analysis demonstrates that the interplay of backbone geometrical parameters is an intrinsic and general property of protein/peptide structures that is preserved also in nonglobular contexts. For amyloid-forming peptides significant distortions of the N-C(α)-C bond angle, indicative of sterical hidden strain, may occur in correspondence with side chain interdigitation. The correlation between the dihedral angles Δω/ψ in collagen-like models may have interesting implications for triple helix stability.

  15. Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters

    Directory of Open Access Journals (Sweden)

    Kenichi Dedachi

    2013-01-01

    Full Text Available Based on the observation that Ramachandran-type potential energy surfaces of single amino acid units in water are in good agreement with statistical structures of the corresponding amino acid residues in proteins, we recently developed a new all-atom force field called SAAP, in which the total energy function for a polypeptide is expressed basically as a sum of single amino acid potentials and electrostatic and Lennard-Jones potentials between the amino acid units. In this study, the SAAP force field (SAAPFF parameters were improved, and classical canonical Monte Carlo (MC simulation was carried out for short peptide models, that is, Met-enkephalin and chignolin, at 300 K in an implicit water model. Diverse structures were reasonably obtained for Met-enkephalin, while three folded structures, one of which corresponds to a native-like structure with three native hydrogen bonds, were obtained for chignolin. The results suggested that the SAAP-MC method is useful for conformational sampling for the short peptides. A protocol of SAAP-MC simulation followed by structural clustering and examination of the obtained structures by ab initio calculation or simply by the number of the hydrogen bonds (or the hardness was demonstrated to be an effective strategy toward structure prediction for short peptide molecules.

  16. Structural and functional characterization of Rpn12 identifies residues required for Rpn10 proteasome incorporation.

    Science.gov (United States)

    Boehringer, Jonas; Riedinger, Christiane; Paraskevopoulos, Konstantinos; Johnson, Eachan O D; Lowe, Edward D; Khoudian, Christina; Smith, Dominique; Noble, Martin E M; Gordon, Colin; Endicott, Jane A

    2012-11-15

    The ubiquitin-proteasome system targets selected proteins for degradation by the 26S proteasome. Rpn12 is an essential component of the 19S regulatory particle and plays a role in recruiting the extrinsic ubiquitin receptor Rpn10. In the present paper we report the crystal structure of Rpn12, a proteasomal PCI-domain-containing protein. The structure helps to define a core structural motif for the PCI domain and identifies potential sites through which Rpn12 might form protein-protein interactions. We demonstrate that mutating residues at one of these sites impairs Rpn12 binding to Rpn10 in vitro and reduces Rpn10 incorporation into proteasomes in vivo.

  17. Cosmological parameters from large scale structure - geometric versus shape information

    CERN Document Server

    Hamann, Jan; Lesgourgues, Julien; Rampf, Cornelius; Wong, Yvonne Y Y

    2010-01-01

    The matter power spectrum as derived from large scale structure (LSS) surveys contains two important and distinct pieces of information: an overall smooth shape and the imprint of baryon acoustic oscillations (BAO). We investigate the separate impact of these two types of information on cosmological parameter estimation, and show that for the simplest cosmological models, the broad-band shape information currently contained in the SDSS DR7 halo power spectrum (HPS) is by far superseded by geometric information derived from the baryonic features. An immediate corollary is that contrary to popular beliefs, the upper limit on the neutrino mass m_\

  18. Recovery and residual stress of SMA wires and applications for concrete structures

    International Nuclear Information System (INIS)

    Choi, Eunsoo; Cho, Sung-Chul; Park, Taehyo; Hu, Jong Wan; Chung, Young-Soo

    2010-01-01

    In general, NiTi shape memory alloys are used for applications in civil structures. NiTi SMAs show good superelasticity and shape memory effect properties. However, for application of the shape memory effect, it is desirable for SMAs to show a wide temperature hysteresis, especially for civil structures which are exposed to severe environmental conditions. NiTiNb SMAs, in general, show a wider temperature hysteresis than NiTi SMAs and are more applicable for civil structures. This study examines the temperature hysteresis of NiTiNb and NiTi SMAs, and their recovery and residual stress are investigated. In addition, the tensile behaviors of SMA wires under residual stress are evaluated. This study explains the possible applications for concrete structures with the shape memory effect and illustrates two experimental results of concrete cylinders and reinforced concrete columns. For both tests, SMA wires of NiTiNb and NiTi are used to confine concrete using residual stress. The SMA wire jackets on the concrete cylinders increase the peak strength and the ductility compared to the plain concrete cylinders. In addition, the SMA wire jackets on reinforced concrete columns increase the ductility greatly without flexural strength degradation

  19. Structure, vibrations, and hydrogen bond parameters of dibenzotetraaza[14]annulene

    Science.gov (United States)

    Gawinkowski, S.; Eilmes, J.; Waluk, J.

    2010-07-01

    Geometry and vibrational structure of dibenzo[ b, i][1,4,8,11]tetraaza[14]annulene (TAA) have been studied using infrared and Raman spectroscopy combined with quantum-chemical calculations. The assignments were proposed for 106 out of the total of 108 TAA vibrations, based on comparison of the theoretical predictions with the experimental data obtained for the parent molecule and its isotopomer in which the NH protons were replaced by deuterons. Reassignments were suggesteded for the NH stretching and out-of-plane vibrations. The values of the parameters of the intramolecular NH⋯N hydrogen bonds were analysed in comparison with the corresponding data for porphyrin and porphycene, molecules with the same structural motif, a cavity composed of four nitrogen atoms and two inner protons. Both experiment and calculations suggest that the molecule of TAA is not planar and is present in a trans tautomeric form, with the protons located on the opposite nitrogen atoms.

  20. Challenges in parameter identification of large structural dynamic systems

    International Nuclear Information System (INIS)

    Koh, C.G.

    2001-01-01

    In theory, it is possible to determine the parameters of a structural or mechanical system by subjecting it to some dynamic excitation and measuring the response. Considerable research has been carried out in this subject area known as the system identification over the past two decades. Nevertheless, the challenges associated with numerical convergence are still formidable when the system is large in terms of the number of degrees of freedom and number of unknowns. While many methods work for small systems, the convergence becomes difficult, if not impossible, for large systems. In this keynote lecture, both classical and non-classical system identification methods for dynamic testing and vibration-based inspection are discussed. For classical methods, the extended Kalman filter (EKF) approach is used. On this basis, a substructural identification method has been developed as a strategy to deal with large structural systems. This is achieved by reducing the problem size, thereby significantly improving the numerical convergence and efficiency. Two versions of this method are presented each with its own merits. A numerical example of frame structure with 20 unknown parameters is illustrated. For non-classical methods, the Genetic Algorithm (GA) is shown to be applicable with relative ease due to its 'forward analysis' nature. The computational time is, however, still enormous for large structural systems due to the combinatorial explosion problem. A model GA method has been developed to address this problem and tested with considerable success on a relatively large system of 50 degrees of freedom, accounting for input and output noise effects. An advantages of this GA-based identification method is that the objective function can be defined in response measured. Numerical studies show that the method is relatively robust, as it does in response measured. Numerical studies show that the method is relatively robust, as it dos not require good initial guess and the

  1. Structural Parameters of Star Clusters: Signal to Noise Effects

    Directory of Open Access Journals (Sweden)

    Narbutis D.

    2015-09-01

    Full Text Available We study the impact of photometric signal to noise on the accuracy of derived structural parameters of unresolved star clusters using MCMC model fitting techniques. Star cluster images were simulated as a smooth surface brightness distribution following a King profile convolved with a point spread function. The simulation grid was constructed by varying the levels of sky background and adjusting the cluster’s flux to a specified signal to noise. Poisson noise was introduced to a set of cluster images with the same input parameters at each node of the grid. Model fitting was performed using “emcee” algorithm. The presented posterior distributions of the parameters illustrate their uncertainty and degeneracies as a function of signal to noise. By defining the photometric aperture containing 80% of the cluster’s flux, we find that in all realistic sky background level conditions a signal to noise ratio of ~50 is necessary to constrain the cluster’s half-light radius to an accuracy better than ~20%. The presented technique can be applied to synthetic images simulating various observations of extragalactic star clusters.

  2. Topology Synthesis of Structures Using Parameter Relaxation and Geometric Refinement

    Science.gov (United States)

    Hull, P. V.; Tinker, M. L.

    2007-01-01

    Typically, structural topology optimization problems undergo relaxation of certain design parameters to allow the existence of intermediate variable optimum topologies. Relaxation permits the use of a variety of gradient-based search techniques and has been shown to guarantee the existence of optimal solutions and eliminate mesh dependencies. This Technical Publication (TP) will demonstrate the application of relaxation to a control point discretization of the design workspace for the structural topology optimization process. The control point parameterization with subdivision has been offered as an alternative to the traditional method of discretized finite element design domain. The principle of relaxation demonstrates the increased utility of the control point parameterization. One of the significant results of the relaxation process offered in this TP is that direct manufacturability of the optimized design will be maintained without the need for designer intervention or translation. In addition, it will be shown that relaxation of certain parameters may extend the range of problems that can be addressed; e.g., in permitting limited out-of-plane motion to be included in a path generation problem.

  3. The parameters controlling the strength of soil-steel structures

    International Nuclear Information System (INIS)

    Barkhordari, M. A.; Abdel-Sayed, G.

    2001-01-01

    The present paper examines the ultimate load carrying capacity of soil-steel structures taking into consideration the sequence of the developments of plastic hinges, their location, and their sustained plastic moment. Non-linear analysis has been conducted using a micro-computer program in which a structural model is applied with the soil replaced by normal and tangential springs acting at the nodal points of a polygon representing the conduit wall. A comparative study has been conducted for the parameters which affect the load carrying capacity of soil-steel structure, leading to the following conclusions: (1) the load carrying capacity of the composite structure is significantly affected by the shear stiffness (or friction) of the surrounding soil; (2) the conduit span may be used when calculating the buckling load rather than the local radius of the conduit wall; (3) circular arches with sector angle of less than 180 d eg have higher load carrying capacity than equivalent re-entrant arches, i.e. arches with sector angle of more than 180 d eg; (4) the buckling load of the conduit is slightly affected by the rigidity of the lower zone of the conduit wall; (5) eccentric application of the load has practically little effect on its load carrying capacity

  4. Solution structure of the 45-residue ATP-binding peptide of adenylate kinase as determined by 2-D NMR, FTIR, and CD spectroscopy

    International Nuclear Information System (INIS)

    Fry, D.C.; Byler, D.M.; Susi, H.; Brown, E.M.; Kuby, S.A.; Mildyan, A.S.

    1986-01-01

    In the X-ray structure of adenylate kinase residues 1-45 exist as 47% α-helix, 29% β-structure (strands and turns) and 24% coil. The solution structure of a synthetic peptide corresponding to residues 1-45, which constitutes the MgATP binding site was studied by 3 independent spectroscopic methods. Globularity of the peptide was shown by its broad NMR resonances which narrow upon denaturation, and by its ability to bind MgATP with similar affinity and conformation as the intact enzyme does. COSY and NOESY NMR methods at 250 and 500 MHz reveal proximities among NH, Cα, and Cβ protons indicative of >20% α-helix, and >20% β-structure. Correlation of regions of secondary structure with the primary sequence by 2D NMR indicates at least one α-helix (res. 23 to 29) and two β-strands (res. 12 to 15 and 34 to 38). The broad amide I band in the deconvoluted FTIR spectrum could be fit as the sum of 4 peaks due to specific secondary structures, yielding ≤=45% α-helix, ≤=40% β-structure and ≥=15% coil. The CD spectrum, from 185-250 nm, interpreted with a 3-parameter basis set, yielded 20 +/- 5% α=helix, and ≤=20% β-structure. The solution structure of peptide 1-45 thus approximates that of residues 1-45 in the crystal

  5. Influence of the residual stresses on crack initiation in brittle materials and structures

    International Nuclear Information System (INIS)

    Henninger, C.

    2007-11-01

    Many material assemblies subjected to thermo-mechanical loadings develop thermal residual stresses which modify crack onset conditions. Besides if one of the components has a plastic behaviour, plastic residual deformations may also have a contribution. One of the issues in brittle fracture mechanics is to predict crack onset without any pre-existing defect. Leguillon proposed an onset criterion based on both a Griffth-like energetic condition and a maximum stress criterion. The analysis uses matched asymptotics and the theory of singularity. The good fit between the model and experimental measurements led on homogeneous isotropic materials under pure mechanical loading incited us to take into account residual stresses in the criterion. The comparison between the modified criterion and the experimental measurements carried out on an aluminum/epoxy assembly proves to be satisfying concerning the prediction of failure of the interface between the two components. Besides, it allows, through inversion, identifying the fracture properties of this interface. The modified criterion is also applied to the delamination of the tile/structure interface in the plasma facing components of the Tore Supra tokamak. Indeed thermal and plastic residual stresses appear in the metallic part of these coating tiles. (author)

  6. Effects of lysine residues on structural characteristics and stability of tau proteins

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Myeongsang; Baek, Inchul; Choi, Hyunsung; Kim, Jae In; Na, Sungsoo, E-mail: nass@korea.ac.kr

    2015-10-23

    Pathological amyloid proteins have been implicated in neuro-degenerative diseases, specifically Alzheimer's, Parkinson's, Lewy-body diseases and prion related diseases. In prion related diseases, functional tau proteins can be transformed into pathological agents by environmental factors, including oxidative stress, inflammation, Aβ-mediated toxicity and covalent modification. These pathological agents are stable under physiological conditions and are not easily degraded. This un-degradable characteristic of tau proteins enables their utilization as functional materials to capturing the carbon dioxides. For the proper utilization of amyloid proteins as functional materials efficiently, a basic study regarding their structural characteristic is necessary. Here, we investigated the basic tau protein structure of wild-type (WT) and tau proteins with lysine residues mutation at glutamic residue (Q2K) on tau protein at atomistic scale. We also reported the size effect of both the WT and Q2K structures, which allowed us to identify the stability of those amyloid structures. - Highlights: • Lysine mutation effect alters the structure conformation and characteristic of tau. • Over the 15 layers both WT and Q2K models, both tau proteins undergo fractions. • Lysine mutation causes the increment of non-bonded energy and solvent accessible surface area. • Structural instability of Q2K model was proved by the number of hydrogen bonds analysis.

  7. Effects of lysine residues on structural characteristics and stability of tau proteins

    International Nuclear Information System (INIS)

    Lee, Myeongsang; Baek, Inchul; Choi, Hyunsung; Kim, Jae In; Na, Sungsoo

    2015-01-01

    Pathological amyloid proteins have been implicated in neuro-degenerative diseases, specifically Alzheimer's, Parkinson's, Lewy-body diseases and prion related diseases. In prion related diseases, functional tau proteins can be transformed into pathological agents by environmental factors, including oxidative stress, inflammation, Aβ-mediated toxicity and covalent modification. These pathological agents are stable under physiological conditions and are not easily degraded. This un-degradable characteristic of tau proteins enables their utilization as functional materials to capturing the carbon dioxides. For the proper utilization of amyloid proteins as functional materials efficiently, a basic study regarding their structural characteristic is necessary. Here, we investigated the basic tau protein structure of wild-type (WT) and tau proteins with lysine residues mutation at glutamic residue (Q2K) on tau protein at atomistic scale. We also reported the size effect of both the WT and Q2K structures, which allowed us to identify the stability of those amyloid structures. - Highlights: • Lysine mutation effect alters the structure conformation and characteristic of tau. • Over the 15 layers both WT and Q2K models, both tau proteins undergo fractions. • Lysine mutation causes the increment of non-bonded energy and solvent accessible surface area. • Structural instability of Q2K model was proved by the number of hydrogen bonds analysis.

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

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  9. The influence of punching process on residual stress and magnetic domain structure of non-oriented silicon steel

    International Nuclear Information System (INIS)

    Cao, Hongzhi; Hao, Linpo; Yi, Jingwen; Zhang, Xianglin; Luo, Zhonghan; Chen, Shenglin; Li, Rongfeng

    2016-01-01

    The main purpose of this paper is to investigate the influence of punching process on residual stress and magnetic domain structure. The residual stress in non-oriented silicon steel after punching process was measured by nanoindentation. The maximum depth was kept constant as 300 nm during nanoindentation. The material around indentation region exhibited no significant pile-up deformation. The calculation of residual stress was based on the Suresh theoretical model. Our experimental results show that residual compressive stress was generated around the sheared edge after punching. The width of residual stress affected zone by punching was around 0.4–0.5 mm. After annealing treatment, the residual stress was significantly decreased. Magnetic domain structure was observed according to the Bitter method. The un-annealed sample exhibited complicated domain patterns, and the widths of the magnetic domains varied between 3 µm and 8 µm. Most of the domain patterns of the annealed sample were 180°-domains and 90°-domains, and the widths of the domains decreased to 1–3 µm. - Highlights: • The residual stress distribution on sheared edge was measured. • The residual compressive stress was generated around the sheared edge. • The width of residual stress affected zone was about 0.4–0.5 mm. • The shape and width of the domain structure would be changed by annealing.

  10. Heavy particle track structure parameters for biophysical modelling

    International Nuclear Information System (INIS)

    Watt, D.E.

    1994-01-01

    Averaged values of physical track structure parameters are important in radiobiology and radiological protection for the expression of damage mechanisms and for quantifying radiation effects. To provide a ready reference, tables of relevant quantities have been compiled for heavy charged particles in liquid water. The full tables will be published elsewhere but here illustrative examples are given of the trends for the most important quantities. In the tables, data are given for 74 types of heavy charged particle ranging from protons to uranium ions at specific energies between 0.1 keV/u and 1 GeV/u. Aggregate effects in liquid water are taken into account implicitly in the calculations. Results are presented for instantaneous particle energies and for averages over the charged particle equilibrium spectrum. The latter are of special relevance to radiation dosimetry. Quality parameters calculated are: β 2 ; z 2 /β 2 ; linear primary ionisation and the mean free path between ionisations; LET; track and dose-restricted LET with 100 eV cut-off; relative variances; delta-ray energies and ranges; ion energies and ranges and kerma factors. Here, the procedures used in the calculations are indicated. Representative results are shown in graphical form. The role of the physical track properties is discussed with regard to optimisation of the design of experiments intended to elucidate biological damage mechanisms in mammalian cells and their relevance to radiological protection. ((orig.))

  11. Effect of using the double layer technique on the microstructure, microhardness and residual stress of welded ASTM A516 GR70 structural steel

    International Nuclear Information System (INIS)

    Oliveira, George Luiz Gomes de; Miranda, Helio Cordeiro de

    2010-01-01

    The aim of this work is to evaluate the effect of using the double layer technique on the microstructure, microhardness and residual stresses of welded ASTM A516 Gr70 structural steel. Samples were welded with the same welding parameters and two types of chamfers, while the samples welded using the double layer technique underwent a buttering process on their chamfer face. Residual stress measurement was accomplished through x-ray diffraction, using a mini diffractometer for measurement in field. Metallographic analysis was accomplished in the transverse section of the welded joint, using optic microscopy and scanning electron microscopy. The double layer technique showed that can be used in the welding of ASTM A516 Gr70 steel, because, besides promote a refinement and a drawing back of the CG-HAZ, it increased compressive residual stress in the whole surface of the analyzed samples.(author)

  12. 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.

  13. EFFECTS OF SYNTHESIS PARAMETERS ON THE STRUCTURE OF TITANIA NANOTUBES

    Directory of Open Access Journals (Sweden)

    M. NORANI MUTI

    2008-08-01

    Full Text Available Detection of hydrogen is crucial for industrial process control and medical applications where presence of hydrogen in breath indicates different type of health problems particularly in infants. A better performed sensor with high sensitivity, selectivity, reliability and faster response time would be critical and sought after especially for medical applications. Titanium dioxide nanotube structure is chosen as an active component in the gas sensor because of its highly sensitive electrical resistance to hydrogen over a wide range of concentrations. The objective of the work is to investigate the effect of the anodizing conditions on the structure of titania nanotubes produced by anodizing method. The anodizing parameters namely the ambient temperature and separation of electrodes are varied accordingly to find the optimum anodizing conditions for production of good quality titania nanotubes for enhanced properties based on their uniformity, coverage, pore size and crystallinity. Samples of nanotubes produced were subjected to annealing process at varying time and temperature in order to improve the crystallinity of the nanotubes. The highly ordered porous titania nanotubes produced by this method are of tabular shape and have good uniformity and alignment over large areas. The pore size of the titania nanotubes ranges from 47 to 94 nm, while the wall thickness is in the range of 17 to 26 nm. The length of the nanotubes was found to be about 280 nm. The structure of nanotubes changes from amorphous to crystalline after undergoing annealing treatment. Nanotubes have also shown to have better crystallinity if they were subjected to annealing treatment at higher temperature. The characteristics of nanotubes obtained are found to be agreeable to those that have been reported to show improved hydrogen gas sensing properties.

  14. 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.

  15. 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.

  16. Texture, residual stress and structural analysis of thin films using a combined X-ray analysis

    International Nuclear Information System (INIS)

    Lutterotti, L.; Chateigner, D.; Ferrari, S.; Ricote, J.

    2004-01-01

    Advanced thin films for today's industrial and research needs require highly specialized methodologies for a successful quantitative characterization. In particular, in the case of multilayer and/or unknown phases a global approach is necessary to obtain some or all the required information. A full approach has been developed integrating novel texture and residual stress methodologies with the Rietveld method (Acta Cryst. 22 (1967) 151) (for crystal structure analysis) and it has been coupled with the reflectivity analysis. The complete analysis can be done at once and offers several benefits: the thicknesses obtained from reflectivity can be used to correct the diffraction spectra, the phase analysis help to identify the layers and to determine the electron density profile for reflectivity; quantitative texture is needed for quantitative phase and residual stress analyses; crystal structure determination benefits of the previous. To achieve this result, it was necessary to develop some new methods, especially for texture and residual stresses. So it was possible to integrate them in the Rietveld, full profile fitting of the patterns. The measurement of these spectra required a special reflectometer/diffractometer that combines a thin parallel beam (for reflectivity) and a texture/stress goniometer with a curved large position sensitive detector. This new diffraction/reflectivity X-ray machine has been used to test the combined approach. Several spectra and the reflectivity patterns have been collected at different tilting angles and processed at once by the special software incorporating the aforementioned methodologies. Some analysis examples will be given to show the possibilities offered by the method

  17. Distribution, utilization structure and potential of biomass resources in rural China: With special references of crop residues

    Energy Technology Data Exchange (ETDEWEB)

    Liu, H [Laboratory of Quantitative Vegetation Ecology, Institute of Botany, Chinese Academy of Sciences, 20 Nanxincun, Xiangshan, Beijing 100093 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Jiang, G M [Laboratory of Quantitative Vegetation Ecology, Institute of Botany, Chinese Academy of Sciences, 20 Nanxincun, Xiangshan, Beijing 100093 (China); Agronomy Department, Shandong Agricultural University, Tai' an 271018, Shandong Province (China); Zhuang, H Y [National Bio-Energy CO., LTD, No. 26B, Financial Street, Xicheng District, Beijing 100032 (China); Shandong Academy of Sciences, No. 19, Keyuan Road, Ji' nan 250014, Shandong Province (China); Wang, K J [Agronomy Department, Shandong Agricultural University, Tai' an 271018, Shandong Province (China)

    2008-06-15

    As the largest developing country in the world, China is urgently in short of energy and natural resources. However, biological resources such as crop residues are burnt in the field, which cause serious environmental pollution. Still it is not clear how much storage and potential of these huge crop residues are in China. This paper firstly reported the distribution, utilization structure and potential of crop biomass and provided the tangible information of crop residues in rural China through careful collecting and recalculating data. From 1995 to 2005, China produces some 630 million tons of crop residues per year, 50% of which comes from east and central south of China. The amount of crop residues is 1.3 times of the total yield of crops, 2 times of the total fodder of grassland, which covers 41% of China's territory. Crop residues of corn, wheat and rice amounted to 239, 137 and 116 million tons, respectively, accounting for nearly 80% of the total crop residues. Unfortunately, the utilizing structure is seriously improper for such abundant biomass resources. Although 23% of the crop residues are used for forage, 4% for industry materials and 0.5% for biogas, the large parts are used with lower efficiency or wasted, with 37% being directly combusted by farmers, 15% lost during collection and the rest 20.5% discarded or directly burnt in the field. Reasonable adjustment of the utilizing pattern and popularization of the recycling agriculture are essential out-ways for residues, with the development of the forage industry being the breakthrough point. We suggested that utilizing the abandoned 20.5% of the total residues for forage and combining agriculture and stock raising can greatly improve the farm system and cut down fertilizer pollution. Through the development of forage industries, the use efficiency of crop residues could be largely enhanced. Commercializing and popularizing technologies of biomass gasification and liquefaction might be substitute

  18. Overview and applicability of residual stress estimation of film-substrate structure

    International Nuclear Information System (INIS)

    Chou, Tsung-Lin; Yang, Shin-Yueh; Chiang, Kuo-Ning

    2011-01-01

    Residual stresses arising from thermal mismatch in layered structures rank among the major causes of mechanical failures in light-emitting diodes, integrated circuits, electronic packages, and micro-electro-mechanical systems. Applying analytical solutions to predict or calculate residual stresses' magnitude and distribution in multilayer film-substrate system has been widely adopted by many researchers. These researches are based on multilayer theories of film-substrate systems, such as Suhir's formula, Stoney's equation, and extend Stoney's equations. To discuss and distinguish the characteristics of these approaches, finite element analysis numerical solutions and multilayer theory analytical solutions are compared and analyzed. This encompasses the theories' application spectrum as well as their prediction capability. In addition, this work not only discusses the theories' property and workability but also demonstrate the feasibility of the finite element method (FEM) and bilayer theories in experiment. The experimental result demonstrates that FEM is a reliable approach in predicting the mechanical behavior of multilayer structures. Hence, when calculating or predicting thin film stress using the aforementioned theories, the methodology proposed in this research can be employed to effectively validate the feasibility of these theories.

  19. 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

  20. Comparison of Welding Residual Stresses of Hybrid Laser-Arc Welding and Submerged Arc Welding in Offshore Steel Structures

    DEFF Research Database (Denmark)

    Andreassen, Michael Joachim; Yu, Zhenzhen; Liu, Stephen

    2016-01-01

    In the offshore industry, welding-induced distortion and tensile residual stresses have become a major concern in relation to the structural integrity of a welded structure. Particularly, the continuous increase in size of welded plates and joints needs special attention concerning welding induced...... residual stresses. These stresses have a negative impact on the integrity of the welded joint as they promote distortion, reduce fatigue life, and contribute to corrosion cracking and premature failure in the weld components. This paper deals with the influence and impact of welding method on the welding...... induced residual stresses. It is also investigated whether the assumption of residual stresses up to yield strength magnitude are present in welded structures as stated in the design guidelines. The fatigue strength for welded joints is based on this assumption. The two welding methods investigated...

  1. Microscopic structure and properties changes of cassava stillage residue pretreated by mechanical activation.

    Science.gov (United States)

    Liao, Zhengda; Huang, Zuqiang; Hu, Huayu; Zhang, Yanjuan; Tan, Yunfang

    2011-09-01

    This study has focused on the pretreatment of cassava stillage residue (CSR) by mechanical activation (MA) using a self-designed stirring ball mill. The changes in surface morphology, functional groups and crystalline structure of pretreated CSR were examined by using scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD) under reasonable conditions. The results showed that MA could significantly damage the crystal structure of CSR, resulting in the variation of surface morphology, the increase of amorphous region ratio and hydrogen bond energy, and the decrease in crystallinity and crystalline size. But no new functional groups generated during milling, and the crystal type of cellulose in CSR still belonged to cellulose I after MA. Copyright © 2011 Elsevier Ltd. All rights reserved.

  2. PARAMETERS AFFECTING THE STRUCTURAL ANALYSIS OF A TUNNEL STRUCTURE EXPOSED TO FIRE

    Directory of Open Access Journals (Sweden)

    Omid Pouran

    2016-12-01

    Full Text Available Behaviour of cut-and-cover tunnels exposed to fire should be analysed by using a realistic structural model that takes account of mechanical and thermal effects on the structure. This has been performed with the aid of Finite Element (FE software package called SOFiSTiK in parallel, for two types of elements as a scope of research project financed by the German Bundesanstalt für Straßenwesen BAST. Since the stiffness of the structure at elevated temperatures is highly affected, a realistic model of structural behaviour of the tunnel could be only achieved by considering the nonlinear analysis of the structure. This has been performed for a 2–cell cut and cover tunnel by taking account of simultaneous reduction of stiffness and strength and the time-dependent increasing indirect effects due to axial constraints and temperature gradients induced by elevated temperatures. The thermal analyses have been performed and the effects were implemented into the structural model by the multi-layered strain model. The stress–strain model proposed by EN 1992-1-2 is implemented for the elevated temperature. Since there was sufficient amount of Polypropylene fibres in the concrete mixtures, modelling of spalling was excluded from the analysis. The critical corresponding stresses and material behaviour are compared and interpreted at different time stages. The main parameters affecting the accuracy and convergence of the results of structural analysis for the used model are identified: defining a realistic fire action, using concrete material model fulfilling the requirements of fire situation in tunnels, defining appropriate time intervals for load implementations. These parameters along with other parameters, which influence the results to a lesser degree, are identified and investigated in this paper.

  3. A pairwise residue contact area-based mean force potential for discrimination of native protein structure

    Directory of Open Access Journals (Sweden)

    Pezeshk Hamid

    2010-01-01

    Full Text Available Abstract Background Considering energy function to detect a correct protein fold from incorrect ones is very important for protein structure prediction and protein folding. Knowledge-based mean force potentials are certainly the most popular type of interaction function for protein threading. They are derived from statistical analyses of interacting groups in experimentally determined protein structures. These potentials are developed at the atom or the amino acid level. Based on orientation dependent contact area, a new type of knowledge-based mean force potential has been developed. Results We developed a new approach to calculate a knowledge-based potential of mean-force, using pairwise residue contact area. To test the performance of our approach, we performed it on several decoy sets to measure its ability to discriminate native structure from decoys. This potential has been able to distinguish native structures from the decoys in the most cases. Further, the calculated Z-scores were quite high for all protein datasets. Conclusions This knowledge-based potential of mean force can be used in protein structure prediction, fold recognition, comparative modelling and molecular recognition. The program is available at http://www.bioinf.cs.ipm.ac.ir/softwares/surfield

  4. SucStruct: Prediction of succinylated lysine residues by using structural properties of amino acids.

    Science.gov (United States)

    López, Yosvany; Dehzangi, Abdollah; Lal, Sunil Pranit; Taherzadeh, Ghazaleh; Michaelson, Jacob; Sattar, Abdul; Tsunoda, Tatsuhiko; Sharma, Alok

    2017-06-15

    Post-Translational Modification (PTM) is a biological reaction which contributes to diversify the proteome. Despite many modifications with important roles in cellular activity, lysine succinylation has recently emerged as an important PTM mark. It alters the chemical structure of lysines, leading to remarkable changes in the structure and function of proteins. In contrast to the huge amount of proteins being sequenced in the post-genome era, the experimental detection of succinylated residues remains expensive, inefficient and time-consuming. Therefore, the development of computational tools for accurately predicting succinylated lysines is an urgent necessity. To date, several approaches have been proposed but their sensitivity has been reportedly poor. In this paper, we propose an approach that utilizes structural features of amino acids to improve lysine succinylation prediction. Succinylated and non-succinylated lysines were first retrieved from 670 proteins and characteristics such as accessible surface area, backbone torsion angles and local structure conformations were incorporated. We used the k-nearest neighbors cleaning treatment for dealing with class imbalance and designed a pruned decision tree for classification. Our predictor, referred to as SucStruct (Succinylation using Structural features), proved to significantly improve performance when compared to previous predictors, with sensitivity, accuracy and Mathew's correlation coefficient equal to 0.7334-0.7946, 0.7444-0.7608 and 0.4884-0.5240, respectively. Copyright © 2017 Elsevier Inc. All rights reserved.

  5. Properties of soil pore space regulate pathways of plant residue decomposition and community structure of associated bacteria.

    Science.gov (United States)

    Negassa, Wakene C; Guber, Andrey K; Kravchenko, Alexandra N; Marsh, Terence L; Hildebrandt, Britton; Rivers, Mark L

    2015-01-01

    Physical protection of soil carbon (C) is one of the important components of C storage. However, its exact mechanisms are still not sufficiently lucid. The goal of this study was to explore the influence of soil structure, that is, soil pore spatial arrangements, with and without presence of plant residue on (i) decomposition of added plant residue, (ii) CO2 emission from soil, and (iii) structure of soil bacterial communities. The study consisted of several soil incubation experiments with samples of contrasting pore characteristics with/without plant residue, accompanied by X-ray micro-tomographic analyses of soil pores and by microbial community analysis of amplified 16S-18S rRNA genes via pyrosequencing. We observed that in the samples with substantial presence of air-filled well-connected large (>30 µm) pores, 75-80% of the added plant residue was decomposed, cumulative CO2 emission constituted 1,200 µm C g(-1) soil, and movement of C from decomposing plant residue into adjacent soil was insignificant. In the samples with greater abundance of water-filled small pores, 60% of the added plant residue was decomposed, cumulative CO2 emission constituted 2,000 µm C g(-1) soil, and the movement of residue C into adjacent soil was substantial. In the absence of plant residue the influence of pore characteristics on CO2 emission, that is on decomposition of the native soil organic C, was negligible. The microbial communities on the plant residue in the samples with large pores had more microbial groups known to be cellulose decomposers, that is, Bacteroidetes, Proteobacteria, Actinobacteria, and Firmicutes, while a number of oligotrophic Acidobacteria groups were more abundant on the plant residue from the samples with small pores. This study provides the first experimental evidence that characteristics of soil pores and their air/water flow status determine the phylogenetic composition of the local microbial community and directions and magnitudes of soil C

  6. Properties of Soil Pore Space Regulate Pathways of Plant Residue Decomposition and Community Structure of Associated Bacteria

    Science.gov (United States)

    Negassa, Wakene C.; Guber, Andrey K.; Kravchenko, Alexandra N.; Marsh, Terence L.; Hildebrandt, Britton; Rivers, Mark L.

    2015-01-01

    Physical protection of soil carbon (C) is one of the important components of C storage. However, its exact mechanisms are still not sufficiently lucid. The goal of this study was to explore the influence of soil structure, that is, soil pore spatial arrangements, with and without presence of plant residue on (i) decomposition of added plant residue, (ii) CO2 emission from soil, and (iii) structure of soil bacterial communities. The study consisted of several soil incubation experiments with samples of contrasting pore characteristics with/without plant residue, accompanied by X-ray micro-tomographic analyses of soil pores and by microbial community analysis of amplified 16S–18S rRNA genes via pyrosequencing. We observed that in the samples with substantial presence of air-filled well-connected large (>30 µm) pores, 75–80% of the added plant residue was decomposed, cumulative CO2 emission constituted 1,200 µm C g-1 soil, and movement of C from decomposing plant residue into adjacent soil was insignificant. In the samples with greater abundance of water-filled small pores, 60% of the added plant residue was decomposed, cumulative CO2 emission constituted 2,000 µm C g-1 soil, and the movement of residue C into adjacent soil was substantial. In the absence of plant residue the influence of pore characteristics on CO2 emission, that is on decomposition of the native soil organic C, was negligible. The microbial communities on the plant residue in the samples with large pores had more microbial groups known to be cellulose decomposers, that is, Bacteroidetes, Proteobacteria, Actinobacteria, and Firmicutes, while a number of oligotrophic Acidobacteria groups were more abundant on the plant residue from the samples with small pores. This study provides the first experimental evidence that characteristics of soil pores and their air/water flow status determine the phylogenetic composition of the local microbial community and directions and magnitudes of soil C

  7. 3D reconstruction of the structure of a residual limb for customising the design of a prosthetic socket.

    Science.gov (United States)

    Shuxian, Zheng; Wanhua, Zhao; Bingheng, Lu

    2005-01-01

    Aiming at overcoming the limitations of the plaster-casting method in traditional prosthetic socket fabrication, the idea of reconstructing the 3D models for bones and skin of the residual limb is proposed. Given the two-dimensional obtained image through CT scanning, using image processing and reverse engineering techniques, the 3D solid model of the residual limb can be successfully reconstructed. The new approach can reproduce both the internal and the external structure of the residual limb. It can moreover avoid making a positive mould by the way of manual modifications. In addition to this, it can provide a scientific basis for the individualization of prosthetic socket design.

  8. Carrier concentration effect and other structure-related parameters ...

    Indian Academy of Sciences (India)

    2017-05-20

    May 20, 2017 ... There are some phonon scattering mechanisms assumed, which are Umklapp and normal processes ... Silicon NWs are used as solar cells .... The fitting parameters of Si NWs used in this work for calculating LTC for each.

  9. Absence of residual structure in the intrinsically disordered regulatory protein CP12 in its reduced state

    Energy Technology Data Exchange (ETDEWEB)

    Launay, Hélène; Barré, Patrick [Laboratory of integrative Structural and Chemical Biology (iSCB), Centre de Recherche en Cancérologie de Marseille (CRCM), CNRS UMR 7258, INSERM U 1068, Institut Paoli-Calmettes, Aix-Marseille Universités, Marseille 13009 (France); Puppo, Carine [Aix-Marseille Université, Centre National de la Recherche Scientifique, UMR 7281, Laboratoire de Bioénergétique et Ingénierie des Protéines, 31 Chemin Joseph Aiguier, 13402, Marseille Cedex 20 (France); Manneville, Stéphanie [Laboratory of integrative Structural and Chemical Biology (iSCB), Centre de Recherche en Cancérologie de Marseille (CRCM), CNRS UMR 7258, INSERM U 1068, Institut Paoli-Calmettes, Aix-Marseille Universités, Marseille 13009 (France); Gontero, Brigitte [Aix-Marseille Université, Centre National de la Recherche Scientifique, UMR 7281, Laboratoire de Bioénergétique et Ingénierie des Protéines, 31 Chemin Joseph Aiguier, 13402, Marseille Cedex 20 (France); Receveur-Bréchot, Véronique, E-mail: veronique.brechot@inserm.fr [Laboratory of integrative Structural and Chemical Biology (iSCB), Centre de Recherche en Cancérologie de Marseille (CRCM), CNRS UMR 7258, INSERM U 1068, Institut Paoli-Calmettes, Aix-Marseille Universités, Marseille 13009 (France)

    2016-08-12

    The redox switch protein CP12 is a key player of the regulation of the Benson–Calvin cycle. Its oxidation state is controlled by the formation/dissociation of two intramolecular disulphide bridges during the day/night cycle. CP12 was known to be globally intrinsically disordered on a large scale in its reduced state, while being partly ordered in the oxidised state. By combining Nuclear Magnetic Resonance and Small Angle X-ray Scattering experiments, we showed that, contrary to secondary structure or disorder predictions, reduced CP12 is fully disordered, with no transient or local residual structure likely to be precursor of the structures identified in the oxidised active state and/or in the bound state with GAPDH or PRK. These results highlight the diversity of the mechanisms of regulation of conditionally disordered redox switches, and question the stability of oxidised CP12 scaffold. - Highlights: • CP12 is predicted to form two helices in its N-terminal sequence. • Reduced CP12 is disordered as a random coil according to SAXS. • Limited or no transient structures are observed in reduced CP12 by NMR.

  10. Absence of residual structure in the intrinsically disordered regulatory protein CP12 in its reduced state

    International Nuclear Information System (INIS)

    Launay, Hélène; Barré, Patrick; Puppo, Carine; Manneville, Stéphanie; Gontero, Brigitte; Receveur-Bréchot, Véronique

    2016-01-01

    The redox switch protein CP12 is a key player of the regulation of the Benson–Calvin cycle. Its oxidation state is controlled by the formation/dissociation of two intramolecular disulphide bridges during the day/night cycle. CP12 was known to be globally intrinsically disordered on a large scale in its reduced state, while being partly ordered in the oxidised state. By combining Nuclear Magnetic Resonance and Small Angle X-ray Scattering experiments, we showed that, contrary to secondary structure or disorder predictions, reduced CP12 is fully disordered, with no transient or local residual structure likely to be precursor of the structures identified in the oxidised active state and/or in the bound state with GAPDH or PRK. These results highlight the diversity of the mechanisms of regulation of conditionally disordered redox switches, and question the stability of oxidised CP12 scaffold. - Highlights: • CP12 is predicted to form two helices in its N-terminal sequence. • Reduced CP12 is disordered as a random coil according to SAXS. • Limited or no transient structures are observed in reduced CP12 by NMR.

  11. FragKB: structural and literature annotation resource of conserved peptide fragments and residues.

    Directory of Open Access Journals (Sweden)

    Ashish V Tendulkar

    Full Text Available BACKGROUND: FragKB (Fragment Knowledgebase is a repository of clusters of structurally similar fragments from proteins. Fragments are annotated with information at the level of sequence, structure and function, integrating biological descriptions derived from multiple existing resources and text mining. METHODOLOGY: FragKB contains approximately 400,000 conserved fragments from 4,800 representative proteins from PDB. Literature annotations are extracted from more than 1,700 articles and are available for over 12,000 fragments. The underlying systematic annotation workflow of FragKB ensures efficient update and maintenance of this database. The information in FragKB can be accessed through a web interface that facilitates sequence and structural visualization of fragments together with known literature information on the consequences of specific residue mutations and functional annotations of proteins and fragment clusters. FragKB is accessible online at http://ubio.bioinfo.cnio.es/biotools/fragkb/. SIGNIFICANCE: The information presented in FragKB can be used for modeling protein structures, for designing novel proteins and for functional characterization of related fragments. The current release is focused on functional characterization of proteins through inspection of conservation of the fragments.

  12. Structural analysis on mutation residues and interfacial water molecules for human TIM disease understanding

    Science.gov (United States)

    2013-01-01

    Background Human triosephosphate isomerase (HsTIM) deficiency is a genetic disease caused often by the pathogenic mutation E104D. This mutation, located at the side of an abnormally large cluster of water in the inter-subunit interface, reduces the thermostability of the enzyme. Why and how these water molecules are directly related to the excessive thermolability of the mutant have not been investigated in structural biology. Results This work compares the structure of the E104D mutant with its wild type counterparts. It is found that the water topology in the dimer interface of HsTIM is atypical, having a "wet-core-dry-rim" distribution with 16 water molecules tightly packed in a small deep region surrounded by 22 residues including GLU104. These water molecules are co-conserved with their surrounding residues in non-archaeal TIMs (dimers) but not conserved across archaeal TIMs (tetramers), indicating their importance in preserving the overall quaternary structure. As the structural permutation induced by the mutation is not significant, we hypothesize that the excessive thermolability of the E104D mutant is attributed to the easy propagation of atoms' flexibility from the surface into the core via the large cluster of water. It is indeed found that the B factor increment in the wet region is higher than other regions, and, more importantly, the B factor increment in the wet region is maintained in the deeply buried core. Molecular dynamics simulations revealed that for the mutant structure at normal temperature, a clear increase of the root-mean-square deviation is observed for the wet region contacting with the large cluster of interfacial water. Such increase is not observed for other interfacial regions or the whole protein. This clearly suggests that, in the E104D mutant, the large water cluster is responsible for the subunit interface flexibility and overall thermolability, and it ultimately leads to the deficiency of this enzyme. Conclusions Our study

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-02-15

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

  14. Three-residue turns in alpha/beta-peptides and their application in the design of tertiary structures.

    Science.gov (United States)

    Sharma, Gangavaram V M; Nagendar, Pendem; Ramakrishna, Kallaganti V S; Chandramouli, Nagula; Choudhary, Madavi; Kunwar, Ajit C

    2008-06-02

    A new three-residue turn was serendipitously discovered in alpha/beta hybrid peptides derived from alternating C-linked carbo-beta-amino acids (beta-Caa) and L-Ala residues. The three-residue beta-alpha-beta turn at the C termini, nucleated by a helix at the N termini, resulted in helix-turn (HT) supersecondary structures in these peptides. The turn in the HT motif is stabilized by two H bonds-CO(i-2)-NH(i), with a seven-membered pseudoring (gamma turn) in the backward direction, and NH(i-2)-CO(i), with a 13-membered pseudoring in the forward direction (i being the last residue)--at the C termini. The study was extended to generalize the new three-residue turn (beta-alpha-beta) by using different alpha- and beta-amino acids. Furthermore, the HT motifs were efficiently converted, by an extension with helical oligomers at the C termini, into peptides with novel helix-turn-helix (HTH) tertiary structures. However, this resulted in the destabilization of the beta-alpha-beta turn with the concomitant nucleation of another three-residue turn, alpha-beta-beta, which is stabilized by 11- and 15-membered bifurcated H bonds. Extensive NMR spectroscopic studies were carried out to delineate the secondary and tertiary structures in these peptides, which are further supported by molecular dynamics (MD) investigations.

  15. Ectomycorrhizal community structure and function in relation to forest residue harvesting and wood ash applications

    International Nuclear Information System (INIS)

    Mahmood, Shahid

    2000-05-01

    Ectomycorrhizal fungi form symbiotic associations with tree roots and assist in nutrient-uptake and -cycling in forest ecosystems, thereby constituting a most significant part of the microbial community. The aims of the studies described in this thesis were to evaluate the potential of DNA-based molecular methods in below-ground ectomycorrhizal community studies and to investigate changes in ectomycorrhizal communities on spruce roots in sites with different N deposition, and in sites subjected to harvesting of forest residues or application of wood ash. The ability of selected ectomycorrhizal fungi to mobilise nutrients from wood ash and to colonise root systems in the presence and absence of ash was also studied. In total 39 ectomycorrhizal species were detected in the experimental forests located in southern Sweden. At each site five to six species colonised around 60% of the root tips. The dominant species, common to the sites, were Tylospora fibrillosa, Thelephora terrestris and Cenococcum geophilum. Differences between two sites with differing levels of N deposition suggested that community structure may be influenced by N deposition, although site history, location and degree of isolation may also influence species composition. Repeated harvesting of forest residues reduced numbers of mycorrhizal roots in the humus layer to approximately 50% of that in control plots but no shift in the ectomycorrhizal community could be detected. At another site, application of granulated wood ash induced a shift in ectomycorrhizal community structure and three ectomycorrhizal fungi ('ash fungi') were found to colonise ash granules. Two 'ash fungi' showed a superior ability to solubilise stabilised wood ash in laboratory experiments compared to other ectomycorrhizal isolates from the same site. In laboratory microcosms containing intact mycorrhizal mycelia, colonisation of wood ash patches by one 'ash fungus' was good whereas colonisation by Piloderma croceum was poor. In a

  16. Influence of residual composition on the structure and properties of extracellular matrix derived hydrogels.

    Science.gov (United States)

    Claudio-Rizo, Jesús A; Rangel-Argote, Magdalena; Castellano, Laura E; Delgado, Jorge; Mata-Mata, José L; Mendoza-Novelo, Birzabith

    2017-10-01

    In this work, hydrolysates of extracellular matrix (hECM) were obtained from rat tail tendon (TR), bovine Achilles tendon (TAB), porcine small intestinal submucosa (SIS) and bovine pericardium (PB), and they were polymerized to generate ECM hydrogels. The composition of hECM was evaluated by quantifying the content of sulphated glycosaminoglycans (sGAG), fibronectin and laminin. The polymerization process, structure, physicochemical properties, in vitro degradation and biocompatibility were studied and related to their composition. The results indicated that the hECM derived from SIS and PB were significantly richer in sGAG, fibronectin and laminin, than those derived from TAB and TR. These differences in hECM composition influenced the polymerization and the structural characteristics of the fibrillar gel network. Consequently, the swelling, mechanics and degradation of the hydrogels showed a direct relationship with the remaining composition. Moreover, the cytocompatibility and the secretion of transforming growth factor beta-1 (TGF-β1) by macrophages were enhanced in hydrogels with the highest residual content of ECM biomolecules. The results of this work evidenced the role of the ECM molecules remaining after both decellularization and hydrolysis steps to produce tissue derived hydrogels with structure and properties tailored to enhance their performance in tissue engineering and regenerative medicine applications. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. 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)

  18. 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)

  19. Recovering a Probabilistic Knowledge Structure by Constraining Its Parameter Space

    Science.gov (United States)

    Stefanutti, Luca; Robusto, Egidio

    2009-01-01

    In the Basic Local Independence Model (BLIM) of Doignon and Falmagne ("Knowledge Spaces," Springer, Berlin, 1999), the probabilistic relationship between the latent knowledge states and the observable response patterns is established by the introduction of a pair of parameters for each of the problems: a lucky guess probability and a careless…

  20. Visco-piezo-elastic parameter estimation in laminated plate structures

    DEFF Research Database (Denmark)

    Araujo, A. L.; Mota Soares, C. M.; Herskovits, J.

    2009-01-01

    A parameter estimation technique is presented in this article, for identification of elastic, piezoelectric and viscoelastic properties of active laminated composite plates with surface-bonded piezoelectric patches. The inverse method presented uses experimental data in the form of a set of measu...

  1. Structured Control of Affine Linear Parameter Varying Systems

    DEFF Research Database (Denmark)

    Adegas, Fabiano Daher; Stoustrup, Jakob

    2011-01-01

    This paper presents a new procedure to design structured controllers for discrete-time affine linear parametervarying systems (A LPV). The class of control structures includes decentralized of any order, fixed order output feedback, simultaneous plant-control design, among others. A parametervarying...... non-convex condition for an upper bound on the induced L2-norm performance is solved by an iterative linear matrix inequalities (LMI) optimization algorithm. Numerical examples demostrate the effectiveness of the proposed approach....

  2. Characterization of the residual structure in the unfolded state of the Delta 131 Delta fragment of staphylococcal nuclease

    DEFF Research Database (Denmark)

    Francis, C. J.; Lindorff-Larsen, Kresten; Best, R. B.

    2006-01-01

    dynamics simulations to characterise the residual structure of the 131 fragment of staphylococcal nuclease under physiological conditions. Our findings indicate that 131 under these conditions shows a tendency to form transiently hydrophobic clusters similar to those present in the native state of wild......The determination of the conformational preferences in unfolded states of proteins constitutes an important challenge in structural biology. We use inter-residue distances estimated from site-directed spin-labeling NMR experimental measurements as ensemble-averaged restraints in all-atom molecular...

  3. 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.

  4. Atomic parity nonconservation: Electroweak parameters and nuclear structure

    International Nuclear Information System (INIS)

    Pollock, S.J.; Fortson, E.N.; Wilets, L.

    1992-01-01

    There have been suggestions to measure atomic parity nonconservation (PNC) along an isotopic chain, by taking ratios of observables in order to cancel complicated atomic-structure effects. Precise atomic PNC measurements could make a significant contribution to tests of the standard model at the level of one-loop radiative corrections. However, the results also depend upon certain features of nuclear structure, such as the spatial distribution of neutrons in the nucleus. To examine the sensitivity to nuclear structure, we consider the case of Pb isotopes using various recent relativistic and nonrelativistic nuclear model calculations. Contributions from nucleon internal weak structure are included, but found to be fairly negligible. The spread among present models in predicted sizes of nuclear-structure effects may preclude using Pb isotope ratios to test the standard model at better than a 1% level, unless there are adequate independent tests of the nuclear models by various alternative strong and electroweak nuclear probes. On the other hand, sufficiently accurate atomic PNC experiments would provide a unique method to measure neutron distributions in heavy nuclei

  5. 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.

  6. Networks of high mutual information define the structural proximity of catalytic sites: implications for catalytic residue identification.

    Directory of Open Access Journals (Sweden)

    Cristina Marino Buslje

    Full Text Available Identification of catalytic residues (CR is essential for the characterization of enzyme function. CR are, in general, conserved and located in the functional site of a protein in order to attain their function. However, many non-catalytic residues are highly conserved and not all CR are conserved throughout a given protein family making identification of CR a challenging task. Here, we put forward the hypothesis that CR carry a particular signature defined by networks of close proximity residues with high mutual information (MI, and that this signature can be applied to distinguish functional from other non-functional conserved residues. Using a data set of 434 Pfam families included in the catalytic site atlas (CSA database, we tested this hypothesis and demonstrated that MI can complement amino acid conservation scores to detect CR. The Kullback-Leibler (KL conservation measurement was shown to significantly outperform both the Shannon entropy and maximal frequency measurements. Residues in the proximity of catalytic sites were shown to be rich in shared MI. A structural proximity MI average score (termed pMI was demonstrated to be a strong predictor for CR, thus confirming the proposed hypothesis. A structural proximity conservation average score (termed pC was also calculated and demonstrated to carry distinct information from pMI. A catalytic likeliness score (Cls, combining the KL, pC and pMI measures, was shown to lead to significantly improved prediction accuracy. At a specificity of 0.90, the Cls method was found to have a sensitivity of 0.816. In summary, we demonstrate that networks of residues with high MI provide a distinct signature on CR and propose that such a signature should be present in other classes of functional residues where the requirement to maintain a particular function places limitations on the diversification of the structural environment along the course of evolution.

  7. Networks of high mutual information define the structural proximity of catalytic sites: implications for catalytic residue identification.

    Science.gov (United States)

    Marino Buslje, Cristina; Teppa, Elin; Di Doménico, Tomas; Delfino, José María; Nielsen, Morten

    2010-11-04

    Identification of catalytic residues (CR) is essential for the characterization of enzyme function. CR are, in general, conserved and located in the functional site of a protein in order to attain their function. However, many non-catalytic residues are highly conserved and not all CR are conserved throughout a given protein family making identification of CR a challenging task. Here, we put forward the hypothesis that CR carry a particular signature defined by networks of close proximity residues with high mutual information (MI), and that this signature can be applied to distinguish functional from other non-functional conserved residues. Using a data set of 434 Pfam families included in the catalytic site atlas (CSA) database, we tested this hypothesis and demonstrated that MI can complement amino acid conservation scores to detect CR. The Kullback-Leibler (KL) conservation measurement was shown to significantly outperform both the Shannon entropy and maximal frequency measurements. Residues in the proximity of catalytic sites were shown to be rich in shared MI. A structural proximity MI average score (termed pMI) was demonstrated to be a strong predictor for CR, thus confirming the proposed hypothesis. A structural proximity conservation average score (termed pC) was also calculated and demonstrated to carry distinct information from pMI. A catalytic likeliness score (Cls), combining the KL, pC and pMI measures, was shown to lead to significantly improved prediction accuracy. At a specificity of 0.90, the Cls method was found to have a sensitivity of 0.816. In summary, we demonstrate that networks of residues with high MI provide a distinct signature on CR and propose that such a signature should be present in other classes of functional residues where the requirement to maintain a particular function places limitations on the diversification of the structural environment along the course of evolution.

  8. Structured Linear Parameter Varying Control of Wind Turbines

    DEFF Research Database (Denmark)

    Adegas, Fabiano Daher; Sloth, Christoffer; Stoustrup, Jakob

    2012-01-01

    High performance and reliability are required for wind turbines to be competitive within the energy market. To capture their nonlinear behavior, wind turbines are often modeled using parameter-varying models. In this chapter, a framework for modelling and controller design of wind turbines is pre...... in the controller synthesis are solved by an iterative LMI-based algorithm. The resulting controllers can also be easily implemented in practice due to low data storage and simple math operations. The performance of the LPV controllers is assessed by nonlinear simulations results....

  9. Diverse effects of distance cutoff and residue interval on the performance of distance-dependent atom-pair potential in protein structure prediction.

    Science.gov (United States)

    Yao, Yuangen; Gui, Rong; Liu, Quan; Yi, Ming; Deng, Haiyou

    2017-12-08

    As one of the most successful knowledge-based energy functions, the distance-dependent atom-pair potential is widely used in all aspects of protein structure prediction, including conformational search, model refinement, and model assessment. During the last two decades, great efforts have been made to improve the reference state of the potential, while other factors that also strongly affect the performance of the potential have been relatively less investigated. Based on different distance cutoffs (from 5 to 22 Å) and residue intervals (from 0 to 15) as well as six different reference states, we constructed a series of distance-dependent atom-pair potentials and tested them on several groups of structural decoy sets collected from diverse sources. A comprehensive investigation has been performed to clarify the effects of distance cutoff and residue interval on the potential's performance. Our results provide a new perspective as well as a practical guidance for optimizing distance-dependent statistical potentials. The optimal distance cutoff and residue interval are highly related with the reference state that the potential is based on, the measurements of the potential's performance, and the decoy sets that the potential is applied to. The performance of distance-dependent statistical potential can be significantly improved when the best statistical parameters for the specific application environment are adopted.

  10. Retrieval of Effective Parameters of Subwavelength Periodic Photonic Structures

    DEFF Research Database (Denmark)

    Orlov, Alexey A.; Yankovskaya, Elizaveta A.; Zhukovsky, Sergei

    2014-01-01

    We revisit the standard Nicolson Ross Weir method of effective permittivity and permeability restoration of photonic structures for the case of subwavelength metal-dielectric multilayers. We show that the direct application of the standard method yields a false zero-epsilon point and an associated...

  11. On Structure, Family and Parameter Estimation of Hierarchical Archimedean Copulas

    Czech Academy of Sciences Publication Activity Database

    Górecki, J.; Hofert, M.; Holeňa, Martin

    2017-01-01

    Roč. 87, č. 17 (2017), s. 3261-3324 ISSN 0094-9655 R&D Projects: GA ČR GA17-01251S Institutional support: RVO:67985807 Keywords : copula estimation * goodness-of-fit * Hierarchical Archimedean copula * structure determination Subject RIV: IN - Informatics, Computer Science OBOR OECD: Statistics and probability Impact factor: 0.757, year: 2016

  12. Robustness of Modal Parameter Estimation Methods Applied to Lightweight Structures

    DEFF Research Database (Denmark)

    Dickow, Kristoffer Ahrens; Kirkegaard, Poul Henning; Andersen, Lars Vabbersgaard

    2013-01-01

    On-going research is concerned with the losses that occur at junctions in lightweight building structures. Recently the authors have investigated the underlying uncertainties related to both measurement, material and craftsmanship of timber junctions by means of repeated modal testing on a number...

  13. Direct structural parameter identification by modal test results

    Science.gov (United States)

    Chen, J.-C.; Kuo, C.-P.; Garba, J. A.

    1983-01-01

    A direct identification procedure is proposed to obtain the mass and stiffness matrices based on the test measured eigenvalues and eigenvectors. The method is based on the theory of matrix perturbation in which the correct mass and stiffness matrices are expanded in terms of analytical values plus a modification matrix. The simplicity of the procedure enables real time operation during the structural testing.

  14. Ectomycorrhizal community structure and function in relation to forest residue harvesting and wood ash applications

    Energy Technology Data Exchange (ETDEWEB)

    Mahmood, Shahid

    2000-05-01

    Ectomycorrhizal fungi form symbiotic associations with tree roots and assist in nutrient-uptake and -cycling in forest ecosystems, thereby constituting a most significant part of the microbial community. The aims of the studies described in this thesis were to evaluate the potential of DNA-based molecular methods in below-ground ectomycorrhizal community studies and to investigate changes in ectomycorrhizal communities on spruce roots in sites with different N deposition, and in sites subjected to harvesting of forest residues or application of wood ash. The ability of selected ectomycorrhizal fungi to mobilise nutrients from wood ash and to colonise root systems in the presence and absence of ash was also studied. In total 39 ectomycorrhizal species were detected in the experimental forests located in southern Sweden. At each site five to six species colonised around 60% of the root tips. The dominant species, common to the sites, were Tylospora fibrillosa, Thelephora terrestris and Cenococcum geophilum. Differences between two sites with differing levels of N deposition suggested that community structure may be influenced by N deposition, although site history, location and degree of isolation may also influence species composition. Repeated harvesting of forest residues reduced numbers of mycorrhizal roots in the humus layer to approximately 50% of that in control plots but no shift in the ectomycorrhizal community could be detected. At another site, application of granulated wood ash induced a shift in ectomycorrhizal community structure and three ectomycorrhizal fungi ('ash fungi') were found to colonise ash granules. Two 'ash fungi' showed a superior ability to solubilise stabilised wood ash in laboratory experiments compared to other ectomycorrhizal isolates from the same site. In laboratory microcosms containing intact mycorrhizal mycelia, colonisation of wood ash patches by one 'ash fungus' was good whereas colonisation by

  15. Residual structure of Streptococcus mutans biofilm following complete disinfection favors secondary bacterial adhesion and biofilm re-development.

    Directory of Open Access Journals (Sweden)

    Tatsuya Ohsumi

    Full Text Available Chemical disinfection of oral biofilms often leaves biofilm structures intact. This study aimed to examine whether the residual structure promotes secondary bacterial adhesion. Streptococcus mutans biofilms generated on resin-composite disks in a rotating disc reactor were disinfected completely with 70% isopropyl alcohol, and were again cultured in the same reactor after resupplying with the same bacterial solution. Specimens were subjected to fluorescence confocal laser scanning microscopy, viable cell counts and PCR-Invader assay in order to observe and quantify secondarily adhered cells. Fluorescence microscopic analysis, particularly after longitudinal cryosectioning, demonstrated stratified patterns of viable cells on the disinfected biofilm structure. Viable cell counts of test specimens were significantly higher than those of controls, and increased according to the amount of residual structure and culture period. Linear regression analysis exhibited a high correlation between viable and total cell counts. It was concluded that disinfected biofilm structures favored secondary bacterial adhesion.

  16. [Environment of tryptophan residues in proteins--a factor for stability to oxidative nitrosylation. I. Analysis of primary structure].

    Science.gov (United States)

    Beda, N V; Nedospasov, A A

    2001-01-01

    Micellar catalysis under aerobic conditions effectively accelerates oxidative nitrosylation because of solubilization of NO and O2 by protein membranes and hydrophobic nuclei. Nitrosylating intermediates NOx (NO2, N2O3, N2O4) form mainly in the hydrophobic phase, and therefore their solubility in aqueous phase is low and hydrolysis is rapid, local concentration of NOx in the hydrophobic phase being essentially higher than in aqueous. Tryptophan is a hydrophobic residue and can nitrosylate with the formation of isomer N-nitrosotryptophans (NOW). Without denitrosylation mechanism, the accumulation of NOW in proteins of NO-synthesizing organisms would be constant, and long-living proteins would contain essential amounts of NOW, which is however not the case. Using Protein Data Bank (more than 78,000 sequences) we investigated the distribution of tryptophan residues environment (22 residues on each side of polypeptide chain) in proteins with known primary structure. Charged and polar residues (D, H, K, N, Q, R, S) are more incident in the immediate surrounding of tryptophan (-6, -5, -2, -1, 1, 2, 4) and hydrophobic residues (A, F, I, L, V, Y) are more rare than in remote positions. Hence, an essential part of tryptophan residues is situated in hydrophilic environment, which decreases the nitrosylation velocity because of lower NOx concentration in aqueous phase and allows the denitrosylation reactions course via nitrosonium ion transfer on nucleophils of functional groups of protein and low-molecular compounds in aqueous phase.

  17. Design of Structural Parameters for Centrifugal Elevator Overspeed Governors

    Directory of Open Access Journals (Sweden)

    Song Yunpu

    2014-01-01

    Full Text Available As an important part of overspeed and fail-safe protection for elevators, the centrifugal elevator overspeed governor is a device for limiting overspeed of elevator cars. This paper researches on the vibration of the centrifugal block, which plays a key role in the performance of this overspeed governor. By performing dynamics analysis on the centrifugal block, the differential equation on the vibration of the centrifugal block is established. Based on this, the paper performs simulation analysis on the influence of systematic parameters such as the speed of the overspeed governor sheave, the mass of centrifugal block, the turning radius of the centrifugal block, the position where the spring acts, and the stiffness of the centrifugal block spring, on the vibration of the centrifugal block, and finds out their specific influence relationship.

  18. Cosmological Parameter Estimation with Large Scale Structure Observations

    CERN Document Server

    Di Dio, Enea; Durrer, Ruth; Lesgourgues, Julien

    2014-01-01

    We estimate the sensitivity of future galaxy surveys to cosmological parameters, using the redshift dependent angular power spectra of galaxy number counts, $C_\\ell(z_1,z_2)$, calculated with all relativistic corrections at first order in perturbation theory. We pay special attention to the redshift dependence of the non-linearity scale and present Fisher matrix forecasts for Euclid-like and DES-like galaxy surveys. We compare the standard $P(k)$ analysis with the new $C_\\ell(z_1,z_2)$ method. We show that for surveys with photometric redshifts the new analysis performs significantly better than the $P(k)$ analysis. For spectroscopic redshifts, however, the large number of redshift bins which would be needed to fully profit from the redshift information, is severely limited by shot noise. We also identify surveys which can measure the lensing contribution and we study the monopole, $C_0(z_1,z_2)$.

  19. Parameter and Structure Inference for Nonlinear Dynamical Systems

    Science.gov (United States)

    Morris, Robin D.; Smelyanskiy, Vadim N.; Millonas, Mark

    2006-01-01

    A great many systems can be modeled in the non-linear dynamical systems framework, as x = f(x) + xi(t), where f() is the potential function for the system, and xi is the excitation noise. Modeling the potential using a set of basis functions, we derive the posterior for the basis coefficients. A more challenging problem is to determine the set of basis functions that are required to model a particular system. We show that using the Bayesian Information Criteria (BIC) to rank models, and the beam search technique, that we can accurately determine the structure of simple non-linear dynamical system models, and the structure of the coupling between non-linear dynamical systems where the individual systems are known. This last case has important ecological applications.

  20. Typological Structure of German Phraseology Outside Germany. Quantitative Parameters

    Directory of Open Access Journals (Sweden)

    О. Ya. Ostapovych

    2016-12-01

    Full Text Available The article deals with the modern theoretical concept in study of the variation of German phraseology abroad Germany. It is based on the synthesis of the theory of equal-righted pluricentrism with the new achievements of the cognitive linguistics. As a result the national state linguistic variant is considered as different from the regional, normatively non-codified and dialectal variation, a kind of cluster variant idiomatic thesaurus. The hypothesis of the structural isomorphy of the variant phraseology compared to the common German one has been empirically verified and vice versa - the hypothesis of the quantitative predominance in the Austrian phraseology of the structural model Adj+Sub under the Slavic linguistic influence has also been falsified.

  1. Graphite structure and magnetic parameters of flake graphite cast iron

    Czech Academy of Sciences Publication Activity Database

    Vértesy, G.; Uchimoto, T.; Takagi, T.; Tomáš, Ivan; Kage, H.

    2017-01-01

    Roč. 442, Nov (2017), s. 397-402 ISSN 0304-8853 R&D Projects: GA ČR GB14-36566G Institutional support: RVO:68378271 Keywords : magnetic NDE * magnetic adaptive testing * cast iron * graphite structure * pearlite content Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.630, year: 2016

  2. Structural similarity image quality reliability: Determining parameters and window size

    OpenAIRE

    Silvestre-Blanes, Javier

    2011-01-01

    The need to obtain objective values of the quality of distorted images with respect to the original is fundamental in multimedia and image processing applications. It is generally required that this value correlates well with the human vision system (HVS). In spite of the properties and the general use of the mean square error (MSE) measurement, this has a poor correlation with HSV, which has led to the development of methods such as structural similarity (SSIM). This metric improves the corr...

  3. Residual strain dependence on the matrix structure in RHQ-Nb3Al wires by neutron diffraction measurement

    International Nuclear Information System (INIS)

    Jin Xinzhe; Nakamoto, Tatsushi; Tsuchiya, Kiyosumi; Ogitsu, Toru; Yamamoto, Akira; Ito, Takayoshi; Harjo, Stefanus; Kikuchi, Akihiro; Takeuchi, Takao; Hemmi, Tsutomu

    2012-01-01

    We prepared three types of non-Cu RHQ-Nb 3 Al wire sample with different matrix structures: an all-Ta matrix, a composite matrix of Nb and Ta with a Ta inter-filament, and an all-Nb matrix. Neutron diffraction patterns of the wire samples were measured at room temperature in the J-PARC ‘TAKUMI’. To obtain the residual strains of the materials, we estimated the lattice constant a by multi-peak analysis in the wires. A powder sample of each wire was measured, where the powder was considered to be strain free. The grain size of all the powder samples was below 0.02 mm. For the wire sample with the all-Nb matrix, we also obtained the lattice spacing d by a single-peak analysis. The residual strains of the Nb 3 Al filament were estimated from the two analysis results and were compared. The resulting residual strains obtained from the multi-peak analysis showed a good accuracy with small standard deviation. The multi-peak analysis results for the residual strains of the Nb 3 Al filaments in the three samples (without Cu plating) were all tensile residual strain in the axial direction, of 0.12%, 0.12%, and 0.05% for the all-Ta matrix, the composite matrix, and the all-Nb matrix, respectively. The difference in the residual strain of the Nb 3 Al filament between the composite and all-Nb matrix samples indicates that the type of inter-filament material shows a great effect on the residual strain. In this paper, we report the method of measurement, method of analysis, and results for the residual strain in the three types of non-Cu RHQ-Nb 3 Al wires. (paper)

  4. 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.

  5. Effects of LSP on micro-structures and residual stresses in a 4 mm CLAM steel weld joints

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xizhang, E-mail: chenxizhang@wzu.edu.cn [School of Mechanical and Electrical Engineering, Wenzhou University., Wenzhou 325035 (China); School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013, Jiangsu (China); Fang, Yuanyuan [School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013, Jiangsu (China); Zhang, Shuyan; Kelleher, Joe F. [ISIS, Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX (United Kingdom); Zhou, Jianzhong [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013, Jiangsu (China)

    2015-05-15

    The effects of laser shock processing (LSP) on the distribution of residual stress and micro-structure of China Low Activation Martensitic (CLAM) steel weldment were investigated via neutron diffraction and optical microscope (OM). A pair of 4 mm CLAM steel plates joined by GTA welding. Special attention is paid to the generation of high level compressive residual stresses introduced by LSP. Residual stress in longitudinal, normal and transversal direction at weldment surface and longitudinal stress through thickness are evaluated via neutron diffraction. Compressive residual stress after LSP occurred at more than 90% areas within the weld joint, it is almost double the areas of compressive stress compare to weldment surface before LSP. The maximum compressive normal residual stress becomes to −183 MPa after LSP from −63 MPa before LSP. The Modification of surface micro-structures including weld zone (WZ), heat affected zone (HAZ) and base metal (BM) are also discussed. Results to date demonstrate that laser shock processing has been a great potential method for the improvement of mechanical performance of components.

  6. Effect of projectile structure on evaporation residue yields in incomplete fusion reactions

    CERN Document Server

    Babu, K S; Sudarshan, K; Shrivastava, B D; Goswami, A; Tomar, B S

    2003-01-01

    The excitation functions of heavy residues, representing complete and incomplete fusion products, produced in the reaction of sup 1 sup 2 C and sup 1 sup 3 C on sup 1 sup 8 sup 1 Ta have been measured over the projectile energy range of 5 to 6.5 MeV/nucleon by the recoil catcher method and off-line gamma-ray spectrometry. Comparison of the measured excitation functions with those calculated using the PACE2 code based on the statistical model revealed the occurrence of incomplete fusion reactions in the formation of alpha emission products. The fraction of incomplete fusion cross sections in the sup 1 sup 2 C + sup 1 sup 8 sup 1 Ta reaction was found to be higher, by a factor of approx 2, than that in the sup 1 sup 3 C + sup 1 sup 8 sup 1 Ta reaction. The results have been discussed in terms of the effect of alpha cluster structure of the projectile on incomplete fusion reactions.

  7. Substantial population structure of Plasmodium vivax in Thailand facilitates identification of the sources of residual transmission.

    Directory of Open Access Journals (Sweden)

    Veerayuth Kittichai

    2017-10-01

    Full Text Available Plasmodium vivax transmission in Thailand has been substantially reduced over the past 10 years, yet it remains highly endemic along international borders. Understanding the genetic relationship of residual parasite populations can help track the origins of the parasites that are reintroduced into malaria-free regions within the country.A total of 127 P. vivax isolates were genotyped from two western provinces (Tak and Kanchanaburi and one eastern province (Ubon Ratchathani of Thailand using 10 microsatellite markers. Genetic diversity was high, but recent clonal expansion was detected in all three provinces. Substantial population structure and genetic differentiation of parasites among provinces suggest limited gene flow among these sites. There was no haplotype sharing among the three sites, and a reduced panel of four microsatellite markers was sufficient to assign the parasites to their provincial origins.Significant parasite genetic differentiation between provinces shows successful interruption of parasite spread within Thailand, but high diversity along international borders implies a substantial parasite population size in these regions. The provincial origin of P. vivax cases can be reliably determined by genotyping four microsatellite markers, which should be useful for monitoring parasite reintroduction after malaria elimination.

  8. Substantial population structure of Plasmodium vivax in Thailand facilitates identification of the sources of residual transmission.

    Science.gov (United States)

    Kittichai, Veerayuth; Koepfli, Cristian; Nguitragool, Wang; Sattabongkot, Jetsumon; Cui, Liwang

    2017-10-01

    Plasmodium vivax transmission in Thailand has been substantially reduced over the past 10 years, yet it remains highly endemic along international borders. Understanding the genetic relationship of residual parasite populations can help track the origins of the parasites that are reintroduced into malaria-free regions within the country. A total of 127 P. vivax isolates were genotyped from two western provinces (Tak and Kanchanaburi) and one eastern province (Ubon Ratchathani) of Thailand using 10 microsatellite markers. Genetic diversity was high, but recent clonal expansion was detected in all three provinces. Substantial population structure and genetic differentiation of parasites among provinces suggest limited gene flow among these sites. There was no haplotype sharing among the three sites, and a reduced panel of four microsatellite markers was sufficient to assign the parasites to their provincial origins. Significant parasite genetic differentiation between provinces shows successful interruption of parasite spread within Thailand, but high diversity along international borders implies a substantial parasite population size in these regions. The provincial origin of P. vivax cases can be reliably determined by genotyping four microsatellite markers, which should be useful for monitoring parasite reintroduction after malaria elimination.

  9. Alkaline and Organosolv Lignins from Furfural Residue: Structural Features and Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Xue-Fei Cao

    2013-12-01

    Full Text Available Furfural residue (FR, composed mainly of cellulose and lignin, is an industrial waste produced during furfural manufacture. In this study, dioxane, alkali, ethanol, alkali-ethanol, and alkaline hydrogen peroxide (AHP were used to extract lignins from FR. The structural features of these lignins obtained were characterized by sugar analysis, GPC, UV, FT-IR, and HSQC spectra. As compared to dioxane lignin (DL, other lignins showed lower molecular weights (Mw owing to the partial cleavage of the linkages between lignin units. Results from HSQC spectra revealed that β-O-4' and β-5' were still the major linkages of the FR lignin. Moreover, p-coumaric and ferulic acids were released and co-precipitated in the lignin preparations extracted with alkali and AHP, whereas part of the esters in DL were preserved during the dioxane extraction. Antioxidant activity investigation indicated that the antioxidant property of the alkali and alkali-ethanol lignins was higher than that of the commercial antioxidant, butylated hydroxytoluene.

  10. Mutational and structural analyses of Caldanaerobius polysaccharolyticus Man5B reveal novel active site residues for family 5 glycoside hydrolases.

    Science.gov (United States)

    Oyama, Takuji; Schmitz, George E; Dodd, Dylan; Han, Yejun; Burnett, Alanna; Nagasawa, Naoko; Mackie, Roderick I; Nakamura, Haruki; Morikawa, Kosuke; Cann, Isaac

    2013-01-01

    CpMan5B is a glycoside hydrolase (GH) family 5 enzyme exhibiting both β-1,4-mannosidic and β-1,4-glucosidic cleavage activities. To provide insight into the amino acid residues that contribute to catalysis and substrate specificity, we solved the structure of CpMan5B at 1.6 Å resolution. The structure revealed several active site residues (Y12, N92 and R196) in CpMan5B that are not present in the active sites of other structurally resolved GH5 enzymes. Residue R196 in GH5 enzymes is thought to be strictly conserved as a histidine that participates in an electron relay network with the catalytic glutamates, but we show that an arginine fulfills a functionally equivalent role and is found at this position in every enzyme in subfamily GH5_36, which includes CpMan5B. Residue N92 is required for full enzymatic activity and forms a novel bridge over the active site that is absent in other family 5 structures. Our data also reveal a role of Y12 in establishing the substrate preference for CpMan5B. Using these molecular determinants as a probe allowed us to identify Man5D from Caldicellulosiruptor bescii as a mannanase with minor endo-glucanase activity.

  11. Development of residual thermal stress-relieving structure of CFC monoblock target for JT-60SA divertor

    Energy Technology Data Exchange (ETDEWEB)

    Tsuru, Daigo, E-mail: tsuru.daigo@jaea.go.jp; Sakurai, Shinji; Nakamura, Shigetoshi; Ozaki, Hidetsugu; Seki, Yohji; Yokoyama, Kenji; Suzuki, Satoshi

    2015-10-15

    Highlights: • We carried out numerical simulations on residual thermal stress of targets for the JT-60SA divertor. • We developed three measures to reduce residual thermal stress. • We proposed two structures of CFC monoblock target for the JT-60SA divertor. • We confirmed the effectiveness of the structure by infrared thermography inspection and high heat flux test. - Abstract: Carbon fibre-reinforced carbon composite (CFC) monoblock target for JT-60SA divertor is under development towards the mass-production. CFC monoblocks, WCu interlayers and a CuCrZr cooling tube at the centre of the monoblocks were bonded by vacuum brazing in a high temperature, to a target. If residual thermal stress due to difference of thermal expansions between CFC and CuCrZr exceeds the maximum allowable stress of the CFC after the bonding, cracks are generated in the CFC monoblock and heat removal capacity of the target degrades. In this paper, new structures of the targets were proposed, to reduce residual thermal stress and to mitigate the degradation of heat removal capacity of the targets. Some measures, including slitting of the CFC monoblock aside of the cooling tube, replacement of the interlayer material and shifting the position of the cooling tube, were implemented. The effectiveness of the measures was evaluated by numerical simulations. Target mock-ups with the proposed structures were manufactured. Infrared thermography inspection and high heat flux test were carried out on the mock-ups in order to evaluate the heat removal capacity.

  12. Mutational and structural analyses of Caldanaerobius polysaccharolyticus Man5B reveal novel active site residues for family 5 glycoside hydrolases.

    Directory of Open Access Journals (Sweden)

    Takuji Oyama

    Full Text Available CpMan5B is a glycoside hydrolase (GH family 5 enzyme exhibiting both β-1,4-mannosidic and β-1,4-glucosidic cleavage activities. To provide insight into the amino acid residues that contribute to catalysis and substrate specificity, we solved the structure of CpMan5B at 1.6 Å resolution. The structure revealed several active site residues (Y12, N92 and R196 in CpMan5B that are not present in the active sites of other structurally resolved GH5 enzymes. Residue R196 in GH5 enzymes is thought to be strictly conserved as a histidine that participates in an electron relay network with the catalytic glutamates, but we show that an arginine fulfills a functionally equivalent role and is found at this position in every enzyme in subfamily GH5_36, which includes CpMan5B. Residue N92 is required for full enzymatic activity and forms a novel bridge over the active site that is absent in other family 5 structures. Our data also reveal a role of Y12 in establishing the substrate preference for CpMan5B. Using these molecular determinants as a probe allowed us to identify Man5D from Caldicellulosiruptor bescii as a mannanase with minor endo-glucanase activity.

  13. HemeBIND: a novel method for heme binding residue prediction by combining structural and sequence information

    Directory of Open Access Journals (Sweden)

    Hu Jianjun

    2011-05-01

    Full Text Available Abstract Background Accurate prediction of binding residues involved in the interactions between proteins and small ligands is one of the major challenges in structural bioinformatics. Heme is an essential and commonly used ligand that plays critical roles in electron transfer, catalysis, signal transduction and gene expression. Although much effort has been devoted to the development of various generic algorithms for ligand binding site prediction over the last decade, no algorithm has been specifically designed to complement experimental techniques for identification of heme binding residues. Consequently, an urgent need is to develop a computational method for recognizing these important residues. Results Here we introduced an efficient algorithm HemeBIND for predicting heme binding residues by integrating structural and sequence information. We systematically investigated the characteristics of binding interfaces based on a non-redundant dataset of heme-protein complexes. It was found that several sequence and structural attributes such as evolutionary conservation, solvent accessibility, depth and protrusion clearly illustrate the differences between heme binding and non-binding residues. These features can then be separately used or combined to build the structure-based classifiers using support vector machine (SVM. The results showed that the information contained in these features is largely complementary and their combination achieved the best performance. To further improve the performance, an attempt has been made to develop a post-processing procedure to reduce the number of false positives. In addition, we built a sequence-based classifier based on SVM and sequence profile as an alternative when only sequence information can be used. Finally, we employed a voting method to combine the outputs of structure-based and sequence-based classifiers, which demonstrated remarkably better performance than the individual classifier alone

  14. Conformational Stability, Structural Parameters And Vibrational Assignments of Allantoin

    International Nuclear Information System (INIS)

    Haman, S.

    2008-01-01

    Allantoin 2,5-Dioxo-4-imidazolinyl) urea , the diureide of glyoxylic acid, is a crystallisable oxidation product of uric acid found in allantoic and amniotic fluids, in fetal urine and in many plants. It is a healing, moisturizing, soothing and anti-irritating, keratolytic and non-toxic agent useful in dermatological, cosmetic and veterinary preparation. The optimized geometries and energies of the low-energy conformers of allantoin have been calculated using density functional theory (Daft) method. The calculations were performed with Beck's nonlocal three-parameter hybrid functional in combination with the Lee, Yang, and Parr correlation functional (By-play) using the 6-311++G(d,p) basis set. We calculated the infrared frequencies and intensities of the most stable conformers in order to assist in the assignment of the vibrational bands in the experimental spectrum. The B3LYP/6-311+G(d,p) harmonic force constants were scaled by applying the scaled quantum mechanical force field (SQM) technique. The calculated vibrational spectra were interpreted and band assignments were reported

  15. Deriving structural forest parameters using airborne laser scanning

    International Nuclear Information System (INIS)

    Morsdorf, F.

    2011-01-01

    Airborne laser scanning is a relatively young and precise technology to directly measure surface elevations. With today's high scanning rates, dense 3-D pointclouds of coordinate triplets (xyz) can be provided, in which many structural aspects of the vegetation are contained. The challenge now is to transform this data, as far as possible automatically, into manageable information relevant to the user. In this paper we present two such methods: the first extracts automatically the geometry of individual trees, with a recognition rate of over 70% and a systematic underestimation of tree height of only 0.6 metres. The second method derives a pixel map of the canopy density from the pointcloud, in which the spatial patterns of vegetation cover are represented. These patterns are relevant for habitat analysis and ecosystem studies. The values derived by this method correlate well with field measurements, giving a measure of certainty (R 2 ) of 0.8. The greatest advantage of airborne laser scanning is that it provides spatially extensive, direct measurements of vegetation structure which show none of the extrapolation errors of spot measurements. A large challenge remains in integrating these new products into the user's processing chains and workflows, be it in the realm of forestry or in that of ecosystem research. (author) [de

  16. Quantitative assessment of Aluminium cast Alloys` structural parameters to optimize ITS properties

    Directory of Open Access Journals (Sweden)

    L. Kuchariková

    2017-01-01

    Full Text Available The present work deals with evaluation of eutectic Si (its shape, size, and distribution, dendrite cell size and dendrite arm spacing in aluminium cast alloys which were cast into different moulds (sand and metallic. Structural parameters were evaluated using NIS-Elements image analyser software. This software is imaging analysis software for the evaluation, capture, archiving and automated measurement of structural parameters. The control of structural parameters by NIS Elements shows that optimum mechanical properties of aluminium cast alloys strongly depend on the distribution, morphology, size of eute ctic Si and matrix parameters.

  17. NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, Emel Maden; Güntert, Peter, E-mail: guentert@em.uni-frankfurt.de [Goethe University Frankfurt am Main, Center for Biomolecular Magnetic Resonance, Institute of Biophysical Chemistry (Germany)

    2015-09-15

    An algorithm, CYLIB, is presented for converting molecular topology descriptions from the PDB Chemical Component Dictionary into CYANA residue library entries. The CYANA structure calculation algorithm uses torsion angle molecular dynamics for the efficient computation of three-dimensional structures from NMR-derived restraints. For this, the molecules have to be represented in torsion angle space with rotations around covalent single bonds as the only degrees of freedom. The molecule must be given a tree structure of torsion angles connecting rigid units composed of one or several atoms with fixed relative positions. Setting up CYANA residue library entries therefore involves, besides straightforward format conversion, the non-trivial step of defining a suitable tree structure of torsion angles, and to re-order the atoms in a way that is compatible with this tree structure. This can be done manually for small numbers of ligands but the process is time-consuming and error-prone. An automated method is necessary in order to handle the large number of different potential ligand molecules to be studied in drug design projects. Here, we present an algorithm for this purpose, and show that CYANA structure calculations can be performed with almost all small molecule ligands and non-standard amino acid residues in the PDB Chemical Component Dictionary.

  18. Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein’s structural organization

    Directory of Open Access Journals (Sweden)

    Sengupta Dhriti

    2012-06-01

    Full Text Available Abstract Background The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. Results The largest connected component (LCC of long (LRN-, short (SRN- and all-range (ARN networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don’t. While the nature of transitions of LCC’s sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at

  19. Parameter Estimation of Structural Equation Modeling Using Bayesian Approach

    Directory of Open Access Journals (Sweden)

    Dewi Kurnia Sari

    2016-05-01

    Full Text Available Leadership is a process of influencing, directing or giving an example of employees in order to achieve the objectives of the organization and is a key element in the effectiveness of the organization. In addition to the style of leadership, the success of an organization or company in achieving its objectives can also be influenced by the commitment of the organization. Where organizational commitment is a commitment created by each individual for the betterment of the organization. The purpose of this research is to obtain a model of leadership style and organizational commitment to job satisfaction and employee performance, and determine the factors that influence job satisfaction and employee performance using SEM with Bayesian approach. This research was conducted at Statistics FNI employees in Malang, with 15 people. The result of this study showed that the measurement model, all significant indicators measure each latent variable. Meanwhile in the structural model, it was concluded there are a significant difference between the variables of Leadership Style and Organizational Commitment toward Job Satisfaction directly as well as a significant difference between Job Satisfaction on Employee Performance. As for the influence of Leadership Style and variable Organizational Commitment on Employee Performance directly declared insignificant.

  20. Analysis of ionospheric structure influences on residual ionospheric errors in GNSS radio occultation bending angles based on ray tracing simulations

    Science.gov (United States)

    Liu, Congliang; Kirchengast, Gottfried; Sun, Yueqiang; Zhang, Kefei; Norman, Robert; Schwaerz, Marc; Bai, Weihua; Du, Qifei; Li, Ying

    2018-04-01

    The Global Navigation Satellite System (GNSS) radio occultation (RO) technique is widely used to observe the atmosphere for applications such as numerical weather prediction and global climate monitoring. The ionosphere is a major error source to RO at upper stratospheric altitudes, and a linear dual-frequency bending angle correction is commonly used to remove the first-order ionospheric effect. However, the higher-order residual ionospheric error (RIE) can still be significant, so it needs to be further mitigated for high-accuracy applications, especially from 35 km altitude upward, where the RIE is most relevant compared to the decreasing magnitude of the atmospheric bending angle. In a previous study we quantified RIEs using an ensemble of about 700 quasi-realistic end-to-end simulated RO events, finding typical RIEs at the 0.1 to 0.5 µrad noise level, but were left with 26 exceptional events with anomalous RIEs at the 1 to 10 µrad level that remained unexplained. In this study, we focused on investigating the causes of the high RIE of these exceptional events, employing detailed along-ray-path analyses of atmospheric and ionospheric refractivities, impact parameter changes, and bending angles and RIEs under asymmetric and symmetric ionospheric structures. We found that the main causes of the high RIEs are a combination of physics-based effects - where asymmetric ionospheric conditions play the primary role, more than the ionization level driven by solar activity - and technical ray tracer effects due to occasions of imperfect smoothness in ionospheric refractivity model derivatives. We also found that along-ray impact parameter variations of more than 10 to 20 m are possible due to ionospheric asymmetries and, depending on prevailing horizontal refractivity gradients, are positive or negative relative to the initial impact parameter at the GNSS transmitter. Furthermore, mesospheric RIEs are found generally higher than upper-stratospheric ones, likely due to

  1. 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.)

  2. Investigation of the structural preference and flexibility of the loop residues in amyloid fibrils of the HET-s prion.

    Science.gov (United States)

    Dolenc, Jožica; Meier, Beat H; Rusu, Victor H; van Gunsteren, Wilfred F

    2016-02-17

    The structural variability of a 16-residue loop (residues 246-261) which is in part disordered and connects two layers of the β-solenoid formed by the prion-form of HET-s and its prion domain HET-s(218-289) is investigated using molecular dynamics computer simulation. A system of three HET-s(218-289) molecules in a β-sheet structure as in the fibril is simulated in aqueous solution. The trajectory structures appear to be consistent with the Cα chemical shift data obtained. In order to delineate the influence of the β-sheet core of the fibril upon the structural variability of the loop, the latter is also simulated without the β-sheet core, but with its N- and C-terminal residues restrained at their positions in the fibril. The analysis of the trajectories shows that the structural variability of the loop is restricted by the β-sheet core, least at its N-terminal end and most in the middle of the trimer.

  3. Simultaneous determination of aquifer parameters and zone structures with fuzzy c-means clustering and meta-heuristic harmony search algorithm

    Science.gov (United States)

    Ayvaz, M. Tamer

    2007-11-01

    This study proposes an inverse solution algorithm through which both the aquifer parameters and the zone structure of these parameters can be determined based on a given set of observations on piezometric heads. In the zone structure identification problem fuzzy c-means ( FCM) clustering method is used. The association of the zone structure with the transmissivity distribution is accomplished through an optimization model. The meta-heuristic harmony search ( HS) algorithm, which is conceptualized using the musical process of searching for a perfect state of harmony, is used as an optimization technique. The optimum parameter zone structure is identified based on three criteria which are the residual error, parameter uncertainty, and structure discrimination. A numerical example given in the literature is solved to demonstrate the performance of the proposed algorithm. Also, a sensitivity analysis is performed to test the performance of the HS algorithm for different sets of solution parameters. Results indicate that the proposed solution algorithm is an effective way in the simultaneous identification of aquifer parameters and their corresponding zone structures.

  4. 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)

  5. 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)

  6. Residual life and strength estimates of aircraft structural components with MSD/MED

    Science.gov (United States)

    Singh, Ripudaman; Park, Jai H.; Atluri, Satya N.

    1994-01-01

    Economic and safe operation of the flight vehicles flying beyond their initial design life calls for an in-depth structural integrity evaluation of all components with potential for catastrophic damages. Fuselage panels with cracked skin and/or stiffening elements is one such example. A three level analytical approach is developed to analyze the pressurized fuselage stiffened shell panels with damaged skin or stiffening elements. A global finite element analysis is first carried out to obtain the load flow pattern through the damaged panel. As an intermediate step, the damaged zone is treated as a spatially three-dimensional structure modeled by plate and shell finite elements, with all the neighboring elements that can alter the stress state at the crack tip. This is followed by the Schwartz-Neumann alternating method for local analysis to obtain the relevant crack tip parameters that govern the onset of fracture and the crack growth. The methodology developed is generic in nature and aims at handling a large fraction of problem areas identified by the Industry Committee on Wide-Spread Fatigue Damage.

  7. The effect of filler metal thickness on residual stress and creep for stainless-steel plate-fin structure

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Wenchun [School of Mechanical and Power Engineering, Nanjing University of Technology, Nanjing 210009 (China)], E-mail: jiangwenchun@126.com; Gong Jianming; Chen Hu; Tu, S.T. [School of Mechanical and Power Engineering, Nanjing University of Technology, Nanjing 210009 (China)

    2008-08-15

    Stainless-steel plate-fin heat exchanger (PFHE) has been used as a high-temperature recuperator in microturbine for its excellent qualities in compact structure, high-temperature and pressure resistance. Plate-fin structure, as the core of PFHE, is fabricated by vacuum brazing. The main component fins and the parting sheets are joined by fusion of a brazing alloy cladded to the surface of parting sheets. Owing to the material mismatching between the filler metal and the base metal, residual stresses can arise and decrease the structure strength greatly. The recuperator serves at high temperature and the creep would happen. The thickness of the filler metal plays an important role in the joint strength. Hence this paper presented a finite element (FE) analysis of the brazed residual stresses and creep for a counterflow stainless-steel plate-fin structure. The effect of the filler metal thickness on residual stress and creep was investigated, which provides a reference for strength design.

  8. Evaluating two-dimensional skeletal structure parameters using radiological bone morphometric analysis

    International Nuclear Information System (INIS)

    Asa, Kensuke; Sakurai, Takashi; Kashima, Isamu; Kumasaka, Satsuki

    2005-01-01

    The objectives of this study was to investigate the reliability of two-dimensional (2D) skeletal structure parameters obtained using radiological bone morphometric analysis. The 2D skeletal parameters in the regions of interest (ROIs) were measured on computed radiography (CR) images of first phalanges from racehorses, using radiological bone morphometric analysis. Cancellous bone blocks were made from the phalanges in the same position as the ROI determined on CR images. Three-dimensional (3D) trabecular parameters were measured using micro-computed tomography (μCT). The correlations between the 2D skeletal parameters and 3D trabecular parameters were evaluated in relation to the measured bone strength. The following 2D skeletal structure parameters were correlated with bone strength (r=0.61-0.69): skeletal perimeter (Sk.Pm), skeletal number (Sk.N), skeletal separation (Sk.Sp), skeletal spacing (Sk.Spac), fractal dimension (FD), and skeletal pattern factor (SkPf). The 3D trabecular structure parameters were closely correlated with bone strength (r=0.74-0.86). The 2D skeletal parameters Sk.N, Sk.Pm, FD, SkPf, and Sk.Spac were correlated with the 3D trabecular parameters (r=0.61-0.70). The 2D skeletal parameters obtained using radiological bone morphometric analysis may be useful indicators of trabecular strength. (author)

  9. Application of secondary and residual stresses to the assessment of the structural integrity of nuclear power-generating plant

    International Nuclear Information System (INIS)

    Banahan, B.D.

    2008-01-01

    the perceived structural integrity. Finally, the future requirements for the residual stresses to be incorporated into structural integrity assessments of ferritic steel nuclear power plant components and structures will be discussed. This will be by reference to various weldment geometries and heat treatment cycles including repair welds and fillet attachment welds. In particular, there is a need for improved measurement techniques and analytical/computer models to provide more realistic three-dimensional stress distributions for a range of weldment geometries. In addition, there is a need to revisit the criteria adopted to establish the initiation fracture toughness of ductile ferritic steels with respect to the attendant redistribution of residual stresses

  10. RESIDUAL STRESS MEASUREMENTS AND STRUCTURAL INTEGRITY IMPLICATIONS FOR SELECTIVE LASER MELTED TI-6AL-4V

    Directory of Open Access Journals (Sweden)

    Knowles, C. R.

    2012-11-01

    Full Text Available Selective laser melting (SLM of Ti-6Al-4V has significant potential in the aerospace and biotechnology industries. SLM employs a focused laser beam to melt successive layers of metallic powder into complex components. This process can result in the generation of high thermally-induced residual stresses. These residual stresses, together with micro-flaws/ pores from the inherent fabrication process, may lead to premature fatigue crack initiation and propagation at relatively low cyclic stresses. The hole-drilling strain gauge method was used to evaluate residual stresses within SLM Ti-6Al-4V specimens, with the intention of understanding the associated mechanisms for the successful application of SLM Ti-6Al-4V in industry.

  11. Impact damage and residual strength analysis of composite panels with bonded stiffeners. [for primary aircraft structures

    Science.gov (United States)

    Madan, Ram C.; Shuart, Mark J.

    1990-01-01

    Blade-stiffened, compression-loaded cover panels were designed, manufactured, analyzed, and tested. All panels were fabricated from IM6/1808I interleafed graphite-epoxy. An orthotropic blade stiffener and an orthotropic skin were selected to satisfy the design requirements for an advanced aircraft configuration. All specimens were impact damaged prior to testing. Experimental results were obtained for three- and five-stiffener panels. Analytical results described interlaminar forces caused by impact and predicted specimen residual strength. The analytical results compared reasonably with the experimental results for residual strength of the specimens.

  12. Analysis of core-periphery organization in protein contact networks reveals groups of structurally and functionally critical residues.

    Science.gov (United States)

    Isaac, Arnold Emerson; Sinha, Sitabhra

    2015-10-01

    The representation of proteins as networks of interacting amino acids, referred to as protein contact networks (PCN), and their subsequent analyses using graph theoretic tools, can provide novel insights into the key functional roles of specific groups of residues. We have characterized the networks corresponding to the native states of 66 proteins (belonging to different families) in terms of their core-periphery organization. The resulting hierarchical classification of the amino acid constituents of a protein arranges the residues into successive layers - having higher core order - with increasing connection density, ranging from a sparsely linked periphery to a densely intra-connected core (distinct from the earlier concept of protein core defined in terms of the three-dimensional geometry of the native state, which has least solvent accessibility). Our results show that residues in the inner cores are more conserved than those at the periphery. Underlining the functional importance of the network core, we see that the receptor sites for known ligand molecules of most proteins occur in the innermost core. Furthermore, the association of residues with structural pockets and cavities in binding or active sites increases with the core order. From mutation sensitivity analysis, we show that the probability of deleterious or intolerant mutations also increases with the core order. We also show that stabilization centre residues are in the innermost cores, suggesting that the network core is critically important in maintaining the structural stability of the protein. A publicly available Web resource for performing core-periphery analysis of any protein whose native state is known has been made available by us at http://www.imsc.res.in/ ~sitabhra/proteinKcore/index.html.

  13. Influence of electrospinning parameters on the structural morphology and diameter of electrospun nanofibers

    CSIR Research Space (South Africa)

    Jacobs, V

    2009-11-01

    Full Text Available Electrospinning is a simple method of producing nanofibers by introducing electric field into the polymer solutions. We report an experimental investigation on the influence of processing parameters and solution properties on the structural...

  14. A new unbiased stochastic derivative estimator for discontinuous sample performances with structural parameters

    NARCIS (Netherlands)

    Peng, Yijie; Fu, Michael C.; Hu, Jian Qiang; Heidergott, Bernd

    In this paper, we propose a new unbiased stochastic derivative estimator in a framework that can handle discontinuous sample performances with structural parameters. This work extends the three most popular unbiased stochastic derivative estimators: (1) infinitesimal perturbation analysis (IPA), (2)

  15. Bias-Corrected Estimation of Noncentrality Parameters of Covariance Structure Models

    Science.gov (United States)

    Raykov, Tenko

    2005-01-01

    A bias-corrected estimator of noncentrality parameters of covariance structure models is discussed. The approach represents an application of the bootstrap methodology for purposes of bias correction, and utilizes the relation between average of resample conventional noncentrality parameter estimates and their sample counterpart. The…

  16. Effects of structural error on the estimates of parameters of dynamical systems

    Science.gov (United States)

    Hadaegh, F. Y.; Bekey, G. A.

    1986-01-01

    In this paper, the notion of 'near-equivalence in probability' is introduced for identifying a system in the presence of several error sources. Following some basic definitions, necessary and sufficient conditions for the identifiability of parameters are given. The effects of structural error on the parameter estimates for both the deterministic and stochastic cases are considered.

  17. Standard Errors of Estimated Latent Variable Scores with Estimated Structural Parameters

    Science.gov (United States)

    Hoshino, Takahiro; Shigemasu, Kazuo

    2008-01-01

    The authors propose a concise formula to evaluate the standard error of the estimated latent variable score when the true values of the structural parameters are not known and must be estimated. The formula can be applied to factor scores in factor analysis or ability parameters in item response theory, without bootstrap or Markov chain Monte…

  18. Pivotal statistics for testing subsets of structural parameters in the IV Regression Model

    NARCIS (Netherlands)

    Kleibergen, F.R.

    2000-01-01

    We construct a novel statistic to test hypothezes on subsets of the structural parameters in anInstrumental Variables (IV) regression model. We derive the chi squared limiting distribution of thestatistic and show that it has a degrees of freedom parameter that is equal to the number ofstructural

  19. Identification of coevolving residues and coevolution potentials emphasizing structure, bond formation and catalytic coordination in protein evolution.

    Directory of Open Access Journals (Sweden)

    Daniel Y Little

    Full Text Available The structure and function of a protein is dependent on coordinated interactions between its residues. The selective pressures associated with a mutation at one site should therefore depend on the amino acid identity of interacting sites. Mutual information has previously been applied to multiple sequence alignments as a means of detecting coevolutionary interactions. Here, we introduce a refinement of the mutual information method that: 1 removes a significant, non-coevolutionary bias and 2 accounts for heteroscedasticity. Using a large, non-overlapping database of protein alignments, we demonstrate that predicted coevolving residue-pairs tend to lie in close physical proximity. We introduce coevolution potentials as a novel measure of the propensity for the 20 amino acids to pair amongst predicted coevolutionary interactions. Ionic, hydrogen, and disulfide bond-forming pairs exhibited the highest potentials. Finally, we demonstrate that pairs of catalytic residues have a significantly increased likelihood to be identified as coevolving. These correlations to distinct protein features verify the accuracy of our algorithm and are consistent with a model of coevolution in which selective pressures towards preserving residue interactions act to shape the mutational landscape of a protein by restricting the set of admissible neutral mutations.

  20. Nanometer-scale structure of alkali-soluble bio-macromolecules of maize plant residues explains their recalcitrance in soil.

    Science.gov (United States)

    Adani, Fabrizio; Salati, Silvia; Spagnol, Manuela; Tambone, Fulvia; Genevini, Pierluigi; Pilu, Roberto; Nierop, Klaas G J

    2009-07-01

    The quantity and quality of plant litter in the soil play an important role in the soil organic matter balance. Besides other pedo-climatic aspects, the content of recalcitrant molecules of plant residues and their chemical composition play a major role in the preservation of plant residues. In this study, we report that intrinsically resistant alkali-soluble bio-macromolecules extracted from maize plant (plant-humic acid) (plant-HA) contribute directly to the soil organic matter (OM) by its addition and conservation in the soil. Furthermore, we also observed that a high syringyl/guaiacyl (S/G) ratio in the lignin residues comprising the plant tissue, which modifies the microscopic structure of the alkali-soluble plant biopolymers, enhances their recalcitrance because of lower accessibility of molecules to degrading enzymes. These results are in agreement with a recent study, which showed that the humic substance of soil consists of a mixture of identifiable biopolymers obtained directly from plant tissues that are added annually by maize plant residues.

  1. 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.

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

    Directory of Open Access Journals (Sweden)

    Tian Liu

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

  3. Specification of indoor climate design parameters at the assessment of moisture protective properties of enclosing structures

    Directory of Open Access Journals (Sweden)

    Kornienko Sergey Valer’evich

    2016-11-01

    Full Text Available Due to wide implementation of enveloping structures with increased heat-insulation properties in modern construction here appeared a necessity to assess their moisture conditions. Assessment of moisture conditions of enveloping structures is carried out according to maximum allowable moisture state basing on determining the surface of maximum damping. In relation to it the necessity of additional vapour barrier is checked using moisture balance equation. Though the change of indoor climate parameters in premises is not taken into account in moisture balance equations defined for different seasons. The author improves the method of calculating moisture protective parameters of enclosing structures according to the maximum allowable damping state for a year and a period of moisture accumulation. It is shown in this article that accounting of temperature and relative humidity change of inside air allows specifying calculated parameters of indoor climate in residential and office rooms in assessment of moisture protective properties of enclosing structures for the case of an effective enclosing structure with a façade heat-insulation composite system. Coordinates of the maximum moistened surface of the envelope depends on indoor climate design parameters. It is concluded that the increase of requirements for moisture protection of enclosing structures when using design values of temperature and relative humidity of internal air according to the Russian regulation (SP 50.13330.2012 is not always reasonable. Accounting of changes of indoor climate parameters allows more precise assessment of moisture protective properties of enclosing structures during their design.

  4. Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing.

    Science.gov (United States)

    Feng, Yingang

    2017-01-01

    The use of NMR methods to determine the three-dimensional structures of carbohydrates and glycoproteins is still challenging, in part because of the lack of standard protocols. In order to increase the convenience of structure determination, the topology and parameter files for carbohydrates in the program Crystallography & NMR System (CNS) were investigated and new files were developed to be compatible with the standard simulated annealing protocols for proteins and nucleic acids. Recalculating the published structures of protein-carbohydrate complexes and glycosylated proteins demonstrates that the results are comparable to the published structures which employed more complex procedures for structure calculation. Integrating the new carbohydrate parameters into the standard structure calculation protocol will facilitate three-dimensional structural study of carbohydrates and glycosylated proteins by NMR spectroscopy.

  5. 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.

  6. Repetitive Identification of Structural Systems Using a Nonlinear Model Parameter Refinement Approach

    Directory of Open Access Journals (Sweden)

    Jeng-Wen Lin

    2009-01-01

    Full Text Available This paper proposes a statistical confidence interval based nonlinear model parameter refinement approach for the health monitoring of structural systems subjected to seismic excitations. The developed model refinement approach uses the 95% confidence interval of the estimated structural parameters to determine their statistical significance in a least-squares regression setting. When the parameters' confidence interval covers the zero value, it is statistically sustainable to truncate such parameters. The remaining parameters will repetitively undergo such parameter sifting process for model refinement until all the parameters' statistical significance cannot be further improved. This newly developed model refinement approach is implemented for the series models of multivariable polynomial expansions: the linear, the Taylor series, and the power series model, leading to a more accurate identification as well as a more controllable design for system vibration control. Because the statistical regression based model refinement approach is intrinsically used to process a “batch” of data and obtain an ensemble average estimation such as the structural stiffness, the Kalman filter and one of its extended versions is introduced to the refined power series model for structural health monitoring.

  7. Structure of the protein which gives the mitochondrial ATPase its sensitivity to oligomycin (OSCP). Approach of OSCP structural parameters by neutron scattering and spectroscopic techniques

    International Nuclear Information System (INIS)

    Dupuis, Alain

    1983-01-01

    This research thesis reports the study of OSCP structure of beef heart mitochondria. The OSCP is a lysine-rich protein which contains five tyrosine residues exposed to a solvent and no tryptophan residue. The molecular mass is determined by gel electrophoresis. Small angle neutron scattering is used to show that OSCP is an elongated protein. The distribution of residues of amino acids in the protein, and the preferential localisation of lysine residues in equatorial regions of the molecules are noticed by using neutron scattering by OSCP in solution in D 2 O. A preliminary functional study determined the stoichiometry and the dissociation constants with which OSCP interacts with mitochondrial ATPase [fr

  8. Evaluation of design parameters in soil-structure systems through artificial intelligence

    International Nuclear Information System (INIS)

    Cremonini, M.G.; Vardanega, C.; Parvis, E.

    1989-01-01

    This study refers to development of an artificial intelligence tool to evaluate design parameters for a soil-structure system as the foundations of Class 1 buildings of a nuclear power plant (NPP). This is based on an expert analysis of a large amount of information, collected during a comprehensive program of site investigations and laboratory tests and stored on a computer data-bank. The methodology comprises the following steps: organization of the available information on the site characteristics in a data-base; implementation and extensive use of a specific knowledge based expert system (KBES) devoted to both the analysis, interpretation and check of the information in the data-base, and to the evaluation of the design parameters; determination of effective access criteria to the data-base, for purposes of reordering the information and extracting design properties from a large number of experimental data; development of design profiles for both index properties and strength/strain parameters; and final evaluation of the design parameters. Results are obtained in the form of: local and general site stratigraphy; summarized soil index properties, detailing the site setting; static and dynamic stress-strain parameters, G/G max behavior and damping factors; condolidation parameters and OCR ratio; spatial distribution of parameters on site area; identification of specific local conditions; and cross correlation of parameters, thus covering the whole range of design parameters for NPP soil-structure systems

  9. Study of structure and residual stresses in cold rotary swaged tungsten heavy alloy

    Czech Academy of Sciences Publication Activity Database

    Kunčická, L.; Kocich, R.; Hervoches, Charles; Macháčková, A.

    2017-01-01

    Roč. 705, č. 9 (2017), s. 25-31 ISSN 0921-5093 R&D Projects: GA MŠk LM2015056 Institutional support: RVO:61389005 Keywords : Tungsten heavy alloy * residual stresses * neutron scattering * electron microscopy * work hardening Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.094, year: 2016

  10. On how to avoid input and structural uncertainties corrupt the inference of hydrological parameters using a Bayesian framework

    Science.gov (United States)

    Hernández, Mario R.; Francés, Félix

    2015-04-01

    One phase of the hydrological models implementation process, significantly contributing to the hydrological predictions uncertainty, is the calibration phase in which values of the unknown model parameters are tuned by optimizing an objective function. An unsuitable error model (e.g. Standard Least Squares or SLS) introduces noise into the estimation of the parameters. The main sources of this noise are the input errors and the hydrological model structural deficiencies. Thus, the biased calibrated parameters cause the divergence model phenomenon, where the errors variance of the (spatially and temporally) forecasted flows far exceeds the errors variance in the fitting period, and provoke the loss of part or all of the physical meaning of the modeled processes. In other words, yielding a calibrated hydrological model which works well, but not for the right reasons. Besides, an unsuitable error model yields a non-reliable predictive uncertainty assessment. Hence, with the aim of prevent all these undesirable effects, this research focuses on the Bayesian joint inference (BJI) of both the hydrological and error model parameters, considering a general additive (GA) error model that allows for correlation, non-stationarity (in variance and bias) and non-normality of model residuals. As hydrological model, it has been used a conceptual distributed model called TETIS, with a particular split structure of the effective model parameters. Bayesian inference has been performed with the aid of a Markov Chain Monte Carlo (MCMC) algorithm called Dream-ZS. MCMC algorithm quantifies the uncertainty of the hydrological and error model parameters by getting the joint posterior probability distribution, conditioned on the observed flows. The BJI methodology is a very powerful and reliable tool, but it must be used correctly this is, if non-stationarity in errors variance and bias is modeled, the Total Laws must be taken into account. The results of this research show that the

  11. Direct methods and residue type specific isotope labeling in NMR structure determination and model-driven sequential assignment

    International Nuclear Information System (INIS)

    Schedlbauer, Andreas; Auer, Renate; Ledolter, Karin; Tollinger, Martin; Kloiber, Karin; Lichtenecker, Roman; Ruedisser, Simon; Hommel, Ulrich; Schmid, Walther; Konrat, Robert; Kontaxis, Georg

    2008-01-01

    Direct methods in NMR based structure determination start from an unassigned ensemble of unconnected gaseous hydrogen atoms. Under favorable conditions they can produce low resolution structures of proteins. Usually a prohibitively large number of NOEs is required, to solve a protein structure ab-initio, but even with a much smaller set of distance restraints low resolution models can be obtained which resemble a protein fold. One problem is that at such low resolution and in the absence of a force field it is impossible to distinguish the correct protein fold from its mirror image. In a hybrid approach these ambiguous models have the potential to aid in the process of sequential backbone chemical shift assignment when 13 C β and 13 C' shifts are not available for sensitivity reasons. Regardless of the overall fold they enhance the information content of the NOE spectra. These, combined with residue specific labeling and minimal triple-resonance data using 13 C α connectivity can provide almost complete sequential assignment. Strategies for residue type specific labeling with customized isotope labeling patterns are of great advantage in this context. Furthermore, this approach is to some extent error-tolerant with respect to data incompleteness, limited precision of the peak picking, and structural errors caused by misassignment of NOEs

  12. Consensus conference on core radiological parameters to describe lumbar stenosis - an initiative for structured reporting

    Energy Technology Data Exchange (ETDEWEB)

    Andreisek, Gustav; Winklhofer, Sebastian F.X. [University Hospital Zurich, Department of Radiology, Zurich (Switzerland); Deyo, Richard A. [Oregon Health and Science University, Portland, OR (United States); Jarvik, Jeffrey G. [University of Washington, Seattle, WA (United States); Porchet, Francois [Schulthess Klinik, Zuerich (Switzerland); Steurer, Johann [University Hospital Zurich, Horten Center for patient oriented research and knowledge transfer, Zurich (Switzerland); Collaboration: On behalf of the LSOS working group

    2014-12-15

    To define radiological criteria and parameters as a minimum standard in a structured radiological report for patients with lumbar spinal stenosis (LSS) and to identify criteria and parameters for research purposes. All available radiological criteria and parameters for LSS were identified using systematic literature reviews and a Delphi survey. We invited to the consensus meeting, and provided data, to 15 internationally renowned experts from different countries. During the meeting, these experts reached consensus in a structured and systematic discussion about a core list of radiological criteria and parameters for standard reporting. We identified a total of 27 radiological criteria and parameters for LSS. During the meeting, the experts identified five of these as core items for a structured report. For central stenosis, these were ''compromise of the central zone'' and ''relation between fluid and cauda equina''. For lateral stenosis, the group agreed that ''nerve root compression in the lateral recess'' was a core item. For foraminal stenosis, we included ''nerve root impingement'' and ''compromise of the foraminal zone''. As a minimum standard, five radiological criteria should be used in a structured radiological report in LSS. Other parameters are well suited for research. (orig.)

  13. Effect of synthesis parameters on polymethacrylic acid xerogel structures and equilibrium swelling

    Science.gov (United States)

    Panić, V.; Jovanović, J.; Adnadjević, B.; Velicković, S.

    2009-09-01

    Hydrogels based on crosslinked polymethacrylic acid were synthesized via free-radical polymerization in aqueous solution, using N,N'-methylene bisacrylamide as a crosslinking agent and 2,2'-azobis-[2-(2-imidazolin-2-yl)propane] dihydrochloride as an initiator. The influence of the reaction parameters (the neutralization degree of methacrylic acid and the initial monomer concentration) on the equilibrium swelling degree, the swelling kinetic parameters and the basic structural properties of xerogels was investigated. The change of synthesis parameters leads to the change of the basic structural parameters of xerogel, as well as the equilibrium swelling degree and the initial swelling rate of the hydrogels. It is found that there are power form relationships between the equilibrium swelling degree, the initial swelling rate and the structural xerogel’s properties and the change of the neutralization degree of monomer, i.e. the monomer concentration. The examined correlations proved that the crosslinking density is the crucial parameter which determines all the other investigated structural and swelling parameters.

  14. Solution NMR structure and inhibitory effect against amyloid-β fibrillation of Humanin containing a D-isomerized serine residue

    Energy Technology Data Exchange (ETDEWEB)

    Alsanousi, Nesreen [Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871 (Japan); Sugiki, Toshihiko, E-mail: sugiki@protein.osaka-u.ac.jp [Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871 (Japan); Furuita, Kyoko; So, Masatomo; Lee, Young-Ho; Fujiwara, Toshimichi [Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871 (Japan); Kojima, Chojiro, E-mail: kojima-chojiro-xk@ynu.ac.jp [Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871 (Japan); Graduate School of Engineering, Yokohama National University, Tokiwadai 79-5, Hodogaya-ku, Yokohama 240-8501 (Japan)

    2016-09-02

    Humanin comprising 24 amino acid residues is a bioactive peptide that has been isolated from the brain tissue of patients with Alzheimer's disease. Humanin reportedly suppressed aging-related death of various cells due to amyloid fibrils and oxidative stress. There are reports that the cytoprotective activity of Humanin was remarkably enhanced by optical isomerization of the Ser14 residue from L to D form, but details of the molecular mechanism remained unclear. Here we demonstrated that Humanin D-Ser14 exhibited potent inhibitory activity against fibrillation of amyloid-β and remarkably higher binding affinity for amyloid-β than that of the Humanin wild-type and S14G mutant. In addition, we determined the solution structure of Humanin D-Ser14 by nuclear magnetic resonance (NMR) and showed that D-isomerization of the Ser14 residue enables drastic conformational rearrangement of Humanin. Furthermore, we identified an amyloid-β-binding site on Humanin D-Ser14 at atomic resolution by NMR. These biophysical and high-resolution structural analyses clearly revealed structure–function relationships of Humanin and explained the driving force of the drastic conformational change and molecular basis of the potent anti-amyloid-β fibrillation activity of Humanin caused by D-isomerization of the Ser14 residue. This is the first study to show correlations between the functional activity, tertiary structure, and partner recognition mode of Humanin and may lead to elucidation of the molecular mechanisms of the cytoprotective activity of Humanin. - Highlights: • Humanin D-Ser14 showed the strongest inhibitory activity against Aβ40 fibrillation. • NMR structure of Humanin D-Ser14 was determined in alcohol/water mixture solution. • Humanin D-Ser14 directly bound Aβ40 stronger than Humanin wild-type and Humanin S14G. • Aβ40 and zinc ion binding sites of Humanin D-Ser14 were identified. • Structure around Ser14 of Humanin is critical for Aβ40 binding and

  15. Effect of structural relaxation of metallic glasses on positron annihilation parameters

    International Nuclear Information System (INIS)

    Tian Decheng; Xiong Liangyue; Tang Zhongxun; Xu Yinhua

    1987-07-01

    The results of a comparative study of positron lifetime and a Doppler broadening line-shape parameter for two metallic glasses are presented. The change of lifetime τ-bar and the S-parameter for these two metallic glasses are shown to have a common feature, i.e. at the initial stage of structural relaxation, τ-bar presents a peak-form as a function of annealing time or temperature while the S-parameter decreases monotonically. A possible mechanism is proposed for explaining the peak-form of τ-bar which has been observed in many metallic glasses; the initial rise and the following decrease of τ-bar are attributed to the homogenization of defects taking place during the structural relaxation. The monotonic behaviour of the S-parameter seems to indicate that the annihilation of positrons in free state with the high momentum core electrons is negligible. (author). 8 refs, 2 figs

  16. The impacts of source structure on geodetic parameters demonstrated by the radio source 3C371

    Science.gov (United States)

    Xu, Ming H.; Heinkelmann, Robert; Anderson, James M.; Mora-Diaz, Julian; Karbon, Maria; Schuh, Harald; Wang, Guang L.

    2017-07-01

    Closure quantities measured by very-long-baseline interferometry (VLBI) observations are independent of instrumental and propagation instabilities and antenna gain factors, but are sensitive to source structure. A new method is proposed to calculate a structure index based on the median values of closure quantities rather than the brightness distribution of a source. The results are comparable to structure indices based on imaging observations at other epochs and demonstrate the flexibility of deriving structure indices from exactly the same observations as used for geodetic analysis and without imaging analysis. A three-component model for the structure of source 3C371 is developed by model-fitting closure phases. It provides a real case of tracing how the structure effect identified by closure phases in the same observations as the delay observables affects the geodetic analysis, and investigating which geodetic parameters are corrupted to what extent by the structure effect. Using the resulting structure correction based on the three-component model of source 3C371, two solutions, with and without correcting the structure effect, are made. With corrections, the overall rms of this source is reduced by 1 ps, and the impacts of the structure effect introduced by this single source are up to 1.4 mm on station positions and up to 4.4 microarcseconds on Earth orientation parameters. This study is considered as a starting point for handling the source structure effect on geodetic VLBI from geodetic sessions themselves.

  17. Model structural uncertainty quantification and hydrologic parameter and prediction error analysis using airborne electromagnetic data

    DEFF Research Database (Denmark)

    Minsley, B. J.; Christensen, Nikolaj Kruse; Christensen, Steen

    Model structure, or the spatial arrangement of subsurface lithological units, is fundamental to the hydrological behavior of Earth systems. Knowledge of geological model structure is critically important in order to make informed hydrological predictions and management decisions. Model structure...... is never perfectly known, however, and incorrect assumptions can be a significant source of error when making model predictions. We describe a systematic approach for quantifying model structural uncertainty that is based on the integration of sparse borehole observations and large-scale airborne...... electromagnetic (AEM) data. Our estimates of model structural uncertainty follow a Bayesian framework that accounts for both the uncertainties in geophysical parameter estimates given AEM data, and the uncertainties in the relationship between lithology and geophysical parameters. Using geostatistical sequential...

  18. IDENTIFICATION OF MODAL PARAMETERS OF VIBRATING STRUCTURES WITH UNKNOWN ORSTOCHASTIC EXCITATION

    OpenAIRE

    Amaro Baldeón, Roberto; Gardel Kurka, Paulo

    2014-01-01

    The Vector Autoregressive Moving Average (VARMA) Model is used to identify dynamical characteristics of a structural system in the presence of noise. In order to estimate the parameters of the VARMA Model, the Spliid’s fast algorithm is used. To determine the modal parameters the companion matrix is built with the autoregressive part of the VARMA Model. The performance of this method here discussed is presented by means of simulations, using three degrees of freedom mass-dampingstiffness vibr...

  19. Coupling of order parameters, chirality, and interfacial structures in multiferroic materials.

    Science.gov (United States)

    Conti, Sergio; Müller, Stefan; Poliakovsky, Arkady; Salje, Ekhard K H

    2011-04-13

    We study optimal interfacial structures in multiferroic materials with a biquadratic coupling between two order parameters. We discover a new duality relation between the strong coupling and the weak coupling regime for the case of isotropic gradient terms. We analyze the phase diagram depending on the coupling constant and anisotropy of the gradient term, and show that in a certain regime the secondary order parameter becomes activated only in the interfacial region.

  20. Analysis of Parameters Assessment on Laminated Rubber-Metal Spring for Structural Vibration

    International Nuclear Information System (INIS)

    Salim, M.A.; Putra, A.; Mansor, M.R.; Musthafah, M.T.; Akop, M.Z.; Abdullah, M.A.

    2016-01-01

    This paper presents the analysis of parameter assessment on laminated rubber-metal spring (LR-MS) for vibrating structure. Three parameters were selected for the assessment which are mass, Young's modulus and radius. Natural rubber materials has been used to develop the LR-MS model. Three analyses were later conducted based on the selected parameters to the LR-MS performance which are natural frequency, location of the internal resonance frequency and transmissibility of internal resonance. Results of the analysis performed were plotted in frequency domain function graph. Transmissibility of laminated rubber-metal spring (LR-MS) is changed by changing the value of the parameter. This occurrence was referred to the theory from open literature then final conclusion has been make which are these parameters have a potential to give an effects and trends for LR-MS transmissibility. (paper)

  1. 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.

  2. Influence of Weaving Loom Setting Parameters on Changes of Woven Fabric Structure and Mechanical Properties

    Directory of Open Access Journals (Sweden)

    Aušra ADOMAITIENĖ

    2011-11-01

    Full Text Available During the manufacturing of fabric of different raw material there was noticed, that after removing the fabric from weaving loom and after stabilization of fabric structure, the changes of parameters of fabric structure are not regular. During this investigation it was analysed, how weaving loom technological parameters (heald cross moment and initial tension of warp should be chosen and how to predict the changes of fabric structure parameters and its mechanical properties. The dependencies of changes of half-wool fabric structure parameters (weft setting, fabric thickness and projections of fabric cross-section and mechanical properties (breaking force, elongation at break, static friction force and static friction coefficient on weaving loom setting parameters (heald cross moment and initial warp tension were analysed. The orthogonal Box plan of two factors was used, the 3-D dependencies were drawn, and empirical equations of these dependencies were established.http://dx.doi.org/10.5755/j01.ms.17.4.780

  3. Variability of Structural and Biomechanical Parameters of Pelophylax Esculentus (Amphibia, Anura Limb Bones

    Directory of Open Access Journals (Sweden)

    Broshko Ye. O.

    2014-07-01

    Full Text Available Variability of Structural and Biomechanical Prameters of Pelophylax esculentus (Amphibia, Anura Limb Bones. Broshko Ye. O. — Structural and biomechanical parameters of Edible Frog, Pelophylax esculentus (Linnaeus, 1758, limb bones, namely, mass, linear dimensions, parameters of the shaft’s cross-sectional shape (cross-sectional area, moments of inertia, radiuses of inertia were investigated. Some coefficients were also estimated: diameters ratio (df/ds, cross-sectional index (ik, principal moments of inertia ratio (Imax/Imin.. Coefficients of variation of linear dimensions (11.9-20.0 % anrelative bone mass (22-35 % were established. Moments of inertia of various bones are more variable (CV = 41.67-56.35 % in relation to radii of inertia (CV = 9.68-14.67 %. Shaft’s cross-sectional shape is invariable in all cases. However, there is high individual variability of structural and biomechanical parameters of P. esculentus limb bones. Variability of parameters was limited by the certain range. We suggest the presence of stable norm in bone structure. Stylopodium bones have the primary biomechanical function among the elements of limb skeleton, because their parameters most clearly responsive to changes in body mass.

  4. Identification of crystalline structures using Moessbauer parameters and artificial neural network

    International Nuclear Information System (INIS)

    Salles, E.O.T.; Souza Junior, P.A. De; Garg, V.K.

    1995-01-01

    Moessbauer spectroscopy is a useful technique for characterizing the valences, electronic and magnetic states, coordination symmetric and site occupancies of Fe cations. The Moessbauer parameters of Isomer Shift (I.S.) and Quadrupole Splitting (Q.S.) are useful to distinguish paramagnetic ferrous and ferric ions in several substances, while the internal magnetic field provides information on the crystallinity. A correlation is being sought between Moessbauer parameters and several structure properties of some iron-containing minerals using Artificial Neural Networks (ANN). Distinct regions of crystalline structures are defined when any two parameters are plotted, but in several cases superposition of these regions leads to erroneous conclusions. We have tried to eliminate this difficulty by using convenient axes. These axes form n-dimensional vectors as input to our ANN. In recent years ANN has shown to be a powerful technique to solve problems as pattern recognition, optimization, preview ups and downs in stock market, automatic control and identification of a mineral from a Moessbauer spectrum of Moessbauer data bank. Using ANN we have been successful in identification of crystalline structures from plots of Moessbauer spectral parameters of I.S., Q.S., and structure using Moessbauer parameters of I.S., Q.S., and polyhedral volume of a coordination site are presented. (author) 28 refs.; 4 figs.; 2 tabs

  5. A coherent structure approach for parameter estimation in Lagrangian Data Assimilation

    Science.gov (United States)

    Maclean, John; Santitissadeekorn, Naratip; Jones, Christopher K. R. T.

    2017-12-01

    We introduce a data assimilation method to estimate model parameters with observations of passive tracers by directly assimilating Lagrangian Coherent Structures. Our approach differs from the usual Lagrangian Data Assimilation approach, where parameters are estimated based on tracer trajectories. We employ the Approximate Bayesian Computation (ABC) framework to avoid computing the likelihood function of the coherent structure, which is usually unavailable. We solve the ABC by a Sequential Monte Carlo (SMC) method, and use Principal Component Analysis (PCA) to identify the coherent patterns from tracer trajectory data. Our new method shows remarkably improved results compared to the bootstrap particle filter when the physical model exhibits chaotic advection.

  6. Residue Modification and Mass Spectrometry for the Investigation of Structural and Metalation Properties of Metallothionein and Cysteine-Rich Proteins

    Directory of Open Access Journals (Sweden)

    Gordon W. Irvine

    2017-04-01

    Full Text Available Structural information regarding metallothioneins (MTs has been hard to come by due to its highly dynamic nature in the absence of metal-thiolate cluster formation and crystallization difficulties. Thus, typical spectroscopic methods for structural determination are limited in their usefulness when applied to MTs. Mass spectrometric methods have revolutionized our understanding of protein dynamics, structure, and folding. Recently, advances have been made in residue modification mass spectrometry in order to probe the hard-to-characterize structure of apo- and partially metalated MTs. By using different cysteine specific alkylation reagents, time dependent electrospray ionization mass spectrometry (ESI-MS, and step-wise “snapshot” ESI-MS, we are beginning to understand the dynamics of the conformers of apo-MT and related species. In this review we highlight recent papers that use these and similar techniques for structure elucidation and attempt to explain in a concise manner the data interpretations of these complex methods. We expect increasing resolution in our picture of the structural conformations of metal-free MTs as these techniques are more widely adopted and combined with other promising tools for structural elucidation.

  7. Predicting DNA-binding proteins and binding residues by complex structure prediction and application to human proteome.

    Directory of Open Access Journals (Sweden)

    Huiying Zhao

    Full Text Available As more and more protein sequences are uncovered from increasingly inexpensive sequencing techniques, an urgent task is to find their functions. This work presents a highly reliable computational technique for predicting DNA-binding function at the level of protein-DNA complex structures, rather than low-resolution two-state prediction of DNA-binding as most existing techniques do. The method first predicts protein-DNA complex structure by utilizing the template-based structure prediction technique HHblits, followed by binding affinity prediction based on a knowledge-based energy function (Distance-scaled finite ideal-gas reference state for protein-DNA interactions. A leave-one-out cross validation of the method based on 179 DNA-binding and 3797 non-binding protein domains achieves a Matthews correlation coefficient (MCC of 0.77 with high precision (94% and high sensitivity (65%. We further found 51% sensitivity for 82 newly determined structures of DNA-binding proteins and 56% sensitivity for the human proteome. In addition, the method provides a reasonably accurate prediction of DNA-binding residues in proteins based on predicted DNA-binding complex structures. Its application to human proteome leads to more than 300 novel DNA-binding proteins; some of these predicted structures were validated by known structures of homologous proteins in APO forms. The method [SPOT-Seq (DNA] is available as an on-line server at http://sparks-lab.org.

  8. Residual creep life assessment by change of martensitic lath structure in modified 9Cr-1Mo steels

    International Nuclear Information System (INIS)

    Sawada, Kota; Takeda, Masaaki; Maruyama, Kouichi; Komine, Ryuji; Nagae, Yuji

    1998-01-01

    Mod.9Cr-1Mo steel has a martensitic lath structure. Recovery of the lath structure takes place in the course of creep. Microstructural degradation due to the recovery results in the acceleration of creep rate and the subsequent failure of a specimen. Change of lath width during creep of the steel was quantitatively investigated to propose a residual life assessment methodology based on the recovery process. Since the steel was tempered at 1053 K, the lath structure is thermally stable at the testing temperatures (848 K - 923 K). However, recovery of lath structure readily takes place during creep, indicating that the recovery is induced by creep deformation. Lath width d increases with creep strain and saturates to a value d s determined by creep stress. The increase of d is faster at a higher stress and temperature. A normalized change in lath width, Δd/Δd s , was introduced to explain the variation of lath growth rate with creep stress and temperature. Δd is the change in lath width from the initial value d 0 , and Δd s is the difference between d s , and d 0 . Δd/Δd s is uniquely related to creep strain ε and the relationship is independent of creep stress as well as creep temperature. This Δd/Δd s -ε relationship obtained by an accelerated creep test at a higher temperature or stress is applicable to any creep condition including service conditions of engineering plants. Creep strain can be evaluated from the measurement of Δd/Δd s based on the Δd/Δd s -ε relationship. A creep curve under any creep condition can readily be calculated by creep data of the steel. Combining these information one can assess residual life of a structural component made of the steel. (author)

  9. Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing

    OpenAIRE

    Feng, Yingang

    2017-01-01

    The use of NMR methods to determine the three-dimensional structures of carbohydrates and glycoproteins is still challenging, in part because of the lack of standard protocols. In order to increase the convenience of structure determination, the topology and parameter files for carbohydrates in the program Crystallography & NMR System (CNS) were investigated and new files were developed to be compatible with the standard simulated annealing protocols for proteins and nucleic acids. Recalculat...

  10. The influence of common stimulus parameters on distortion product otoacoustic emission fine structure.

    Science.gov (United States)

    Johnson, Tiffany A; Baranowski, Lauren G

    2012-01-01

    To determine whether common approaches to setting stimulus parameters influence the depth of fine structure present in the distortion product otoacoustic emission (DPOAE) response. Because the presence of fine structure has been suggested as a possible source of errors, if one of the common parametric approaches results in reduced fine-structure depth, it may be preferred over other approaches. DPOAE responses were recorded in a group of 21 subjects with normal hearing for 1/3-octave intervals surrounding 3 f2s (1, 2, and 4 kHz) at three L2s (30, 45, and 55 dB SPL). For each f2 and L2 combination, L1 and f2/f1 were set according to three commonly used parametric approaches. These included a simple approach, the approach recommended by Kummer et al., and the approach described by Johnson et al. These three approaches primarily differ in the recommended relationship between L1 and L2. For each parametric approach, DPOAE fine structure was evaluated by varying f2 in small steps. Differences in DPOAE level and DPOAE fine-structure depth across f2, L2, and the various stimulus parameters were evaluated using repeated-measures analysis of variance. As expected, significant variations in DPOAE level were observed across the three parametric approaches. For stimulus levels #45 dB SPL, the simple stimuli resulted in lower DPOAE levels than were observed for other approaches. An unexpected finding was that stimulus parameters developed by Johnson et al., which were believed to produce higher DPOAE levels than other approaches, produced the lowest DPOAE levels of the three approaches when f2 = 4 kHz. Significant differences in fine-structure depth were also observed. Greater fine-structure depth was observed with the simple parameters, although this effect was restricted to L2 # 45 dB SPL. When L2 = 55 dB SPL, all three parametric approaches resulted in equivalent fine-structure depth. A significant difference in fine-structure depth across the 3 f2s was also observed. The

  11. Role of cysteine residues in the structure, stability, and alkane producing activity of cyanobacterial aldehyde deformylating oxygenase.

    Directory of Open Access Journals (Sweden)

    Yuuki Hayashi

    Full Text Available Aldehyde deformylating oxygenase (AD is a key enzyme for alkane biosynthesis in cyanobacteria, and it can be used as a catalyst for alkane production in vitro and in vivo. However, three free Cys residues in AD may impair its catalytic activity by undesired disulfide bond formation and oxidation. To develop Cys-deficient mutants of AD, we examined the roles of the Cys residues in the structure, stability, and alkane producing activity of AD from Nostoc punctiforme PCC 73102 by systematic Cys-to-Ala/Ser mutagenesis. The C71A/S mutations reduced the hydrocarbon producing activity of AD and facilitated the formation of a dimer, indicating that the conserved Cys71, which is located in close proximity to the substrate-binding site, plays crucial roles in maintaining the activity, structure, and stability of AD. On the other hand, mutations at Cys107 and Cys117 did not affect the hydrocarbon producing activity of AD. Therefore, we propose that the C107A/C117A double mutant is preferable to wild type AD for alkane production and that the double mutant may be used as a pseudo-wild type protein for further improvement of the alkane producing activity of AD.

  12. A framework for scalable parameter estimation of gene circuit models using structural information

    KAUST Repository

    Kuwahara, Hiroyuki

    2013-06-21

    Motivation: Systematic and scalable parameter estimation is a key to construct complex gene regulatory models and to ultimately facilitate an integrative systems biology approach to quantitatively understand the molecular mechanisms underpinning gene regulation. Results: Here, we report a novel framework for efficient and scalable parameter estimation that focuses specifically on modeling of gene circuits. Exploiting the structure commonly found in gene circuit models, this framework decomposes a system of coupled rate equations into individual ones and efficiently integrates them separately to reconstruct the mean time evolution of the gene products. The accuracy of the parameter estimates is refined by iteratively increasing the accuracy of numerical integration using the model structure. As a case study, we applied our framework to four gene circuit models with complex dynamics based on three synthetic datasets and one time series microarray data set. We compared our framework to three state-of-the-art parameter estimation methods and found that our approach consistently generated higher quality parameter solutions efficiently. Although many general-purpose parameter estimation methods have been applied for modeling of gene circuits, our results suggest that the use of more tailored approaches to use domain-specific information may be a key to reverse engineering of complex biological systems. The Author 2013.

  13. A framework for scalable parameter estimation of gene circuit models using structural information

    KAUST Repository

    Kuwahara, Hiroyuki; Fan, Ming; Wang, Suojin; Gao, Xin

    2013-01-01

    Motivation: Systematic and scalable parameter estimation is a key to construct complex gene regulatory models and to ultimately facilitate an integrative systems biology approach to quantitatively understand the molecular mechanisms underpinning gene regulation. Results: Here, we report a novel framework for efficient and scalable parameter estimation that focuses specifically on modeling of gene circuits. Exploiting the structure commonly found in gene circuit models, this framework decomposes a system of coupled rate equations into individual ones and efficiently integrates them separately to reconstruct the mean time evolution of the gene products. The accuracy of the parameter estimates is refined by iteratively increasing the accuracy of numerical integration using the model structure. As a case study, we applied our framework to four gene circuit models with complex dynamics based on three synthetic datasets and one time series microarray data set. We compared our framework to three state-of-the-art parameter estimation methods and found that our approach consistently generated higher quality parameter solutions efficiently. Although many general-purpose parameter estimation methods have been applied for modeling of gene circuits, our results suggest that the use of more tailored approaches to use domain-specific information may be a key to reverse engineering of complex biological systems. The Author 2013.

  14. A framework for scalable parameter estimation of gene circuit models using structural information.

    Science.gov (United States)

    Kuwahara, Hiroyuki; Fan, Ming; Wang, Suojin; Gao, Xin

    2013-07-01

    Systematic and scalable parameter estimation is a key to construct complex gene regulatory models and to ultimately facilitate an integrative systems biology approach to quantitatively understand the molecular mechanisms underpinning gene regulation. Here, we report a novel framework for efficient and scalable parameter estimation that focuses specifically on modeling of gene circuits. Exploiting the structure commonly found in gene circuit models, this framework decomposes a system of coupled rate equations into individual ones and efficiently integrates them separately to reconstruct the mean time evolution of the gene products. The accuracy of the parameter estimates is refined by iteratively increasing the accuracy of numerical integration using the model structure. As a case study, we applied our framework to four gene circuit models with complex dynamics based on three synthetic datasets and one time series microarray data set. We compared our framework to three state-of-the-art parameter estimation methods and found that our approach consistently generated higher quality parameter solutions efficiently. Although many general-purpose parameter estimation methods have been applied for modeling of gene circuits, our results suggest that the use of more tailored approaches to use domain-specific information may be a key to reverse engineering of complex biological systems. http://sfb.kaust.edu.sa/Pages/Software.aspx. Supplementary data are available at Bioinformatics online.

  15. Design optimization of structural parameters in double gate MOSFETs for RF applications

    International Nuclear Information System (INIS)

    Liang Jiale; Xiao Han; Huang Ru; Wang Pengfei; Wang Yangyuan

    2008-01-01

    Double gate (DG) MOSFETs have recently attracted much attention for both logic and analog/RF applications. In this paper we focus on the design consideration of DG devices for RF applications. The different influences of key structural parameters on RF characteristics are comprehensively studied and optimized, including body thickness, spacer length and source/drain raised height. The impact of the fluctuation of geometrical parameters of DG devices on RF figures-of-merit are estimated. In addition, different dominance of structural parameters for RF applications is studied in DG devices with different channel lengths. The dependence of RF performance on the gate length downscaling of DG devices is also discussed. The obtained results give the design guidelines for DG devices for RF applications

  16. Synchronization of chaotic systems with parameter uncertainties via variable structure control

    International Nuclear Information System (INIS)

    Etemadi, Shahram; Alasty, Aria; Salarieh, Hassan

    2006-01-01

    The Letter introduces a robust control design method to synchronize a pair of different uncertain chaotic systems. The technique is based on sliding-mode and variable structure control theories. Comparison of proposed method with previous works is performed during simulations. It is shown that the proposed controller while appearing in a faster response, is able to overcome random uncertainties of all model parameters

  17. Influence of intensity parameters of earthquake on response of reinforced concrete structures

    Science.gov (United States)

    Cherian, Ciby Jacob; Madhavan Pillai, T. M.; Sajith, A. S.

    2018-03-01

    Earthquake is one of the most frightening and destructive phenomena of nature. The destructive capacity of an earthquake depends on various parameters. Without characterising earthquake time history data to the required intensity parameters, its effect on structures cannot be predicted. The influence of intensity parameter of earthquake on the destructive capacity of a structure is essential in the vibration control scenario also. In the present paper, three reinforced concrete (RC) framed structures with natural frequencies 4.688 Hz, 1.762 Hz, 1.661 Hz are used to investigate the influence between the intensity measures and the response. 20 ground motion time history data were selected with predominant frequency ranging from 1 Hz to 12.5 Hz. Some available intensity measures were used to characterise this data. 3D model of the structure was analysed in ETABSUL 13.1.3 software with diaphragm rigidity at floor level. Modal analysis was used to find the modes and corresponding time periods. Linear time history analysis was done for the three models for all the ground motion data. It is noted that four intensity parameters namely predominant frequency, Peak Ground Acceleration, Velocity Spectrum Intensity, Housner Intensity has an appreciable influence on the response.

  18. Effect of scintillometer height on structure parameter of the refractive index of air measurements

    Science.gov (United States)

    Scintillometers measure amount of scintillations by emitting a beam of light over a horizontal path and expresses as the atmospheric turbulence structure parameter as the refractive index of air (Cn**2). Cn**2 represents the turbulent strength of the atmosphere and describes the ability of the atmos...

  19. Synchronization of chaotic systems with parameter uncertainties via variable structure control

    Energy Technology Data Exchange (ETDEWEB)

    Etemadi, Shahram [Centre of Excellence in Design, Robotics and Automation (CEDRA), School of Mechanical Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Alasty, Aria [Centre of Excellence in Design, Robotics and Automation (CEDRA), School of Mechanical Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of)]. E-mail: aalasti@sharif.edu; Salarieh, Hassan [Centre of Excellence in Design, Robotics and Automation (CEDRA), School of Mechanical Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of)

    2006-08-28

    The Letter introduces a robust control design method to synchronize a pair of different uncertain chaotic systems. The technique is based on sliding-mode and variable structure control theories. Comparison of proposed method with previous works is performed during simulations. It is shown that the proposed controller while appearing in a faster response, is able to overcome random uncertainties of all model parameters.

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

    International Nuclear Information System (INIS)

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

    2002-01-01

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

  1. Analysis of deuterium relaxation-derived methyl axis order parameters and correlation with local structure

    International Nuclear Information System (INIS)

    Mittermaier, Anthony; Kay, Lewis E.; Forman-Kay, Julie D.

    1999-01-01

    Methyl axis (S2axis) and backbone NH (S2NH) order parameters derived from eight proteins have been analyzed. Similar distribution profiles for Ala S2axis and S2NH order parameters were observed. A good correlation between the two S2axis values of Val and Leu methyl groups is noted, although differences between order parameters can arise. The relation of S2axis or S2NH to solvent accessibility and packing density has also been investigated. Correlations are weak, likely reflecting the importance of collective, non-local motions in proteins. The lack of correlation between these simple structural parameters and dynamics emphasizes the importance of motional studies to fully characterize proteins

  2. Influence of La and Sr addition on the structural parameter of PbTiO3

    International Nuclear Information System (INIS)

    Garcia, D.; Mascarenhas, Y.P.; Oliveira Paiva Santos, C. de; Eiras, J.A.

    1989-01-01

    Compositions of (Pb 1-x Ln x ) (Ti 1-y Mn y )O 3 (Ln = La, Sr; 0 0 C and sintered at 1200 0 C. The influence of the adition of La and Sr in the structural parameters of the tetragonal lattice of the lead titanate (PbTiO 3 ) was investigated with X-ray diffraction. The doping, with La or Sr, increase the lattice parameter a and decrease de parameter c of the PbTiO 3 . The variation of a and c increase with the dopant concentration and is greather in the La doped samples. The addition of 1% mol of Mn in these compositions increase the their sinterability. The apparent densites were compared with those calculated from the lattice parameters a and c. A decrease of the Curie temperature T c was observed when the concentration of La or Sr was increased. (author) [pt

  3. The impact of structural error on parameter constraint in a climate model

    Science.gov (United States)

    McNeall, Doug; Williams, Jonny; Booth, Ben; Betts, Richard; Challenor, Peter; Wiltshire, Andy; Sexton, David

    2016-11-01

    Uncertainty in the simulation of the carbon cycle contributes significantly to uncertainty in the projections of future climate change. We use observations of forest fraction to constrain carbon cycle and land surface input parameters of the global climate model FAMOUS, in the presence of an uncertain structural error. Using an ensemble of climate model runs to build a computationally cheap statistical proxy (emulator) of the climate model, we use history matching to rule out input parameter settings where the corresponding climate model output is judged sufficiently different from observations, even allowing for uncertainty. Regions of parameter space where FAMOUS best simulates the Amazon forest fraction are incompatible with the regions where FAMOUS best simulates other forests, indicating a structural error in the model. We use the emulator to simulate the forest fraction at the best set of parameters implied by matching the model to the Amazon, Central African, South East Asian, and North American forests in turn. We can find parameters that lead to a realistic forest fraction in the Amazon, but that using the Amazon alone to tune the simulator would result in a significant overestimate of forest fraction in the other forests. Conversely, using the other forests to tune the simulator leads to a larger underestimate of the Amazon forest fraction. We use sensitivity analysis to find the parameters which have the most impact on simulator output and perform a history-matching exercise using credible estimates for simulator discrepancy and observational uncertainty terms. We are unable to constrain the parameters individually, but we rule out just under half of joint parameter space as being incompatible with forest observations. We discuss the possible sources of the discrepancy in the simulated Amazon, including missing processes in the land surface component and a bias in the climatology of the Amazon.

  4. 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.

  5. Ensuring Structural Integrity through Reliable Residual Stress Measurement: From Crystals to Crankshafts

    International Nuclear Information System (INIS)

    Edwards, Lyndon

    2005-01-01

    Full text: The determination of accurate, reliable stresses is critical to many fields of engineering and, in particular, the structural integrity and hence, safety, of many systems. Neutron stress measurement is a non-destructive technique that uniquely provides insights into stress fields deep within components and structures. As such, it has become an increasingly important tool within the engineering community leading to improved manufacturing processes to reduce stress and distortion as well as to the definition of more precise structural integrity lifting procedures. This talk describes the current state of the art and identifies the key opportunities for improved structural integrity provided by the 2nd generation dedicated engineering stress diffractometers currently being designed and commissioned world-wide. Examples are provided covering a range of industrially relevant problems from the fields. (author)

  6. Relating structural parameters to leachability in a glass-bonded ceramic waste form

    International Nuclear Information System (INIS)

    Frank, S. M.; Johnson, S. G.; Moschetti, T. L.

    1998-01-01

    Lattice parameters for a crystalline material can be obtained by several methods, notably by analyzing x-ray powder diffraction patterns. By utilizing a computer program to fit a pattern, one can follow the evolution or subtle changes in a structure of a crystalline species in different environments. This work involves such a study for an essential component of the ceramic waste form that is under development at Argonne National Laboratory. Zeolite 4A and zeolite 5A are used to produce two different types of waste forms: a glass-bonded sodalite and a glass-bonded zeolite, respectively. Changes in structure during production of the waste forms are discussed. Specific salt-loadings in the sodalite waste form are related to relative peak intensities of certain reflections in the XRD patterns. Structural parameters for the final waste forms will also be given and related to leachability under standard conditions

  7. Strain concentration at structural discontinuities and its quantification by elastic follow-up parameter

    International Nuclear Information System (INIS)

    Kasahara, Naoto; Takasho, Hideki

    1998-12-01

    Elevated temperature structural design codes pay attention to strain concentration at structural discontinuities due to creep and plasticity, since it causes to enlarge creep-fatigue damage of material. One of the difficulties to predict strain concentration is its dependency on loading, constitutive equations, and relaxation time. This study investigated fundamental mechanism of strain concentration and its main factors. It was clarified that strain concentration was caused from strain redistribution between elastic and inelastic regions, which can be quantified by the elastic follow-up parameter. As a function of inelastic strain, the elastic follow-up parameter can describe variation of strain concentration during incremental loading and relaxation process, caused by transition of strain distribution from peak strain concentration to secondary stress redistribution. Structures have their own elastic follow-up characteristics as a function of inelastic strain, which is insensitive to constitutive equations. It means that application of inelastic analysis is not difficult to obtain elastic follow-up characteristics. (author)

  8. Influence analysis of structural parameters on electromagnetic properties of HTS linear induction motor

    International Nuclear Information System (INIS)

    Zhao, J.; Zheng, T.Q.; Zhang, W.; Fang, J.; Liu, Y.M.

    2011-01-01

    A new type high temperature superconductor linear induction motor is designed and analyzed as a prototype to ensure applicability aimed at industrial motors. Made of Bi-2223/Ag, primary windings are distributed with the double-layer concentrated structure. The motor is analyzed by 2D electromagnetic Finite Element Method to get magnetic field distribution, thrust force, vertical force and so on. The critical current of motor and the electromagnetic force are mostly decided by the leakage flux density of primary slot and by the main magnetic flux and eddy current respectively. The structural parameters of motor have a great influence on the distribution of magnetic field. Under constant currents, the properties of motor are analyzed with different slot widths, slot heights and winding turns. The properties of motor, such as the maximum slot leakage flux density, motor thrust and motor vertical force, are analyzed with different structural parameters.

  9. Airborne-Measured Spatially-Averaged Temperature and Moisture Turbulent Structure Parameters Over a Heterogeneous Surface

    Science.gov (United States)

    Platis, Andreas; Martinez, Daniel; Bange, Jens

    2014-05-01

    Turbulent structure parameters of temperature and humidity can be derived from scintillometer measurements along horizontal paths of several 100 m to several 10 km. These parameters can be very useful to estimate the vertical turbulent heat fluxes at the surface (applying MOST). However, there are many assumptions required by this method which can be checked using in situ data, e.g. 1) Were CT2 and CQ2 correctly derived from the initial CN2 scintillometer data (structure parameter of density fluctuations or refraction index, respectively)? 2) What is the influence of the surround hetereogeneous surface regarding its footprint and the weighted averaging effect of the scintillometer method 3) Does MOST provide the correct turbulent fluxes from scintillometer data. To check these issues, in situ data from low-level flight measurements are well suited, since research aircraft cover horizontal distances in very short time (Taylor's hypothesis of a frozen turbulence structure can be applyed very likely). From airborne-measured time series the spatial series are calculated and then their structure functions that finally provide the structure parameters. The influence of the heterogeneous surface can be controlled by the definition of certain moving-average window sizes. A very useful instrument for this task are UAVs since they can fly very low and maintain altitude very precisely. However, the data base of such unmanned operations is still quite thin. So in this contribution we want to present turbulence data obtained with the Helipod, a turbulence probe hanging below a manned helicopter. The structure parameters of temperature and moisture, CT2 and CQ2, in the lower convective boundary layer were derived from data measured using the Helipod in 2003. The measurements were carried out during the LITFASS03 campaign over a heterogeneous land surface around the boundary-layer field site of the Lindenberg Meteorological Observatory-Richard-Aßmann-Observatory (MOL) of the

  10. Effect of varying geometrical parameters of trapezoidal corrugated-core sandwich structure

    Directory of Open Access Journals (Sweden)

    Zaid N.Z.M.

    2017-01-01

    Full Text Available Sandwich structure is an attractive alternative that increasingly used in the transportation and aerospace industry. Corrugated-core with trapezoidal shape allows enhancing the damage resistance to the sandwich structure, but on the other hand, it changes the structural response of the sandwich structure. The aim of this paper is to study the effect of varying geometrical parameters of trapezoidal corrugated-core sandwich structure under compression loading. The corrugated-core specimen was fabricated using press technique, following the shape of trapezoidal shape. Two different materials were used in the study, glass fibre reinforced plastic (GFRP and carbon fibre reinforced plastic (CFRP. The result shows that the mechanical properties of the core in compression loading are sensitive to the variation of a number of unit cells and the core thickness.

  11. Influence of choice of null network on small-world parameters of structural correlation networks.

    Directory of Open Access Journals (Sweden)

    S M Hadi Hosseini

    Full Text Available In recent years, coordinated variations in brain morphology (e.g., volume, thickness have been employed as a measure of structural association between brain regions to infer large-scale structural correlation networks. Recent evidence suggests that brain networks constructed in this manner are inherently more clustered than random networks of the same size and degree. Thus, null networks constructed by randomizing topology are not a good choice for benchmarking small-world parameters of these networks. In the present report, we investigated the influence of choice of null networks on small-world parameters of gray matter correlation networks in healthy individuals and survivors of acute lymphoblastic leukemia. Three types of null networks were studied: 1 networks constructed by topology randomization (TOP, 2 networks matched to the distributional properties of the observed covariance matrix (HQS, and 3 networks generated from correlation of randomized input data (COR. The results revealed that the choice of null network not only influences the estimated small-world parameters, it also influences the results of between-group differences in small-world parameters. In addition, at higher network densities, the choice of null network influences the direction of group differences in network measures. Our data suggest that the choice of null network is quite crucial for interpretation of group differences in small-world parameters of structural correlation networks. We argue that none of the available null models is perfect for estimation of small-world parameters for correlation networks and the relative strengths and weaknesses of the selected model should be carefully considered with respect to obtained network measures.

  12. Influence of Choice of Null Network on Small-World Parameters of Structural Correlation Networks

    Science.gov (United States)

    Hosseini, S. M. Hadi; Kesler, Shelli R.

    2013-01-01

    In recent years, coordinated variations in brain morphology (e.g., volume, thickness) have been employed as a measure of structural association between brain regions to infer large-scale structural correlation networks. Recent evidence suggests that brain networks constructed in this manner are inherently more clustered than random networks of the same size and degree. Thus, null networks constructed by randomizing topology are not a good choice for benchmarking small-world parameters of these networks. In the present report, we investigated the influence of choice of null networks on small-world parameters of gray matter correlation networks in healthy individuals and survivors of acute lymphoblastic leukemia. Three types of null networks were studied: 1) networks constructed by topology randomization (TOP), 2) networks matched to the distributional properties of the observed covariance matrix (HQS), and 3) networks generated from correlation of randomized input data (COR). The results revealed that the choice of null network not only influences the estimated small-world parameters, it also influences the results of between-group differences in small-world parameters. In addition, at higher network densities, the choice of null network influences the direction of group differences in network measures. Our data suggest that the choice of null network is quite crucial for interpretation of group differences in small-world parameters of structural correlation networks. We argue that none of the available null models is perfect for estimation of small-world parameters for correlation networks and the relative strengths and weaknesses of the selected model should be carefully considered with respect to obtained network measures. PMID:23840672

  13. Orientation of aromatic residues in amyloid cores: Structural insights into prion fiber diversity

    KAUST Repository

    Reymer, Anna

    2014-11-17

    Structural conversion of one given protein sequence into different amyloid states, resulting in distinct phenotypes, is one of the most intriguing phenomena of protein biology. Despite great efforts the structural origin of prion diversity remains elusive, mainly because amyloids are insoluble yet noncrystalline and therefore not easily amenable to traditional structural-biology methods. We investigate two different phenotypic prion strains, weak and strong, of yeast translation termination factor Sup35 with respect to angular orientation of tyrosines using polarized light spectroscopy. By applying a combination of alignment methods the degree of fiber orientation can be assessed, which allows a relatively accurate determination of the aromatic ring angles. Surprisingly, the strains show identical average orientations of the tyrosines, which are evenly spread through the amyloid core. Small variations between the two strains are related to the local environment of a fraction of tyrosines outside the core, potentially reflecting differences in fibril packing.

  14. Determination of structural and spectroscopic parameters of 4-hydroxyantipyrine, using DFT method

    International Nuclear Information System (INIS)

    Catikkas, B.; Aktan, E.

    2010-01-01

    In this study, structural and vibrational parameters were calculated. First of all, conformational analysis of 4-hydroxyantipyrine was carried out in gas phase. Then, the geometric parameters (bond length, bond angle and tortion angle) of the most stable conformer were calculated and the Infrared and Raman frequencies of fundamental modes were determined. Calculations were made by using DFT B3LYP/6-311+G(d,p) method implemented the Gaussian 03 program. Afterwards, vibrational assignments of the title molecule were calculated by using Scaled Quantum Mechanical (SQM) analysis. In conclusion, calculated values were compared with corresponding experimental results.

  15. Superhard behaviour, low residual stress, and unique structure in diamond-like carbon films by simple bilayer approach

    International Nuclear Information System (INIS)

    Dwivedi, Neeraj; Kumar, Sushil; Malik, Hitendra K.

    2012-01-01

    Simple bilayer approach is proposed for synthesizing hard and superhard diamond-like carbon (DLC) coatings with reduced residual stress. For this, M/DLC bilayer (M = Ti and Cu) structures are grown using hybrid system involving radio frequency (RF)-sputtering and RF-plasma enhanced chemical vapor deposition techniques. Ti/DLC bilayer deposited at negative self bias of 100 V shows superhard behaviour with hardness (H) as 49 GPa. Cu/DLC bilayer grown at self bias of 100 V exhibits hard behaviour with H as 22.8 GPa. The hardness of Ti/DLC (Cu/DLC) bilayer gets changed from superhard (hard) to hard (moderate hard) regime, when the self bias is raised to 300 V. Residual stress in Ti/DLC (Cu/DLC) bilayer is found to be significantly low that varies in the range of 1 GPa-1.65 GPa (0.8 GPa-1.6 GPa). The microstructure and morphology are studied by Raman spectroscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM). SEM and AFM pictures reveal the creation of nanostructured features in the deposited bilayers. Raman, SEM, and AFM analyses are correlated with the nano-mechanical properties. Owing to excellent nano-mechanical properties, these bilayers can find their direct industrial applications as hard and protective coatings.

  16. Statistical evaluation of low cycle loading curves parameters for structural materials by mechanical characteristics

    International Nuclear Information System (INIS)

    Daunys, Mykolas; Sniuolis, Raimondas

    2006-01-01

    About 300 welded joint materials that are used in nuclear power energy were tested under monotonous tension and low cycle loading in Kaunas University of Technology together with St. Peterburg Central Research Institute of Structural Materials in 1970-2000. The main mechanical, low cycle loading and fracture characteristics of base metals, weld metals and some heat-affected zones of welded joints metals were determined during these experiments. Analytical dependences of low cycle fatigue parameters on mechanical characteristics of structural materials were proposed on the basis of a large number of experimental data, obtained by the same methods and testing equipment. When these dependences are used, expensive low cycle fatigue tests may be omitted and it is possible to compute low cycle loading curves parameters and lifetime for structural materials according to the main mechanical characteristics given in technical manuals. Dependences of low cycle loading curves parameters on mechanical characteristics for several groups of structural materials used in Russian nuclear power energy are obtained by statistical methods and proposed in this paper

  17. Mode analysis and structure parameter optimization of a novel SiGe-OI rib optical waveguide

    Energy Technology Data Exchange (ETDEWEB)

    Feng Song; Gao Yong; Yang Yuan [Department of Electronic Engineering, Xi' an University of Technology, Xi' an 710048 (China); Feng Yuchun, E-mail: vonfs@yahoo.com.c [Key Laboratories of Optoelectronic Devices and Systems, Shenzhen University, Shenzhen 518060 (China)

    2009-08-15

    The mode of a novel SiGe-OI optical waveguide is analyzed, and its single-mode conditions are derived. The Ge content and structure parameters of SiGe-OI optical waveguides are respectively optimized. Under an operation wavelength of 1300 nm, the structures of SiGe-OI rib optical waveguides are built and analyzed with Optiwave software, and the optical field and transmission losses of the SiGe-OI rib optical waveguides are analyzed. The optimization results show that when the structure parameters H, h, W are respectively 500 nm, 250 nm, 500 nm and the Ge content is 5%, the total power loss of SiGe-OI rib waveguides is 0.3683 dB/cm considering the loss of radiation outside the waveguides and materials, which is less than the traditional value of 0.5 dB/cm. The analytical technique for SiGe-OI optical waveguides and structure parameters computed by this paper are proved to be accurate and computationally efficient compared with the beam propagation method (BPM) and the experimental results. (semiconductor devices)

  18. A simplified method for random vibration analysis of structures with random parameters

    International Nuclear Information System (INIS)

    Ghienne, Martin; Blanzé, Claude

    2016-01-01

    Piezoelectric patches with adapted electrical circuits or viscoelastic dissipative materials are two solutions particularly adapted to reduce vibration of light structures. To accurately design these solutions, it is necessary to describe precisely the dynamical behaviour of the structure. It may quickly become computationally intensive to describe robustly this behaviour for a structure with nonlinear phenomena, such as contact or friction for bolted structures, and uncertain variations of its parameters. The aim of this work is to propose a non-intrusive reduced stochastic method to characterize robustly the vibrational response of a structure with random parameters. Our goal is to characterize the eigenspace of linear systems with dynamic properties considered as random variables. This method is based on a separation of random aspects from deterministic aspects and allows us to estimate the first central moments of each random eigenfrequency with a single deterministic finite elements computation. The method is applied to a frame with several Young's moduli modeled as random variables. This example could be expanded to a bolted structure including piezoelectric devices. The method needs to be enhanced when random eigenvalues are closely spaced. An indicator with no additional computational cost is proposed to characterize the ’’proximity” of two random eigenvalues. (paper)

  19. Identification of residues important for the activity of aldehyde-deformylating oxygenase through investigation into the structure-activity relationship.

    Science.gov (United States)

    Wang, Qing; Bao, Luyao; Jia, Chenjun; Li, Mei; Li, Jian-Jun; Lu, Xuefeng

    2017-03-16

    Aldehyde-deformylating oxygenase (ADO) is a key enzyme involved in the biosynthetic pathway of fatty alk(a/e)nes in cyanobacteria. However, cADO (cyanobacterial ADO) showed extreme low activity with the k cat value below 1 min -1 , which would limit its application in biofuel production. To identify the activity related key residues of cADO is urgently required. The amino acid residues which might affect cADO activity were identified based on the crystal structures and sequence alignment of cADOs, including the residues close to the di-iron center (Tyr39, Arg62, Gln110, Tyr122, Asp143 of cADO-1593), the protein surface (Trp 178 of cADO-1593), and those involved in two important hydrogen bonds (Gln49, Asn123 of cADO-1593, and Asp49, Asn123 of cADO-sll0208) and in the oligopeptide whose conformation changed in the absence of the di-iron center (Leu146, Asn149, Phe150 of cADO-1593, and Thr146, Leu148, Tyr150 of cADO-sll0208). The variants of cADO-1593 from Synechococcus elongatus PCC7942 and cADO-sll0208 from Synechocystis sp. PCC6803 were constructed, overexpressed, purified and kinetically characterized. The k cat values of L146T, Q49H/N123H/F150Y and W178R of cADO-1593 and L148R of cADO-sll0208 were increased by more than two-fold, whereas that of R62A dropped by 91.1%. N123H, Y39F and D143A of cADO-1593, and Y150F of cADO-sll0208 reduced activities by ≤ 20%. Some important amino acids, which exerted some effects on cADO activity, were identified. Several enzyme variants exhibited greatly reduced activity, while the k cat values of several mutants are more than two-fold higher than the wild type. This study presents the report on the relationship between amino acid residues and enzyme activity of cADOs, and the information will provide a guide for enhancement of cADO activity through protein engineering.

  20. Monitoring early hydration of reinforced concrete structures using structural parameters identified by piezo sensors via electromechanical impedance technique

    Science.gov (United States)

    Talakokula, Visalakshi; Bhalla, Suresh; Gupta, Ashok

    2018-01-01

    Concrete is the most widely used material in civil engineering construction. Its life begins when the hydration process is activated after mixing the cement granulates with water. In this paper, a non-dimensional hydration parameter, obtained from piezoelectric ceramic (PZT) patches bonded to rebars embedded inside concrete, is employed to monitor the early age hydration of concrete. The non-dimensional hydration parameter is derived from the equivalent stiffness determined from the piezo-impedance transducers using the electro-mechanical impedance (EMI) technique. The focus of the study is to monitor the hydration process of cementitious materials commencing from the early hours and continue till 28 days using single non-dimensional parameter. The experimental results show that the proposed piezo-based non-dimensional hydration parameter is very effective in monitoring the early age hydration, as it has been derived from the refined structural impedance parameters, obtained by eliminating the PZT contribution, and using both the real and imaginary components of the admittance signature.

  1. 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)

  2. Parameter study of self-absorption effects in Total Reflection X-ray Fluorescence-X-ray Absorption Near Edge Structure analysis of arsenic

    International Nuclear Information System (INIS)

    Meirer, F.; Pepponi, G.; Streli, C.; Wobrauschek, P.; Kregsamer, P.; Zoeger, N.; Falkenberg, G.

    2008-01-01

    Total reflection X-ray Fluorescence (TXRF) analysis in combination with X-ray Absorption Near Edge Structure (XANES) analysis is a powerful method to perform chemical speciation studies at trace element levels. However, when measuring samples with higher concentrations and in particular standards, damping of the oscillations is observed. In this study the influence of self-absorption effects on TXRF-XANES measurements was investigated by comparing measurements with theoretical calculations. As(V) standard solutions were prepared at various concentrations and dried on flat substrates. The measurements showed a correlation between the damping of the oscillations and the As mass deposited. A Monte-Carlo simulation was developed using data of the samples shapes obtained from confocal white light microscopy. The results showed good agreement with the measurements; they confirmed that the key parameters are the density of the investigated atom in the dried residues and the shape of the residue, parameters that combined define the total mass crossed by a certain portion of the incident beam. The study presents a simple approach for an a priori evaluation of the self-absorption in TXRF X-ray absorption studies. The consequences for Extended X-ray Absorption Fine Structure (EXAFS) and XANES measurements under grazing incidence conditions are discussed, leading to the conclusion that the damping of the oscillations seems to make EXAFS of concentrated samples non feasible. For XANES 'fingerprint' analysis samples should be prepared with a deposited mass and sample shape leading to an acceptable absorption for the actual investigation

  3. Structural order parameter in the pyrochlore superconductor Cd sub 2 Re sub 2 O sub 7

    CERN Document Server

    Sergienko, I A

    2003-01-01

    It is shown that both structural phase transitions in Cd sub 2 Re sub 2 O sub 7 , which occur at T sub s sub 1 = 200 K and T sub s sub 2 = 120 K, are due to an instability of the Re tetrahedral network with respect to the same doubly degenerate long-wavelength phonon mode. The primary structural order parameter transforms according to the irreducible representation E sub u of the point group O sub h. We argue that the transition at T sub s sub 1 may be of the second order, in accordance with experimental data. We obtain the phase diagram in the space of phenomenological parameters and propose a thermodynamic path that Cd sub 2 Re sub 2 O sub 7 follows upon cooling. Coupling of the itinerant electronic system and localized spin states in pyrochlores and spinels to atomic displacements are discussed. (author)

  4. Structural characterization of coagulant Moringa oleifera Lectin and its effect on hemostatic parameters.

    Science.gov (United States)

    Luz, Luciana de Andrade; Silva, Mariana Cristina Cabral; Ferreira, Rodrigo da Silva; Santana, Lucimeire Aparecida; Silva-Lucca, Rosemeire Aparecida; Mentele, Reinhard; Oliva, Maria Luiza Vilela; Paiva, Patricia Maria Guedes; Coelho, Luana Cassandra Breitenbach Barroso

    2013-07-01

    Lectins are carbohydrate recognition proteins. cMoL, a coagulant Moringa oleifera Lectin, was isolated from seeds of the plant. Structural studies revealed a heat-stable and pH resistant protein with 101 amino acids, 11.67 theoretical pI and 81% similarity with a M. oleifera flocculent protein. Secondary structure content was estimated as 46% α-helix, 12% β-sheets, 17% β-turns and 25% unordered structures belonging to the α/β tertiary structure class. cMoL significantly prolonged the time required for blood coagulation, activated partial thromboplastin (aPTT) and prothrombin times (PT), but was not so effective in prolonging aPTT in asialofetuin presence. cMoL acted as an anticoagulant protein on in vitro blood coagulation parameters and at least on aPTT, the lectin interacted through the carbohydrate recognition domain. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. Bifurcation Observation of Combining Spiral Gear Transmission Based on Parameter Domain Structure Analysis

    Directory of Open Access Journals (Sweden)

    He Lin

    2016-01-01

    Full Text Available This study considers the bifurcation evolutions for a combining spiral gear transmission through parameter domain structure analysis. The system nonlinear vibration equations are created with piecewise backlash and general errors. Gill’s numerical integration algorithm is implemented in calculating the vibration equation sets. Based on cell-mapping method (CMM, two-dimensional dynamic domain planes have been developed and primarily focused on the parameters of backlash, transmission error, mesh frequency and damping ratio, and so forth. Solution demonstrates that Period-doubling bifurcation happens as the mesh frequency increases; moreover nonlinear discontinuous jump breaks the periodic orbit and also turns the periodic state into chaos suddenly. In transmission error planes, three cell groups which are Period-1, Period-4, and Chaos have been observed, and the boundary cells are the sensitive areas to dynamic response. Considering the parameter planes which consist of damping ratio associated with backlash, transmission error, mesh stiffness, and external load, the solution domain structure reveals that the system step into chaos undergoes Period-doubling cascade with Period-2m (m: integer periodic regions. Direct simulations to obtain the bifurcation diagram and largest Lyapunov exponent (LE match satisfactorily with the parameter domain solutions.

  6. Effect of conditioning by PAM polymers with different charges on the structural and characteristic evolutions of water treatment residuals.

    Science.gov (United States)

    Yan, W L; Wang, Y L; Chen, Y J

    2013-11-01

    Three types of polyacrylamide (PAM) flocculants with different charges (cationic PAM WD4960, nonionic PAM M351, and anionic PAM WDA110) were used for water treatment residuals (WTRs) conditioning, and the physicochemical, morphological and structural characteristics of raw and conditioned WTRs were investigated. Rheological methods were employed to analyze the internal structural transition between the raw and conditioned WTRs under a typical dosage of WD4960. Results showed that when the raw WTRs were conditioned with the polymers, the optimum dosage of WD4960 was 4.82 g/kg total suspended solid (TSS) while that of both M351 and WDA110 was 7.24 g/kg TSS. The residual PAM content in the supernatant of the WTR matrix conditioned at the optimum WD4960 dosage was 5.59 mg/L, which is the least among the supernatants obtained with the three types of PAM. Furthermore, the visible fulvic acid (FA) in the supernatant disappeared and the intensity of the ultraviolet FA decreased. The average diameter of irregularly shaped aggregates in the WTR suspensions increased from 35.73 μm to several hundred micrometers with increasing PAM dosage. The size of WTR aggregates conditioned at the optimum WD4960 dosage was much larger than that of aggregates obtained at the optimum M351 or WDA110 dosages. Two-dimensional fractal dimension (D2) values presented an increasing trend with increasing PAM dosage. D2 values of the conditioned WTR aggregates were 1.87, 1.76, and 1.83 at optimum WD4960, M351, and WDA110 dosages, respectively. The cationic PAM (CPAM) WD4960 thus appears to be a more ideal conditioner for WTRs. Consistent relationships were observed among the capillary suction time (CST), average particle size, and D2 values of the conditioned WTR aggregates at the optimum WD4960 dosage. Mass fractal dimensions (D(f)) indicated that both the raw and WD4960-conditioned WTRs behave like weak-link flocs/aggregates. D(f) values (log G'-log TSS) of the WTR aggregates before and after

  7. Lattice-parameter-difference measurement of heteroepitaxial structures by means of extremely asymmetrical Bragg diffraction

    International Nuclear Information System (INIS)

    Pietsch, U.; Borchard, W.

    1987-01-01

    The sensitivity of measurements of the lattice-parameter difference in monocrystalline heterostructures can be enhanced by use of an extremely asymmetrical diffraction geometry. If the angle of incidence is somewhat higher than the critical angle for total external reflection, the Bragg peak is shifted from the position calculated by kinematic theory. The amount of shift depends on the angle of incidence as well as on the mass density of the material used. For heteroepitaxial structures both the layer and the substrate peaks are shifted but by different amounts. Therefore it becomes possible to characterize layers of totally lattice-matched structures also. (orig.)

  8. Structural Parameters and Strengthening Mechanisms in Cold-Drawn Pearlitic Steel Wires

    DEFF Research Database (Denmark)

    Zhang, Xiaodan; Godfrey, Andy; Huang, Xiaoxu

    2012-01-01

    Pearlitic steel wires have a nanoscale structure and a strength which can reach 5 GPa. In order to investigate strengthening mechanisms, structural parameters including interlamellar spacing, dislocation density and cementite decomposition, have been analyzed by transmission electron microscopy...... and high resolution electron microscopy in wires cold drawn up to a strain of 3.7. Three strengthening mechanisms, namely boundary strengthening, dislocation strengthening and solid solution hardening have been analyzed and good agreement has been found between the measured flow stress and the value...

  9. Experimental Active Vibration Control in Truss Structures Considering Uncertainties in System Parameters

    Directory of Open Access Journals (Sweden)

    Douglas Domingues Bueno

    2008-01-01

    Full Text Available This paper deals with the study of algorithms for robust active vibration control in flexible structures considering uncertainties in system parameters. It became an area of enormous interest, mainly due to the countless demands of optimal performance in mechanical systems as aircraft, aerospace, and automotive structures. An important and difficult problem for designing active vibration control is to get a representative dynamic model. Generally, this model can be obtained using finite element method (FEM or an identification method using experimental data. Actuators and sensors may affect the dynamics properties of the structure, for instance, electromechanical coupling of piezoelectric material must be considered in FEM formulation for flexible and lightly damping structure. The nonlinearities and uncertainties involved in these structures make it a difficult task, mainly for complex structures as spatial truss structures. On the other hand, by using an identification method, it is possible to obtain the dynamic model represented through a state space realization considering this coupling. This paper proposes an experimental methodology for vibration control in a 3D truss structure using PZT wafer stacks and a robust control algorithm solved by linear matrix inequalities.

  10. Influence of structural parameter included in nonlocal rock mass model on stress concentration around circular tunnel

    Science.gov (United States)

    Lavrikov, SV; Mikenina, OA; Revuzhenko, AF

    2018-03-01

    A model of elastic body, including local curvature of elementary volume, is matched with a nonlocal model with a linear structural parameter in the differential approximation. The problem on deformation of rock mass around a circular cross section tunnel is solved numerically. The contours of the calculated stresses are plotted. It is shown that inclusion of local bends in the model results in expansion of influence zone of the tunnel and reduces stress concentration factor at the tunnel boundary.

  11. Effect of Pressing Parameters on the Structure of Porous Materials Based on Cobalt and Nickel Powders

    Science.gov (United States)

    Shustov, V. S.; Rubtsov, N. M.; Alymov, M. I.; Ankudinov, A. B.; Evstratov, E. V.; Zelensky, V. A.

    2018-03-01

    Porous materials with a bulk porosity of more than 68% were synthesized by powder metallurgy methods from a cobalt-nickel mixture. The effect of the ratio of nickel and cobalt powders used in the synthesis of this porous material (including cases when either nickel or cobalt alone was applied) and the conditions of their compaction on structural parameters, such as open and closed porosities and pose size, was established.

  12. Residual mass considerations in modal analysis of large dynamic structural systems

    International Nuclear Information System (INIS)

    Shulman, J.S.; Day, J.P.

    1991-01-01

    Industry guidelines have specified that the seismic evaluation of Moderate and High Hazard Department of Energy (DOE) facilities be accomplished by use of dynamic analysis. The recommended approach is elastic response spectrum dynamic analysis to evaluate the elastic system demand on facility components. The application of modal response spectrum analysis to the seismic evaluation of nuclear facility structures, systems and equipment involves approximations due to limitations on the number of modes typically addressed in the complete dynamic solution. A simplified approach for achieving improved rigor in accounting for responses of the higher frequency modes in a modal response spectrum analysis is demonstrated

  13. Explicitly integrating parameter, input, and structure uncertainties into Bayesian Neural Networks for probabilistic hydrologic forecasting

    KAUST Repository

    Zhang, Xuesong

    2011-11-01

    Estimating uncertainty of hydrologic forecasting is valuable to water resources and other relevant decision making processes. Recently, Bayesian Neural Networks (BNNs) have been proved powerful tools for quantifying uncertainty of streamflow forecasting. In this study, we propose a Markov Chain Monte Carlo (MCMC) framework (BNN-PIS) to incorporate the uncertainties associated with parameters, inputs, and structures into BNNs. This framework allows the structure of the neural networks to change by removing or adding connections between neurons and enables scaling of input data by using rainfall multipliers. The results show that the new BNNs outperform BNNs that only consider uncertainties associated with parameters and model structures. Critical evaluation of posterior distribution of neural network weights, number of effective connections, rainfall multipliers, and hyper-parameters shows that the assumptions held in our BNNs are not well supported. Further understanding of characteristics of and interactions among different uncertainty sources is expected to enhance the application of neural networks for uncertainty analysis of hydrologic forecasting. © 2011 Elsevier B.V.

  14. 3-D lithospheric structure and regional/residual Bouguer anomalies in the Arabia-Eurasia collision (Iran)

    Science.gov (United States)

    Jiménez-Munt, I.; Fernãndez, M.; Saura, E.; Vergés, J.; Garcia-Castellanos, D.

    2012-09-01

    The aim of this work is to propose a first-order estimate of the crustal and lithospheric mantle geometry of the Arabia-Eurasia collision zone and to separate the measured Bouguer anomaly into its regional and local components. The crustal and lithospheric mantle structure is calculated from the geoid height and elevation data combined with thermal analysis. Our results show that Moho depth varies from ˜42 km at the Mesopotamian-Persian Gulf foreland basin to ˜60 km below the High Zagros. The lithosphere is thicker beneath the foreland basin (˜200 km) and thinner underneath the High Zagros and Central Iran (˜140 km). Most of this lithospheric mantle thinning is accommodated under the Zagros mountain belt coinciding with the suture between two different mantle domains on the Sanandaj-Sirjan Zone. The regional gravity field is obtained by calculating the gravimetric response of the 3-D crustal and lithospheric mantle structure obtained by combining elevation and geoid data. The calculated regional Bouguer anomaly differs noticeably from those obtained by filtering or just isostatic methods. The residual gravity anomaly, obtained by subtraction of the regional components to the measured field, is analyzed in terms of the dominating upper crustal structures. Deep basins and areas with salt deposits are characterized by negative values (˜-20 mGal), whereas the positive values are related to igneous and ophiolite complexes and shallow basement depths (˜20 mGal).

  15. A stretch of residues within the protease-resistant core is not necessary for prion structure and infectivity.

    Science.gov (United States)

    Munoz-Montesino, Carola; Sizun, Christina; Moudjou, Mohammed; Herzog, Laetitia; Reine, Fabienne; Igel-Egalon, Angelique; Barbereau, Clément; Chapuis, Jérôme; Ciric, Danica; Laude, Hubert; Béringue, Vincent; Rezaei, Human; Dron, Michel

    2017-01-02

    Mapping out regions of PrP influencing prion conversion remains a challenging issue complicated by the lack of prion structure. The portion of PrP associated with infectivity contains the α-helical domain of the correctly folded protein and turns into a β-sheet-rich insoluble core in prions. Deletions performed so far inside this segment essentially prevented the conversion. Recently we found that deletion of the last C-terminal residues of the helix H2 was fully compatible with prion conversion in the RK13-ovPrP cell culture model, using 3 different infecting strains. This was in agreement with preservation of the overall PrP C structure even after removal of up to one-third of this helix. Prions with internal deletion were infectious for cells and mice expressing the wild-type PrP and they retained prion strain-specific characteristics. We thus identified a piece of the prion domain that is neither necessary for the conformational transition of PrP C nor for the formation of a stable prion structure.

  16. A quantitative analysis of secondary RNA structure using domination based parameters on trees

    Directory of Open Access Journals (Sweden)

    Zou Yue

    2006-03-01

    Full Text Available Abstract Background It has become increasingly apparent that a comprehensive database of RNA motifs is essential in order to achieve new goals in genomic and proteomic research. Secondary RNA structures have frequently been represented by various modeling methods as graph-theoretic trees. Using graph theory as a modeling tool allows the vast resources of graphical invariants to be utilized to numerically identify secondary RNA motifs. The domination number of a graph is a graphical invariant that is sensitive to even a slight change in the structure of a tree. The invariants selected in this study are variations of the domination number of a graph. These graphical invariants are partitioned into two classes, and we define two parameters based on each of these classes. These parameters are calculated for all small order trees and a statistical analysis of the resulting data is conducted to determine if the values of these parameters can be utilized to identify which trees of orders seven and eight are RNA-like in structure. Results The statistical analysis shows that the domination based parameters correctly distinguish between the trees that represent native structures and those that are not likely candidates to represent RNA. Some of the trees previously identified as candidate structures are found to be "very" RNA like, while others are not, thereby refining the space of structures likely to be found as representing secondary RNA structure. Conclusion Search algorithms are available that mine nucleotide sequence databases. However, the number of motifs identified can be quite large, making a further search for similar motif computationally difficult. Much of the work in the bioinformatics arena is toward the development of better algorithms to address the computational problem. This work, on the other hand, uses mathematical descriptors to more clearly characterize the RNA motifs and thereby reduce the corresponding search space. These

  17. Assessing local structure motifs using order parameters for motif recognition, interstitial identification, and diffusion path characterization

    Science.gov (United States)

    Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav; Haranczyk, Maciej

    2017-11-01

    Structure-property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal closed packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

  18. N-terminal aliphatic residues dictate the structure, stability, assembly, and small molecule binding of the coiled-coil region of cartilage oligomeric matrix protein.

    Science.gov (United States)

    Gunasekar, Susheel K; Asnani, Mukta; Limbad, Chandani; Haghpanah, Jennifer S; Hom, Wendy; Barra, Hanna; Nanda, Soumya; Lu, Min; Montclare, Jin Kim

    2009-09-15

    The coiled-coil domain of cartilage oligomeric matrix protein (COMPcc) assembles into a homopentamer that naturally recognizes the small molecule 1,25-dihydroxyvitamin D(3) (vit D). To identify the residues critical for the structure, stability, oligomerization, and binding to vit D as well as two other small molecules, all-trans-retinol (ATR) and curcumin (CCM), here we perform an alanine scanning mutagenesis study. Ten residues lining the hydrophobic pocket of COMPcc were mutated into alanine; of the mutated residues, the N-terminal aliphatic residues L37, L44, V47, and L51 are responsible for maintaining the structure and function. Furthermore, two polar residues, T40 and Q54, within the N-terminal region when converted into alanine improve the alpha-helical structure, stability, and self-assembly behavior. Helical stability, oligomerization, and binding appear to be linked in a manner in which mutations that abolish helical structure and assembly bind poorly to vit D, ATR, and CCM. These results provide not only insight into COMPcc and its functional role but also useful guidelines for the design of stable, pentameric coiled-coils capable of selectively storing and delivering various small molecules.

  19. Effect of textiles structural parameters on surgical healing; a case study

    Science.gov (United States)

    Marwa, A. Ali

    2017-10-01

    Medical Textiles is one of the most rapidly expanding sectors in the technical textile market. The huge growth of medical textiles applications was over the last 12 years. “Biomedical Textiles” is a subcategory of medical textiles that narrows the field down to those applications that are intended for active tissue contact, tissue regeneration or surgical implantation. Since the mid-1960s, the current wave of usage is coming as a result of new fibers and new technologies for textile materials construction. “Biotextiles” term include structures composed of textile fibers designed for use in specific biological environments. Medical Textile field was utilizing different materials, textile techniques and structures to provide new medical products with high functionality in the markets. There are other processes that are associated with textiles in terms of the various treatments and finishing. The aim of this article is to draw attention to the medical field in each of Vitro and Vivo trend, and its relation with textile structural parameters, with regard to the fiber material, production techniques, and fabric structures. Also, it is focusing on some cases studies which were applied in our research which produced with different textile parameters. Finally; an overview is presented about modern and innovative applications of the medical textiles.

  20. Determination of the Nonlinearity Parameter in the TNM Model of Structural Recovery

    Science.gov (United States)

    Bari, Rozana; Simon, Sindee

    Structural recovery of non-equilibrium glassy materials takes place by evolution of volume and enthalpy as the glass attempts to reach to equilibrium. Structural recovery is nonlinear, nonexponential, and depends on thermal history and the process can be described by phenomenological models of structural recovery, such as the Tool-Narayanaswamy-Moynihan (TNM) and the Kovacs-Aklonis-Hutchinson-Ramos (KAHR) models. The goal of the present work is to analyze methods to determine the nonlinearity parameter x and activation energy Δh/R. The methods to determine x includes the inflectional analysis, time-temperature superposition, and two-step temperature jump methods. The activation energy Δh/R can also be obtained by the first two methods. The TNM model is used to simulate structural recovery data, which are then used to test the accuracy of the methods to determine x and Δh/R, with a particular interest in data obtained after cooling at high rates as can be obtained in the Flash DSC. The nonlinearity parameter x by the inflectional analysis and two-step temperature methods are accurate for exponential recovery. However, for real systems with nonexponential relaxation, methods to determine x are not reliable. The activation energy is well estimated by both the time-temperature superposition and inflectional analysis methods, with the former being slightly better.

  1. Estimating material parameters of a structurally based constitutive relation for skin mechanics

    KAUST Repository

    Jor, Jessica W. Y.

    2010-11-25

    This paper presents a structurally based modeling framework to characterize the structure-function relation in skin tissues, based upon biaxial tensile experiments performed in vitro on porcine skin. Equi-axial deformations were imposed by stretching circular skin specimens uniformly along twelve directions, and the resultant loads at the membrane attachment points were measured. Displacement fields at each deformation step were tracked using an image 2D cross-correlation technique. A modeling framework was developed to simulate the experiments, whereby measured forces were applied to finite element models that were created to represent the geometry and structure of the tissue samples. Parameters of a structurally based constitutive relation were then identified using nonlinear optimization. Results showed that the ground matrix stiffness ranged from 5 to 32 kPa, fiber orientation mean from 2 to 13. from the torso midline, fiber undulation mean from 1.04 to 1.34 and collagen fiber stiffness from 48 to 366 MPa. It was concluded that the objective function was highly sensitive to the mean orientation and that a priori information about fiber orientation mean was important for the reliable identification of constitutive parameters. © Springer-Verlag 2010.

  2. Characterization of the Young's modulus and residual stresses for a sputtered silicon oxynitride film using micro-structures

    International Nuclear Information System (INIS)

    Dong, Jian; Du, Ping; Zhang, Xin

    2013-01-01

    Silicon oxynitride (SiON) is an important material to fabricate micro-electro-mechanical system (MEMS) devices due to its composition-dependent tunability in electronic and mechanical properties. In this work, the SiON film with 41.45% silicon, 32.77% oxygen and 25.78% nitrogen content was deposited by RF magnetron sputtering. Two types of optimized micro-structures including micro-cantilevers and micro-rotating-fingers were designed and fabricated using MEMS surface micromachining technology. The micro-cantilever bending tests were conducted using a nanoindenter to characterize the Young's modulus of the SiON film. Owing to the elimination of the residual stress effect on the micro-cantilever structure, higher accuracy in the Young's modulus was achieved from this technique. With the information of Young's modulus of the film, the residual stresses were characterized from the deflection of the micro-rotating-fingers. This structure was able to locally measure a large range of tensile or compressive residual stresses in a thin film with sufficient sensitivities. The results showed that the Young's modulus of the SiON film was 122 GPa and the residual stresses of the SiON film were 327 MPa in the crystallographic orientation of the wafer and 334 MPa in the direction perpendicular to the crystallographic orientation, both in compression. This work presents a comprehensive methodology to measure the Young's modulus and residual stresses of a thin film with improved accuracy, which is promising for applications in mechanical characterization of MEMS devices. - Highlight: • We measured the Young's modulus and residual stress of SiON film by microstructure. • Micro cantilever structure improved the Young's modulus' measurement accuracy. • We explored the reason for the deviations of residual stress value of SiON film

  3. Finite element modeling to determine thermal residual strain distribution of bonded composite repairs for structural health monitoring design

    Science.gov (United States)

    Baker, Wayne; Jones, Rhys; Davis, Claire; Galea, Stephen C.

    2002-11-01

    The economic implication of fleet upgrades, particularly in Australia with military aircraft such as the F-111 and F/A-18, has led to an increasing reliance on composite repair technology to address fatigue and corrosion-affected aircraft components. The increasing use of such repairs has led to a research effort to develop various in-situ health monitoring systems that may be incorporated with a repair. This paper reports on the development of a theoretical methodology that uses finite element analysis (FEA) to model the strain profiles which optical sensors, on or within the patch, will be exposed to under various operational scenarios, including load and disbond. Numerical techniques are then used to predict the fibre Bragg grating (FBG) reflections which occur with these strain profiles. The quality of these reflection are a key consideration when designing FBG based structural health monitoring (SHM) systems. This information can be used to optimise the location of both surface mounted, and embedded sensors, and determine feasibility of SHM system design. Research was conducted into the thermal residual strain (TRS) within the patch. A finite element study revealed the presence of significant thermal residual strain gradients along the surface of the tapered region of the patch. As Bragg gratings are particularly sensitive to strain gradients, (producing a result similar to a chirped grating) the strain gradient on the composite at potential sensor locations both under load, and in the event of disbond was considered. A sufficiently high gradient leads to an altered Bragg reflection. These spurious reflections need to be considered, and theoretically obtained reflections can provide information to allow for load scenarios where the Bragg shift is not a smooth, well defined peak. It can also be shown that embedded fibres offer a higher average thermal residual strain reading, while being subject to a much lower strain gradient. This particularly favors the

  4. Effects of residual hydrogen in sputtering atmosphere on structures and properties of amorphous In-Ga-Zn-O thin films

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Haochun; Ishikawa, Kyohei; Ide, Keisuke [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Hiramatsu, Hidenori; Hosono, Hideo; Kamiya, Toshio, E-mail: kamiya.t.aa@m.titech.ac.jp [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Ueda, Shigenori [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba-city, Ibaraki 305-0047 (Japan); Ohashi, Naoki [Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); National Institute for Materials Science, 1-2-1 Sengen, Tsukuba-city, Ibaraki 305-0047 (Japan); Kumomi, Hideya [Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

    2015-11-28

    We investigated the effects of residual hydrogen in sputtering atmosphere on subgap states and carrier transport in amorphous In-Ga-Zn-O (a-IGZO) using two sputtering systems with different base pressures of ∼10{sup −4} and 10{sup −7 }Pa (standard (STD) and ultrahigh vacuum (UHV) sputtering, respectively), which produce a-IGZO films with impurity hydrogen contents at the orders of 10{sup 20} and 10{sup 19 }cm{sup −3}, respectively. Several subgap states were observed by hard X-ray photoemission spectroscopy, i.e., peak-shape near-valence band maximum (near-VBM) states, shoulder-shape near-VBM states, peak-shape near-conduction band minimum (near-CBM) states, and step-wise near-CBM states. It was confirmed that the formation of these subgap states were affected strongly by the residual hydrogen (possibly H{sub 2}O). The step-wise near-CBM states were observed only in the STD films deposited without O{sub 2} gas flow and attributed to metallic In. Such step-wise near-CBM state was not detected in the other films including the UHV films even deposited without O{sub 2} flow, substantiating that the metallic In is segregated by the strong reduction effect of the hydrogen/H{sub 2}O. Similarly, the density of the near-VBM states was very high for the STD films deposited without O{sub 2}. These films had low film density and are consistent with a model that voids in the amorphous structure form a part of the near-VBM states. On the other hand, the UHV films had high film densities and much less near-VBM states, keeping the possibility that some of the near-VBM states, in particular, of the peak-shape ones, originate from –OH and weakly bonded oxygen. These results indicate that 2% of excess O{sub 2} flow is required for the STD sputtering to compensate the effects of the residual hydrogen/H{sub 2}O. The high-density near-VBM states and the metallic In segregation deteriorated the electron mobility to 0.4 cm{sup 2}/(V s)

  5. PREvaIL, an integrative approach for inferring catalytic residues using sequence, structural, and network features in a machine-learning framework.

    Science.gov (United States)

    Song, Jiangning; Li, Fuyi; Takemoto, Kazuhiro; Haffari, Gholamreza; Akutsu, Tatsuya; Chou, Kuo-Chen; Webb, Geoffrey I

    2018-04-14

    Determining the catalytic residues in an enzyme is critical to our understanding the relationship between protein sequence, structure, function, and enhancing our ability to design novel enzymes and their inhibitors. Although many enzymes have been sequenced, and their primary and tertiary structures determined, experimental methods for enzyme functional characterization lag behind. Because experimental methods used for identifying catalytic residues are resource- and labor-intensive, computational approaches have considerable value and are highly desirable for their ability to complement experimental studies in identifying catalytic residues and helping to bridge the sequence-structure-function gap. In this study, we describe a new computational method called PREvaIL for predicting enzyme catalytic residues. This method was developed by leveraging a comprehensive set of informative features extracted from multiple levels, including sequence, structure, and residue-contact network, in a random forest machine-learning framework. Extensive benchmarking experiments on eight different datasets based on 10-fold cross-validation and independent tests, as well as side-by-side performance comparisons with seven modern sequence- and structure-based methods, showed that PREvaIL achieved competitive predictive performance, with an area under the receiver operating characteristic curve and area under the precision-recall curve ranging from 0.896 to 0.973 and from 0.294 to 0.523, respectively. We demonstrated that this method was able to capture useful signals arising from different levels, leveraging such differential but useful types of features and allowing us to significantly improve the performance of catalytic residue prediction. We believe that this new method can be utilized as a valuable tool for both understanding the complex sequence-structure-function relationships of proteins and facilitating the characterization of novel enzymes lacking functional annotations

  6. Review of parameters influencing the structural response of a submerged body under cavitation conditions

    International Nuclear Information System (INIS)

    Escaler, X; De La Torre, O; Farhat, M

    2015-01-01

    Submerged structures that operate under extreme flows are prone to suffer large scale cavitation attached to their surfaces. Under such conditions the added mass effects differ from the expected ones in pure liquids. Moreover, the existence of small gaps between the structure and surrounding bodies filled with fluid also influence the dynamic response. A series of experiments and numerical simulations have been carried out with a truncated NACA0009 hydrofoil mounted as a cantilever beam at the LMH-EPFL cavitation tunnel. The three first modes of vibration have been determined and analysed under various hydrodynamic conditions ranging from air and still water to partial cavitation and supercavitation. A remote nonintrusive excitation system with piezoelectric patches has been used for the experiments. The effects of the cavity properties and the lateral gap size on the natural frequencies and mode shapes have been determined. As a result, the significance of several parameters in the design of such structures is discussed. (paper)

  7. Developing Dynamic Digital Image Techniques with Continuous Parameters to Detect Structural Damage

    Directory of Open Access Journals (Sweden)

    Ming-Hsiang Shih

    2013-01-01

    Full Text Available Several earthquakes with strong magnitude occurred globally at various locations, especially the unforgettable tsunami disaster caused by the earthquake in Indonesia and Japan. If the characteristics of structures can be well understood to implement new technology, the damages caused by most natural disasters can be significantly alleviated. In this research, dynamic digital image correlation method for using continuous parameter is applied for developing a low-cost digital image correlation coefficient method with advanced digital cameras and high-speed computers. The experimental study using cantilever test object with defect control confirms that the vibration mode calculated using this proposed method can highly express the defect locations. This proposed method combined with the sensitivity of Inter-Story Drift Mode Shape, IDMS, can also reveal the damage degree of damage structure. These test and analysis results indicate that this proposed method is high enough for applying to achieve the object of real-time online monitoring of structure.

  8. Review of parameters influencing the structural response of a submerged body under cavitation conditions

    Science.gov (United States)

    Escaler, X.; De La Torre, O.; Farhat, M.

    2015-12-01

    Submerged structures that operate under extreme flows are prone to suffer large scale cavitation attached to their surfaces. Under such conditions the added mass effects differ from the expected ones in pure liquids. Moreover, the existence of small gaps between the structure and surrounding bodies filled with fluid also influence the dynamic response. A series of experiments and numerical simulations have been carried out with a truncated NACA0009 hydrofoil mounted as a cantilever beam at the LMH-EPFL cavitation tunnel. The three first modes of vibration have been determined and analysed under various hydrodynamic conditions ranging from air and still water to partial cavitation and supercavitation. A remote nonintrusive excitation system with piezoelectric patches has been used for the experiments. The effects of the cavity properties and the lateral gap size on the natural frequencies and mode shapes have been determined. As a result, the significance of several parameters in the design of such structures is discussed.

  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. Time-varying parameter models for catchments with land use change: the importance of model structure

    Science.gov (United States)

    Pathiraja, Sahani; Anghileri, Daniela; Burlando, Paolo; Sharma, Ashish; Marshall, Lucy; Moradkhani, Hamid

    2018-05-01

    Rapid population and economic growth in Southeast Asia has been accompanied by extensive land use change with consequent impacts on catchment hydrology. Modeling methodologies capable of handling changing land use conditions are therefore becoming ever more important and are receiving increasing attention from hydrologists. A recently developed data-assimilation-based framework that allows model parameters to vary through time in response to signals of change in observations is considered for a medium-sized catchment (2880 km2) in northern Vietnam experiencing substantial but gradual land cover change. We investigate the efficacy of the method as well as the importance of the chosen model structure in ensuring the success of a time-varying parameter method. The method was used with two lumped daily conceptual models (HBV and HyMOD) that gave good-quality streamflow predictions during pre-change conditions. Although both time-varying parameter models gave improved streamflow predictions under changed conditions compared to the time-invariant parameter model, persistent biases for low flows were apparent in the HyMOD case. It was found that HyMOD was not suited to representing the modified baseflow conditions, resulting in extreme and unrealistic time-varying parameter estimates. This work shows that the chosen model can be critical for ensuring the time-varying parameter framework successfully models streamflow under changing land cover conditions. It can also be used to determine whether land cover changes (and not just meteorological factors) contribute to the observed hydrologic changes in retrospective studies where the lack of a paired control catchment precludes such an assessment.

  13. Time-varying parameter models for catchments with land use change: the importance of model structure

    Directory of Open Access Journals (Sweden)

    S. Pathiraja

    2018-05-01

    Full Text Available Rapid population and economic growth in Southeast Asia has been accompanied by extensive land use change with consequent impacts on catchment hydrology. Modeling methodologies capable of handling changing land use conditions are therefore becoming ever more important and are receiving increasing attention from hydrologists. A recently developed data-assimilation-based framework that allows model parameters to vary through time in response to signals of change in observations is considered for a medium-sized catchment (2880 km2 in northern Vietnam experiencing substantial but gradual land cover change. We investigate the efficacy of the method as well as the importance of the chosen model structure in ensuring the success of a time-varying parameter method. The method was used with two lumped daily conceptual models (HBV and HyMOD that gave good-quality streamflow predictions during pre-change conditions. Although both time-varying parameter models gave improved streamflow predictions under changed conditions compared to the time-invariant parameter model, persistent biases for low flows were apparent in the HyMOD case. It was found that HyMOD was not suited to representing the modified baseflow conditions, resulting in extreme and unrealistic time-varying parameter estimates. This work shows that the chosen model can be critical for ensuring the time-varying parameter framework successfully models streamflow under changing land cover conditions. It can also be used to determine whether land cover changes (and not just meteorological factors contribute to the observed hydrologic changes in retrospective studies where the lack of a paired control catchment precludes such an assessment.

  14. Assessing composition and structure of soft biphasic media from Kelvin-Voigt fractional derivative model parameters

    Science.gov (United States)

    Zhang, Hongmei; Wang, Yue; Fatemi, Mostafa; Insana, Michael F.

    2017-03-01

    Kelvin-Voigt fractional derivative (KVFD) model parameters have been used to describe viscoelastic properties of soft tissues. However, translating model parameters into a concise set of intrinsic mechanical properties related to tissue composition and structure remains challenging. This paper begins by exploring these relationships using a biphasic emulsion materials with known composition. Mechanical properties are measured by analyzing data from two indentation techniques—ramp-stress relaxation and load-unload hysteresis tests. Material composition is predictably correlated with viscoelastic model parameters. Model parameters estimated from the tests reveal that elastic modulus E 0 closely approximates the shear modulus for pure gelatin. Fractional-order parameter α and time constant τ vary monotonically with the volume fraction of the material’s fluid component. α characterizes medium fluidity and the rate of energy dissipation, and τ is a viscous time constant. Numerical simulations suggest that the viscous coefficient η is proportional to the energy lost during quasi-static force-displacement cycles, E A . The slope of E A versus η is determined by α and the applied indentation ramp time T r. Experimental measurements from phantom and ex vivo liver data show close agreement with theoretical predictions of the η -{{E}A} relation. The relative error is less than 20% for emulsions 22% for liver. We find that KVFD model parameters form a concise features space for biphasic medium characterization that described time-varying mechanical properties. The experimental work was carried out at the Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA. Methodological development, including numerical simulation and all data analysis, were carried out at the school of Life Science and Technology, Xi’an JiaoTong University, 710049, China.

  15. Understanding Which Residues of the Active Site and Loop Structure of a Tyrosine Aminomutase Define Its Mutase and Lyase Activities.

    Science.gov (United States)

    Attanayake, Gayanthi; Walter, Tyler; Walker, Kevin D

    2018-05-30

    Site-directed mutations and substrate analogues were used to gain insights into the branch-point reaction of the 3,5-dihydro-5-methylidene-4 H-imidazol-4-one (MIO)-tyrosine aminomutase from Oryza sativa ( OsTAM). Exchanging the active residues of OsTAM (Y125C/N446K) for those in a phenylalanine aminomutase TcPAM altered its substrate specificity from tyrosine to phenylalanine. The aminomutase mechanism of OsTAM surprisingly changed almost exclusively to that of an ammonia lyase making cinnamic acid (>95%) over β-phenylalanine [Walter, T., et al. (2016) Biochemistry 55, 3497-3503]. We hypothesized that the missing electronics or sterics on the aryl ring of the phenylalanine substrate, compared with the sizable electron-donating hydroxyl of the natural tyrosine substrate, influenced the unexpected lyase reactivity of the OsTAM mutant. The double mutant was incubated with 16 α-phenylalanine substituent analogues of varying electronic strengths and sterics. The mutant converted each analogue principally to its acrylate with ∼50% conversion of the p-Br substrate, making only a small amount of the β-amino acid. The inner loop structure over the entrance to the active site was also mutated to assess how the lyase and mutase activities are affected. An OsTAM loop mutant, matching the loop residues of TcPAM, still chiefly made >95% of the acrylate from each substrate. A combined active site:loop mutant was most reactive but remained a lyase, making 10-fold more acrylates than other mutants did. While mutations within the active site changed the substrate specificity of OsTAM, continued exploration is needed to fully understand the interplay among the inner loop, the substrate, and the active site in defining the mutase and lyase activities.

  16. Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

    Directory of Open Access Journals (Sweden)

    Nils E. R. Zimmermann

    2017-11-01

    Full Text Available Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP database (61,422 compounds for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

  17. Microarchitecture Parameters Describe Bone Structure and Its Strength Better Than BMD

    Directory of Open Access Journals (Sweden)

    Tomasz Topoliński

    2012-01-01

    Full Text Available Introduction and Hypothesis. Some papers have shown that bone mineral density (BMD may not be accurate in predicting fracture risk. Recently microarchitecture parameters have been reported to give information on bone characteristics. The aim of this study was to find out if the values of volume, fractal dimension, and bone mineral density are correlated with bone strength. Methods. Forty-two human bone samples harvested during total hip replacement surgery were cut to cylindrical samples. The geometrical mesh of layers of bone mass obtained from microCT investigation and the volumes of each layer and fractal dimension were calculated. The finite element method was applied to calculate the compression force F causing ε=0.8% strain. Results. There were stronger correlations for microarchitecture parameters with strength than those for bone mineral density. The values of determination coefficient R2 for mean volume and force were 0.88 and 0.90 for mean fractal dimension and force, while for BMD and force the value was 0.53. The samples with bigger mean bone volume of layers and bigger mean fractal dimension of layers (more complex structure presented higher strength. Conclusion. The volumetric and fractal dimension parameters better describe bone structure and strength than BMD.

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

    International Nuclear Information System (INIS)

    Wei Yufeng; Werner, Milton H.

    2006-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-10-15

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

  20. Use of residues proceeding from marbles and granites finishing and manufacturing processes as raw material for structural ceramic

    International Nuclear Information System (INIS)

    Mello, Roberta Monteiro de

    2006-01-01

    In order to decrease environmental impact, caused by mud discarding and clay extraction in the ceramic industry, it was used residual mud from marble and granite companies for structural ceramic. Samples were collected in twelve different marble companies located at the metropolitan region of Sao Paulo. However, only four samples were selected, based on its different characteristics. Clay stone was the raw material chosen to prepare the structural ceramic, considering its high use in this segment. Samples and clay stone were both analysed by the following procedures: granulometric analysis, x-rays fluorescent chemical analysis and x-rays diffraction mineralogical analysis, besides, tests in the samples were conducted following NBR 10004 standards. Once raw materials were characterized, the plasticity test was conducted. Test specimen were molded with different levels of mud, then burned and submitted to technological tests, such as: mechanical resistance, water absorption, porosity, specific gravity and retraction, material dilation before burning process and scanning electron microscopy. The final results have shown the viability of using this kind of mud, and pointed some advantages on its usage, but taking in consideration some previous conditions to be adopted. (author)

  1. Effects of high-speed homogenization and high-pressure homogenization on structure of tomato residue fibers.

    Science.gov (United States)

    Hua, Xiao; Xu, Shanan; Wang, Mingming; Chen, Ying; Yang, Hui; Yang, Ruijin

    2017-10-01

    Tomato residue fibers obtained after derosination and deproteinization were processed by high-speed homogenization (HSH) and high-pressure homogenization (HPH), and their effects on fiber structure was investigated, respectively. Characterizations including particle size distribution, SEM, TEM and XRD were performed. HSH could break raw fibers to small particles of around 60μm, while HPH could reshape fibers to build network structure. Microfibrils were released and their nanostructure consisting of elementary fibrils was observed by TEM. XRD patterns indicated both HSH and HPH could hardly alter the nanostructure of the fibers. Physicochemical properties including expansibility, WHC and OHC were determined. Both HSH and HPH could increase the soluble fiber content by about 8%, but HSH-HPH combined processing did not show better result. Acid (4mol/L HCl) was used in replacement of water medium and the acidic degradation of fibers could be promoted by high speed shearing or high pressure processing. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. A Hilbert transform method for parameter identification of time-varying structures with observer techniques

    International Nuclear Information System (INIS)

    Wang, Zuo-Cai; Ren, Wei-Xin; Chen, Gen-Da

    2012-01-01

    This paper presents a recursive Hilbert transform method for the time-varying property identification of large-scale shear-type buildings with limited sensor deployments. An observer technique is introduced to estimate the building responses from limited available measurements. For an n-story shear-type building with l measurements (l ≤ n), the responses of other stories without measurements can be estimated based on the first r mode shapes (r ≤ l) as-built conditions and l measurements. Both the measured responses and evaluated responses and their Hilbert transforms are then used to track any variation of structural parameters of a multi-story building over time. Given floor masses, both the stiffness and damping coefficients of the building are identified one-by-one from the top to the bottom story. When variations of parameters are detected, a new developed branch-and-bound technique can be used to update the first r mode shapes with the identified parameters. A 60-story shear building with abruptly varying stiffness at different floors is simulated as an example. The numerical results indicate that the proposed method can detect variations of the parameters of large-scale shear-type buildings with limited sensor deployments at appropriate locations. (paper)

  3. Structural observability analysis and EKF based parameter estimation of building heating models

    Directory of Open Access Journals (Sweden)

    D.W.U. Perera

    2016-07-01

    Full Text Available Research for enhanced energy-efficient buildings has been given much recognition in the recent years owing to their high energy consumptions. Increasing energy needs can be precisely controlled by practicing advanced controllers for building Heating, Ventilation, and Air-Conditioning (HVAC systems. Advanced controllers require a mathematical building heating model to operate, and these models need to be accurate and computationally efficient. One main concern associated with such models is the accurate estimation of the unknown model parameters. This paper presents the feasibility of implementing a simplified building heating model and the computation of physical parameters using an off-line approach. Structural observability analysis is conducted using graph-theoretic techniques to analyze the observability of the developed system model. Then Extended Kalman Filter (EKF algorithm is utilized for parameter estimates using the real measurements of a single-zone building. The simulation-based results confirm that even with a simple model, the EKF follows the state variables accurately. The predicted parameters vary depending on the inputs and disturbances.

  4. 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.

  5. Excitation of magnetic inhomogeneities in three-layer ferromagnetic structure with different parameters of the magnetic anisotropy and exchange

    Energy Technology Data Exchange (ETDEWEB)

    Ekomasov, E.G., E-mail: EkomasovEG@gmail.com [Bashkir State University, 32, Validy Str., Ufa, 450076 (Russian Federation); Murtazin, R.R. [Bashkir State University, 32, Validy Str., Ufa, 450076 (Russian Federation); Nazarov, V.N. [Institute of Molecule and Crystal Physics Ufa Research Centre of Russian Academy of Sciences, Prospekt Oktyabrya 151, Ufa, 450075 (Russian Federation)

    2015-07-01

    The generation and evolution of magnetic inhomogeneities, emerging in a thin flat layer with the parameters of the magnetic anisotropy and exchange interaction, with the parameters different from other two thick layers of the three-layer ferromagnetic structure, were investigated. The parameters ranges that determine the possibility of their existence were found. The possibility of the external magnetic field influence on the structure and dynamic properties of localized magnetic inhomogeneities was shown. - Highlights: • The generation of magnetic inhomogeneities in the three-layer ferromagnetic. • The influence of an external field on the parameters of magnetic inhomogeneities. • Numerical study of the structure and dynamics of magnetic inhomogeneities.

  6. 1H CSA parameters by ultrafast MAS NMR: Measurement and applications to structure refinement.

    Science.gov (United States)

    Miah, Habeeba K; Cresswell, Rosalie; Iuga, Dinu; Titman, Jeremy J

    2017-10-01

    A 1 H anisotropic-isotropic chemical shift correlation experiment which employs symmetry-based recoupling sequences to reintroduce the chemical shift anisotropy in ν 1 and ultrafast MAS to resolve 1 H sites in ν 2 is described. This experiment is used to measure 1 H shift parameters for L-ascorbic acid, a compound with a relatively complex hydrogen-bonding network in the solid. The 1 H CSAs of hydrogen-bonded sites with resolved isotropic shifts can be extracted directly from the recoupled lineshapes. In combination with DFT calculations, hydrogen positions in crystal structures obtained from X-ray and neutron diffraction are refined by comparison with simulations of the full two-dimensional NMR spectrum. The improved resolution afforded by the second dimension allows even unresolved hydrogen-bonded sites 1 H to be assigned and their shift parameters to be obtained. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. Effect of Processing Parameters on Thickness of Columnar Structured Silicon Wafers Directly Grown from Silicon Melts

    Directory of Open Access Journals (Sweden)

    Jin-Seok Lee

    2012-01-01

    Full Text Available In order to obtain optimum growth conditions for desired thickness and more effective silicon feedstock usage, effects of processing parameters such as preheated substrate temperatures, time intervals, moving velocity of substrates, and Ar gas blowing rates on silicon ribbon thickness were investigated in the horizontal growth process. Most of the parameters strongly affected in the control of ribbon thickness with columnar grain structure depended on the solidification rate. The thickness of the silicon ribbon decreased with an increasing substrate temperature, decreasing time interval, and increasing moving velocity of the substrate. However, the blowing of Ar gas onto a liquid layer existing on the surface of solidified ribbon contributed to achieving smooth surface roughness but did not closely affect the change of ribbon thickness in the case of a blowing rate of ≥0.65 Nm3/h because the thickness of the solidified layer was already determined by the exit height of the reservoir.

  8. Prediction of the Dynamic Yield Strength of Metals Using Two Structural-Temporal Parameters

    Science.gov (United States)

    Selyutina, N. S.; Petrov, Yu. V.

    2018-02-01

    The behavior of the yield strength of steel and a number of aluminum alloys is investigated in a wide range of strain rates, based on the incubation time criterion of yield and the empirical models of Johnson-Cook and Cowper-Symonds. In this paper, expressions for the parameters of the empirical models are derived through the characteristics of the incubation time criterion; a satisfactory agreement of these data and experimental results is obtained. The parameters of the empirical models can depend on some strain rate. The independence of the characteristics of the incubation time criterion of yield from the loading history and their connection with the structural and temporal features of the plastic deformation process give advantage of the approach based on the concept of incubation time with respect to empirical models and an effective and convenient equation for determining the yield strength in a wider range of strain rates.

  9. Study of an effective structural system with rational parameters based on main energy principles

    Directory of Open Access Journals (Sweden)

    Toporkova Katerina

    2017-01-01

    Full Text Available The effective architectural and construction system with rational parameters based on main energy principles applied to construction of buildings and constructions with a small-step and large-step frames, representing the metal frame of full factory production collected in spatial system on high-strength bolts and previously strained combined prestressed concrete slabs which formed without timbering is proposed in this paper. The main constructive and technological features of the proposed frame, which allows reducing construction period, increasing working efficiency, and reducing labor intensity by using factory-made materials, quick erection of all process elements through the use of highstrength bolts is considered. The advantages of this constructive system in comparison with alternative systems are shown. The basic concepts of "rational decisions" to the design, namely, the objective of the optimal management of the structure parameters, which can not only improve its basic performance indicators, but also, and most importantly, improve operational reliability, is presented.

  10. A Novel Coupled State/Input/Parameter Identification Method for Linear Structural Systems

    Directory of Open Access Journals (Sweden)

    Zhimin Wan

    2018-01-01

    Full Text Available In many engineering applications, unknown states, inputs, and parameters exist in the structures. However, most methods require one or two of these variables to be known in order to identify the other(s. Recently, the authors have proposed a method called EGDF for coupled state/input/parameter identification for nonlinear system in state space. However, the EGDF method based solely on acceleration measurements is found to be unstable, which can cause the drift of the identified inputs and displacements. Although some regularization methods can be adopted for solving the problem, they are not suitable for joint input-state identification in real time. In this paper, a strategy of data fusion of displacement and acceleration measurements is used to avoid the low-frequency drift in the identified inputs and structural displacements for linear structural systems. Two numerical examples about a plane truss and a single-stage isolation system are conducted to verify the effectiveness of the proposed modified EGDF algorithm.

  11. 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.

  12. Effect of residual gas on structural, electrical and mechanical properties of niobium films deposited by magnetron sputtering deposition

    Science.gov (United States)

    Wang, Lanruo; Zhong, Yuan; Li, Jinjin; Cao, Wenhui; Zhong, Qing; Wang, Xueshen; Li, Xu

    2018-04-01

    Magnetron sputtering is an important method in the superconducting thin films deposition. The residual gas inside the vacuum chamber will directly affect the quality of the superconducting films. In this paper, niobium films are deposited by magnetron sputtering under different chamber residual gas conditions. The influence of baking and sputtering process on residual gas are studied as well. Surface morphology, electrical and mechanical properties of the films are analysed. The residual gas analysis result before the sputtering process could be regarded as a reference condition to achieve high quality superconducting thin films.

  13. Estimating Rheological Parameters of Anhydrite from Folded Evaporite sequences: Implications for Internal Dynamics of Salt Structure

    Science.gov (United States)

    Adamuszek, Marta; Dabrowski, Marcin; Schmalholz, Stefan M.; Urai, Janos L.; Raith, Alexander

    2015-04-01

    Salt structures have been identified as a potential target for hydrocarbon, CO2, or radioactive waste storage. The most suitable locations for magazines are considered in the thick and relatively homogeneous rock salt layers. However, salt structures often consist of the evaporite sequence including rock salt intercalated with other rock types e.g.: anhydrite, gypsum, potassium and magnesium salt, calcite, dolomite, or shale. The presence of such heterogeneities causes a serious disturbance in the structure management. Detailed analysis of the internal architecture and internal dynamics of the salt structure are crucial for evaluating them as suitable repositories and also their long-term stability. The goal of this study is to analyse the influence of the presence of anhydrite layers on the internal dynamics of salt structures. Anhydrite is a common rock in evaporite sequences. Its physical and mechanical properties strongly differ from the properties of rock salt. The density of anhydrite is much higher than the density of salt, thus anhydrite is likely to sink in salt causing the disturbance of the surrounding structures. This suggestion was the starting point to the discussion about the long-term stability of the magazines in salt structures [1]. However, the other important parameter that has to be taken into account is the viscosity of anhydrite. The high viscosity ratio between salt and anhydrite can restrain the layer from sinking. The rheological behaviour of anhydrite has been studied in laboratory experiments [2], but the results only provide information about the short-term behaviour. The long-term behaviour can be best predicted using indirect methods e.g. based on the analysis of natural structures that developed over geological time scale. One of the most promising are fold structures, the shape of which is very sensitive to the rheological parameters of the deforming materials. Folds can develop in mechanically stratified materials during layer

  14. Comparison of segmentation techniques to determine the geometric parameters of structured surfaces

    International Nuclear Information System (INIS)

    MacAulay, Gavin D; Giusca, Claudiu L; Leach, Richard K; Senin, Nicola

    2014-01-01

    Structured surfaces, defined as surfaces characterized by topography features whose shape is defined by design specifications, are increasingly being used in industry for a variety of applications, including improving the tribological properties of surfaces. However, characterization of such surfaces still remains an issue. Techniques have been recently proposed, based on identifying and extracting the relevant features from a structured surface so they can be verified individually, using methods derived from those commonly applied to standard-sized parts. Such emerging approaches show promise but are generally complex and characterized by multiple data processing steps making performance difficult to assess. This paper focuses on the segmentation step, i.e. partitioning the topography so that the relevant features can be separated from the background. Segmentation is key for defining the geometric boundaries of the individual feature, which in turn affects any computation of feature size, shape and localization. This paper investigates the effect of varying the segmentation algorithm and its controlling parameters by considering a test case: a structured surface for bearing applications, the relevant features being micro-dimples designed for friction reduction. In particular, the mechanisms through which segmentation leads to identification of the dimple boundary and influences dimensional properties, such as dimple diameter and depth, are illustrated. It is shown that, by using different methods and control parameters, a significant range of measurement results can be achieved, which may not necessarily agree. Indications on how to investigate the influence of each specific choice are given; in particular, stability of the algorithms with respect to control parameters is analyzed as a means to investigate ease of calibration and flexibility to adapt to specific, application-dependent characterization requirements. (paper)

  15. Impact of water temperature and structural parameters on the hydraulic labyrinth-channel emitter performance

    Directory of Open Access Journals (Sweden)

    Ahmed I. Al-Amoud

    2014-06-01

    Full Text Available The effects of water temperature and structural parameters of a labyrinth emitter on drip irrigation hydraulic performance were investigated. The inside structural parameters of the trapezoidal labyrinth emitter include path width (W and length (L, trapezoidal unit numbers (N, height (H, and spacing (S. Laboratory experiments were conducted using five different types of labyrinth-channel emitters (three non-pressure compensating and two pressure-compensating emitters commonly used for subsurface drip irrigation systems. The water temperature effect on the hydraulic characteristics at various operating pressures was recorded and a comparison was made to identify the most effective structural parameter on emitter performance. The pressure compensating emitter flow exponent (x average was 0.014, while non-pressure compensating emitter’s values average was 0.456, indicating that the sensitivity of non-pressure compensating emitters to pressure variation is an obvious characteristic (p<0.001 of this type of emitters. The effects of water temperature on emitter flow rate were insignificant (p>0.05 at various operating pressures, where the flow rate index values for emitters were around one. The effects of water temperature on manufacturer’s coefficient of variation (CV values for all emitters were insignificant (p>0.05. The CV values of the non-pressure compensating emitters were lower than those of pressure compensating emitters. This is typical for most compensating models because they are manufactured with more elements than non-compensating emitters are. The results of regression analysis indicate that N and H are the essential factors (p<0.001 to affect the hydraulic performance.

  16. Study of ion plating parameters, coating structure, and corrosion protection for aluminum coatings on uranium

    International Nuclear Information System (INIS)

    Egert, C.M.; Scott, D.G.

    1987-01-01

    A study of ion-plating parameters (primarily deposition rate and substrate bias voltage), coating structure, and the corrosion protection provided by aluminum coatings on uranium is presented. Ion plating at low temperatures yields a variety of aluminum coating structures on uranium. For example, aluminum coatings produced at high deposition rates and low substrate bias voltages are columnar with voids between columns, as expected for high-rate vapor deposition at low temperatures. On the other hand, low deposition rate and high bias voltage produce a modified coating with a dense, noncolumnar structure. These results are not in agreement with other studies that have found no relationship between deposition rate and coating structure in ion plating. This discrepancy is probably due to the high deposition rates used in these studies. An accelerated, water vapor corrosion test indicates that the columnar aluminum coatings provide some corrosion protection despite their porous nature; however, the dense noncolumnar coatings provide significantly greater protection. These results indicate that ion-plated aluminum coatings produced at low deposition rates and high substrate bias voltages creates dense coating structures that are most effective in protecting uranium from corrosion

  17. Parameter studies to determine sensitivity of slug impact loads to properties of core surrounding structures

    International Nuclear Information System (INIS)

    Gvildys, J.

    1985-01-01

    A sensitivity study of the HCDA slug impact response of fast reactor primary containment to properties of core surrounding structures was performed. Parameters such as the strength of the radial shield material, mass, void, and compressibility properties of the gas plenum material, mass of core material, and mass and compressibility properties of the coolant were used as variables to determine the magnitude of the slug impact loads. The response of the reactor primary containment and the partition of energy were also given. A study was also performed using water as coolant to study the difference in slug impact loads

  18. Impact of structural parameters on the radon exhalation of building materials: Preliminary study

    International Nuclear Information System (INIS)

    Roelofs, L.M.M.

    1993-01-01

    Samples of mortar and sand-lime pieces with different percentages of fly ash are hardened at different relative humidities. The porosity distribution, the moisture and the radon exhalation of these samples are determined. Based on the data of the above-mentioned analyses, the thickness of the adsorbed water layer in the water-filled pores is estimated. The correlation between the structural parameters and the radon exhalation is investigated. If the radon exhalation process can be modelled, the radiation risk of applying fly ash in building materials can be controlled or reduced. The results do not yet show a clear indication. The applied methods have to be considered in more detail

  19. Calculation of the electronic structure and contact hyperfine parameters of interstitial hydrogen in alkaline - earth fluorides

    International Nuclear Information System (INIS)

    Oliveira, L.E.M.C. de.

    1976-01-01

    The electronic structure of the interstitial hydrogen atom in alkaline-earth fluorides has been studied using the self-consistent-field multiple-scattering Xα method. In the calculations a cluster constituted by the hydrogen atom and its first anion and cation neighbors has been used. The contact parameters with the proton and the fluorine nuclei have been evaluated. The agreement obtained with the experimental results is in general good and indicates that this method is also appropriate to study defects in ionic crystals. (author) [pt

  20. Comprehensive Wavelengths, Energy Levels, and Hyperfine Structure Parameters of Singly-Ionized Iron-Group Elements

    Science.gov (United States)

    Nave, Gillian

    We propose to measure wavelengths, energy levels, and hyperfine structure parameters of Ni II, Mn II, Sc II and other singly-ionized iron-group elements, covering the wavelength range 80 nm to 5500 nm. We shall use archival data from spectrometers at NIST and Kitt Peak National Observatory for spectra above 140 nm. Additional experimental observations will be taken if needed using Fourier transform spectrometers at NIST. Spectra will be taken using our normal incidence grating spectrograph to provide better sensitivity than the FT spectra and to extend the wavelength range down to 80 nm. We aim to produce a comprehensive description of the spectra of all singly-ionized iron- group elements. The wavelength uncertainty of the strong lines will be better than 1 part in 10^7. For most singly-ionized iron-group elements available laboratory data have uncertainties an order of magnitude larger than astronomical observations over wide spectra ranges. Some of these laboratory measurements date back to the 1960's. Since then, Fourier transform spectroscopy has made significant progress in improving the accuracy and quantity of data in the UV-vis-IR region, but high quality Fourier transform spectra are still needed for Mn II, Ni II and Sc II. Fourier transform spectroscopy has low sensitivity in the VUV region and is limited to wavelengths above 140 nm. Spectra measured with high-resolution grating spectrographs are needed in this region in order to obtain laboratory data of comparable quality to the STIS and COS spectrographs on the Hubble Space Telescope. Currently, such data exist only for Fe II and Cr II. Lines of Sc II, V II, and Mn II show hyperfine structure, but hyperfine structure parameters have been measured for relatively few lines of these elements. Significant errors can occur if hyperfine structure is neglected when abundances are determined from stellar spectra. Measurements of hyperfine structure parameters will be made using Fourier transform spectroscopy

  1. A 3D Image Filter for Parameter-Free Segmentation of Macromolecular Structures from Electron Tomograms

    Science.gov (United States)

    Ali, Rubbiya A.; Landsberg, Michael J.; Knauth, Emily; Morgan, Garry P.; Marsh, Brad J.; Hankamer, Ben

    2012-01-01

    3D image reconstruction of large cellular volumes by electron tomography (ET) at high (≤5 nm) resolution can now routinely resolve organellar and compartmental membrane structures, protein coats, cytoskeletal filaments, and macromolecules. However, current image analysis methods for identifying in situ macromolecular structures within the crowded 3D ultrastructural landscape of a cell remain labor-intensive, time-consuming, and prone to user-bias and/or error. This paper demonstrates the development and application of a parameter-free, 3D implementation of the bilateral edge-detection (BLE) algorithm for the rapid and accurate segmentation of cellular tomograms. The performance of the 3D BLE filter has been tested on a range of synthetic and real biological data sets and validated against current leading filters—the pseudo 3D recursive and Canny filters. The performance of the 3D BLE filter was found to be comparable to or better than that of both the 3D recursive and Canny filters while offering the significant advantage that it requires no parameter input or optimisation. Edge widths as little as 2 pixels are reproducibly detected with signal intensity and grey scale values as low as 0.72% above the mean of the background noise. The 3D BLE thus provides an efficient method for the automated segmentation of complex cellular structures across multiple scales for further downstream processing, such as cellular annotation and sub-tomogram averaging, and provides a valuable tool for the accurate and high-throughput identification and annotation of 3D structural complexity at the subcellular level, as well as for mapping the spatial and temporal rearrangement of macromolecular assemblies in situ within cellular tomograms. PMID:22479430

  2. Design Optimization of Structural Parameters for Highly Sensitive Photonic Crystal Label-Free Biosensors

    Directory of Open Access Journals (Sweden)

    Yun-ah Han

    2013-03-01

    Full Text Available The effects of structural design parameters on the performance of nano-replicated photonic crystal (PC label-free biosensors were examined by the analysis of simulated reflection spectra of PC structures. The grating pitch, duty, scaled grating height and scaled TiO2 layer thickness were selected as the design factors to optimize the PC structure. The peak wavelength value (PWV, full width at half maximum of the peak, figure of merit for the bulk and surface sensitivities, and surface/bulk sensitivity ratio were also selected as the responses to optimize the PC label-free biosensor performance. A parametric study showed that the grating pitch was the dominant factor for PWV, and that it had low interaction effects with other scaled design factors. Therefore, we can isolate the effect of grating pitch using scaled design factors. For the design of PC-label free biosensor, one should consider that: (1 the PWV can be measured by the reflection peak measurement instruments, (2 the grating pitch and duty can be manufactured using conventional lithography systems, and (3 the optimum design is less sensitive to the grating height and TiO2 layer thickness variations in the fabrication process. In this paper, we suggested a design guide for highly sensitive PC biosensor in which one select the grating pitch and duty based on the limitations of the lithography and measurement system, and conduct a multi objective optimization of the grating height and TiO2 layer thickness for maximizing performance and minimizing the influence of parameter variation. Through multi-objective optimization of a PC structure with a fixed grating height of 550 nm and a duty of 50%, we obtained a surface FOM of 66.18 RIU−1 and an S/B ratio of 34.8%, with a grating height of 117 nm and TiO2 height of 210 nm.

  3. Design optimization of structural parameters for highly sensitive photonic crystal label-free biosensors.

    Science.gov (United States)

    Ju, Jonghyun; Han, Yun-ah; Kim, Seok-min

    2013-03-07

    The effects of structural design parameters on the performance of nano-replicated photonic crystal (PC) label-free biosensors were examined by the analysis of simulated reflection spectra of PC structures. The grating pitch, duty, scaled grating height and scaled TiO2 layer thickness were selected as the design factors to optimize the PC structure. The peak wavelength value (PWV), full width at half maximum of the peak, figure of merit for the bulk and surface sensitivities, and surface/bulk sensitivity ratio were also selected as the responses to optimize the PC label-free biosensor performance. A parametric study showed that the grating pitch was the dominant factor for PWV, and that it had low interaction effects with other scaled design factors. Therefore, we can isolate the effect of grating pitch using scaled design factors. For the design of PC-label free biosensor, one should consider that: (1) the PWV can be measured by the reflection peak measurement instruments, (2) the grating pitch and duty can be manufactured using conventional lithography systems, and (3) the optimum design is less sensitive to the grating height and TiO2 layer thickness variations in the fabrication process. In this paper, we suggested a design guide for highly sensitive PC biosensor in which one select the grating pitch and duty based on the limitations of the lithography and measurement system, and conduct a multi objective optimization of the grating height and TiO2 layer thickness for maximizing performance and minimizing the influence of parameter variation. Through multi-objective optimization of a PC structure with a fixed grating height of 550 nm and a duty of 50%, we obtained a surface FOM of 66.18 RIU-1 and an S/B ratio of 34.8%, with a grating height of 117 nm and TiO2 height of 210 nm.

  4. Solution structure of the 45-residue MgATP-binding peptide of adenylate kinase as examined by 2-D NMR, FTIR, and CD spectroscopy

    International Nuclear Information System (INIS)

    Fry, D.C.; Byler, D.M.; Susi, H.; Brown, M.; Kuby, S.A.; Mildvan, A.S.

    1988-01-01

    The structure of a synthetic peptide corresponding to residues 1-45 of rabbit muscle adenylate kinase has been studied in aqueous solution by two-dimensional NMR, FTIR, and CD spectroscopy. This peptide, which binds MgATP and is believed to represent most of the MgATP-binding site of the enzyme, appears to maintain a conformation similar to that of residues 1-45 in the X-ray structure of intact porcine adenylate kinase, with 42% of the residues of the peptide showing NOEs indicative of phi and psi angles corresponding to those found in the protein. The NMR studies suggest that the peptide is composed of two helical regions of residues 4-7 and 23-29, and three stretches of β-strand at residues 8-15, 30-32, and 35-40, yielding an overall secondary structure consisting of 24% α-helix, 38% β-structure, and 38% aperiodic. Although the resolution-enhanced amide I band of the peptide FTIR spectrum is broad and rather featureless, possible due to disorder, it can be fit by using methods developed on well-characterized globular proteins. The CD spectrum is best fit by assuming the presence of at most 13% α-helix in the peptide, 24 +/- 2% β-structure, and 66 +/- 4% aperiodic. The inability of the high-frequency FTIR and CD methods to detect helices in the amount found by NMR may result from the short helical lengths as well as from static and dynamic disorder in the peptide. Upon binding of MgATP, numerous conformation changes in the backbone of the peptide are detected by NMR, with smaller alterations in the overall secondary structure as assess by CD

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-01-15

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

  6. Parameters of Models of Structural Transformations in Alloy Steel Under Welding Thermal Cycle

    Science.gov (United States)

    Kurkin, A. S.; Makarov, E. L.; Kurkin, A. B.; Rubtsov, D. E.; Rubtsov, M. E.

    2017-05-01

    A mathematical model of structural transformations in an alloy steel under the thermal cycle of multipass welding is suggested for computer implementation. The minimum necessary set of parameters for describing the transformations under heating and cooling is determined. Ferritic-pearlitic, bainitic and martensitic transformations under cooling of a steel are considered. A method for deriving the necessary temperature and time parameters of the model from the chemical composition of the steel is described. Published data are used to derive regression models of the temperature ranges and parameters of transformation kinetics in alloy steels. It is shown that the disadvantages of the active visual methods of analysis of the final phase composition of steels are responsible for inaccuracy and mismatch of published data. The hardness of a specimen, which correlates with some other mechanical properties of the material, is chosen as the most objective and reproducible criterion of the final phase composition. The models developed are checked by a comparative analysis of computational results and experimental data on the hardness of 140 alloy steels after cooling at various rates.

  7. Online measurement for geometrical parameters of wheel set based on structure light and CUDA parallel processing

    Science.gov (United States)

    Wu, Kaihua; Shao, Zhencheng; Chen, Nian; Wang, Wenjie

    2018-01-01

    The wearing degree of the wheel set tread is one of the main factors that influence the safety and stability of running train. Geometrical parameters mainly include flange thickness and flange height. Line structure laser light was projected on the wheel tread surface. The geometrical parameters can be deduced from the profile image. An online image acquisition system was designed based on asynchronous reset of CCD and CUDA parallel processing unit. The image acquisition was fulfilled by hardware interrupt mode. A high efficiency parallel segmentation algorithm based on CUDA was proposed. The algorithm firstly divides the image into smaller squares, and extracts the squares of the target by fusion of k_means and STING clustering image segmentation algorithm. Segmentation time is less than 0.97ms. A considerable acceleration ratio compared with the CPU serial calculation was obtained, which greatly improved the real-time image processing capacity. When wheel set was running in a limited speed, the system placed alone railway line can measure the geometrical parameters automatically. The maximum measuring speed is 120km/h.

  8. Biomechanical and structural parameters of tendons in rats subjected to swimming exercise.

    Science.gov (United States)

    Bezerra, M A; Santos de Lira, K D; Coutinho, M P G; de Mesquita, G N; Novaes, K A; da Silva, R T B; de Brito Nascimento, A K; Inácio Teixeira, M F H B; Moraes, S R A

    2013-12-01

    The aim of this study was to evaluate the effect of swimming exercise, without overloading, on the biomechanical parameters of the calcaneal tendon of rats. 27 male Wistar rats (70 days) were distributed randomly into 2 groups, Control Group (CG; n=15) with restricted movements inside the cage and Swimming Group (SG; n=12), subjected to exercise training in a tank with a water temperature of 30±1°C, for 1 h/day, 5 days/week for 8 weeks. All animals were kept in a reversed light/dark cycle of 12 h with access to food and water ad libitum. After that, they were anesthetized and had their calcaneus tendons collected from their left rear paws. The tendon was submitted to a mechanical test on a conventional test machine. From the stress vs. strain curve, the biomechanical data were analyzed. For the statistical analysis, the Student-T test was used (penergy of deformation/tendon cross sectional area (p=0.017) and elastic modulus of the tendon (p=0.013) showed positive outcomes in SG. There was no difference in the other parameters. The results indicate that the swimming exercise training, without overloading, was an important stimulus for improving the biomechanical parameters and structural properties of the calcaneal tendon. © Georg Thieme Verlag KG Stuttgart · New York.

  9. Kinetic study of the anaerobic biodegradation of alkyl polyglucosides and the influence of their structural parameters.

    Science.gov (United States)

    Ríos, Francisco; Fernández-Arteaga, Alejandro; Lechuga, Manuela; Jurado, Encarnación; Fernández-Serrano, Mercedes

    2016-05-01

    This paper reports a study of the anaerobic biodegradation of non-ionic surfactants alkyl polyglucosides applying the method by measurement of the biogas production in digested sludge. Three alkyl polyglucosides with different length alkyl chain and degree of polymerization of the glucose units were tested. The influence of their structural parameters was evaluated, and the characteristics parameters of the anaerobic biodegradation were determined. Results show that alkyl polyglucosides, at the standard initial concentration of 100 mgC L(-1), are not completely biodegradable in anaerobic conditions because they inhibit the biogas production. The alkyl polyglucoside having the shortest alkyl chain showed the fastest biodegradability and reached the higher percentage of final mineralization. The anaerobic process was well adjusted to a pseudo first-order equation using the carbon produced as gas during the test; also, kinetics parameters and a global rate constant for all the involved metabolic process were determined. This modeling is helpful to evaluate the biodegradation or the persistence of alkyl polyglucosides under anaerobic conditions in the environment and in the wastewater treatment.

  10. ye movement parameters while reading show cognitive processes of structural analysis of written speech

    Directory of Open Access Journals (Sweden)

    Latanov, Alexander V.

    2016-06-01

    Full Text Available This paper gives an overview of the published data on eye movement parameters while reading sentences in different languages with both local and global syntactic ambiguity. A locally ambiguous sentence contains a syntactically problematic phrase that leads to only one interpretation, while a globally ambiguous sentence has more than one distinct interpretation. In the first case the ambiguity persists only to the end of the sentence, when it is successfully resolved; in the second case the ambiguity is still present after reading the whole sentence. The obvious difficulty in analyzing the structure of locally and globally ambiguous sentences leads to increased reading time compared with unambiguous sentences. The syntactic ambiguity increases two major parameters: the fixation duration when reading words critical for interpreting the sentence, and the frequency of regressive saccades to reread those words. The reading time for critical words, disambiguating the local ambiguity, depends on the principle of early/late closure (i.e., high/low attachment: preferring a recurrent pattern to associate the critical word with a distant or closer word, respectively (as determined by its position in the sentence, and differs across languages. The first study of eye movement parameters in reading globally syntactic ambiguous sentences in the Russian language is reported in this paper. Our findings open up the prospects of quantitative studies of syntactic disambiguation in Slavonic and Romano-Germanic languages.

  11. Time-varying effect moderation using the structural nested mean model: estimation using inverse-weighted regression with residuals

    Science.gov (United States)

    Almirall, Daniel; Griffin, Beth Ann; McCaffrey, Daniel F.; Ramchand, Rajeev; Yuen, Robert A.; Murphy, Susan A.

    2014-01-01

    This article considers the problem of examining time-varying causal effect moderation using observational, longitudinal data in which treatment, candidate moderators, and possible confounders are time varying. The structural nested mean model (SNMM) is used to specify the moderated time-varying causal effects of interest in a conditional mean model for a continuous response given time-varying treatments and moderators. We present an easy-to-use estimator of the SNMM that combines an existing regression-with-residuals (RR) approach with an inverse-probability-of-treatment weighting (IPTW) strategy. The RR approach has been shown to identify the moderated time-varying causal effects if the time-varying moderators are also the sole time-varying confounders. The proposed IPTW+RR approach provides estimators of the moderated time-varying causal effects in the SNMM in the presence of an additional, auxiliary set of known and measured time-varying confounders. We use a small simulation experiment to compare IPTW+RR versus the traditional regression approach and to compare small and large sample properties of asymptotic versus bootstrap estimators of the standard errors for the IPTW+RR approach. This article clarifies the distinction between time-varying moderators and time-varying confounders. We illustrate the methodology in a case study to assess if time-varying substance use moderates treatment effects on future substance use. PMID:23873437

  12. Assessment of residual coronal tooth structure postendodontic cavity preparation using digital dental impressions and micro-computed tomography.

    Science.gov (United States)

    Al-Nuaimi, Nassr; Patel, Shanon; Foschi, Federico; Mannocci, Francesco; Austin, Rupert S

    To evaluate the in vitro accuracy of digital impressions for three-dimensional (3D) volumetric measurement of residual coronal tooth structure postendodontic cavity preparation, with reference to micro-computed tomography (μCT). Quantification of the accuracy and precision of the intraoral digital scanner (3M True Definition Scanner - IOS) was performed using a metrology gauge block and a profilometric calibration model. Thirty-four human extracted molars with endodontic access cavities were scanned using both intraoral scanning (test scanner) in high-resolution mode, and µCT (reference scanner: GE Locus SP μCT scanner) in high- (HiResCT) and low- (LoResCT) resolution modes. Comparisons of volumetric accuracy and 3D profilometric deviations were performed using surface metrology software. One-way repeated measures analysis of variance (ANOVA), in combination with the Bonferroni post hoc test, was implemented to compare the differences in volume measurements between scanning methods. Digital scanning revealed smaller volume measurements by 1.36% and 0.68% compared to HiResCT and LoResCT, respectively. There was a statistically significant difference in the volumetric measurements obtained from the IOS scanner and both HiResCT and LoResCT scans (P digital scanner was able to reliably measure the extra- and intracoronal aspect of the endodontically accessed tooth.

  13. Alkali solution extraction of rice residue protein isolates: Influence of alkali concentration on protein functional, structural properties and lysinoalanine formation.

    Science.gov (United States)

    Hou, Furong; Ding, Wenhui; Qu, Wenjuan; Oladejo, Ayobami Olayemi; Xiong, Feng; Zhang, Weiwei; He, Ronghai; Ma, Haile

    2017-03-01

    This study evaluated the nutrient property and safety of the rice residue protein isolates (RRPI) product (extracted by different alkali concentrations) by exploring the protein functional, structural properties and lysinoalanine (LAL) formation. The results showed that with the rising of alkali concentration from 0.03M to 0.15M, the solubility, emulsifying and foaming properties of RRPI increased at first and then descended. When the alkali concentration was greater than 0.03M, the RRPI surface hydrophobicity decreased and the content of thiol and disulfide bond, Lys and Cys significantly reduced. By the analysis of HPLC, the content of LAL rose up from 276.08 to 15,198.07mg/kg and decreased to 1340.98mg/kg crude protein when the alkali concentration increased from 0.03 to 0.09M and until to 0.15M. These results indicated that RRPI alkaline extraction concentration above 0.03M may cause severe nutrient or safety problems of protein. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Petrophysical and transport parameters evolution during acid percolation through structurally different limestones

    Science.gov (United States)

    Martinez Perez, Laura; Luquot, Linda

    2017-04-01

    Processes affecting geological media often show complex and unpredictable behavior due to the presence of heterogeneities. This remains problematic when facing contaminant transport problems, in the CO2 storage industry or dealing with the mechanisms underneath natural processes where chemical reactions can be observed during the percolation of rock non-equilibrated fluid (e.g. karst formation, seawater intrusion). To understand the mechanisms taking place in a porous medium as a result of this water-rock interaction, we need to know the flow parameters that control them, and how they evolve with time as a result of that concurrence. This is fundamental to ensure realistic predictions of the behavior of natural systems in response of reactive transport processes. We investigate the coupled influence of structural and hydrodynamic heterogeneities in limestone rock samples tracking its variations during chemical reactions. To do so we use laboratory petrophysical techniques such as helium porosimetry, gas permeability, centrifugue, electrical resistivity and sonic waves measurements to obtain the parameters that characterize flow within rock matrix (porosity, permeability, retention curve and pore size distribution, electrical conductivity, formation factor, cementation index and tortuosity) before and after percolation experiments. We built an experimental setup that allows injection of acid brine into core samples under well controlled conditions, monitor changes in hydrodynamic properties and obtain the chemical composition of the injected solution at different stages. 3D rock images were also acquired before and after the experiments using a micro-CT to locate the alteration processes and perform an acurate analysis of the structural changes. Two limestones with distinct textural classification and thus contrasting transport properties have been used in the laboratory experiments: a crinoid limestone and an oolithic limestone. Core samples dimensions were 1 inch

  15. Structural properties of templated Ge quantum dot arrays: impact of growth and pre-pattern parameters.

    Science.gov (United States)

    Tempeler, J; Danylyuk, S; Brose, S; Loosen, P; Juschkin, L

    2018-07-06

    In this study we analyze the impact of process and growth parameters on the structural properties of germanium (Ge) quantum dot (QD) arrays. The arrays were deposited by molecular-beam epitaxy on pre-patterned silicon (Si) substrates. Periodic arrays of pits with diameters between 120 and 20 nm and pitches ranging from 200 nm down to 40 nm were etched into the substrate prior to growth. The structural perfection of the two-dimensional QD arrays was evaluated based on SEM images. The impact of two processing steps on the directed self-assembly of Ge QD arrays is investigated. First, a thin Si buffer layer grown on a pre-patterned substrate reshapes the pre-pattern pits and determines the nucleation and initial shape of the QDs. Subsequently, the deposition parameters of the Ge define the overall shape and uniformity of the QDs. In particular, the growth temperature and the deposition rate are relevant and need to be optimized according to the design of the pre-pattern. Applying this knowledge, we are able to fabricate regular arrays of pyramid shaped QDs with dot densities up to 7.2 × 10 10 cm -2 .

  16. Effect of the processing parameters on the crystalline structure of lanthanide ortho tantalates

    Energy Technology Data Exchange (ETDEWEB)

    Siqueira, Kisla P.F.; Dias, Anderson, E-mail: anderson_dias@iceb.ufop.br [Universidade Federal de Ouro Preto (UFOP), MG (Brazil). Dept. de Quimica

    2014-08-15

    The influence of the synthesis parameters on the crystalline structures of ortho tantalate ceramics has been investigated. Powder materials were prepared by the solid-state reaction route. X-ray diffraction and Raman scattering measurements were employed to investigate the crystal structure of the produced materials. In this work, we analyzed three different examples in which the temperature and time were decisive on the final crystal structure of LnTaO{sub 4} compounds besides the lanthanide ionic size. Firstly, the thermal evolution for NdTaO{sub 4} samples showed that mixed crystal phases are formed up to 1100 °C, while well-crystallized M-NdTaO{sub 4} (I2/a) materials are obtained in temperatures higher than 1200 °C. Also, the influence of the synthesis time was investigated for the LaTaO{sub 4} ceramics: it was necessary 14 h to obtain samples in the P2{sub 1}/c structure. Finally, two polymorphs could be obtained for the DyTaO{sub 4} ceramics: P2/a and I2/a space groups were obtained at 1300 °C and 1500 °C, respectively. This study indicated that the temperature, time and lanthanide size are directly correlated with the crystalline arrangement of the ortho tantalate materials.(author)

  17. The fungal community structure of barley malts from diverse geographical regions correlates with malt quality parameters.

    Science.gov (United States)

    Kaur, Mandeep; Bowman, John P; Stewart, Doug C; Evans, David E

    2015-12-23

    Malt is a preferred base for fermentations that produce beer or whisky. Barley for malt is grown under diverse environments in different geographical locations. Malt provides an ecological niche for a varied range of microorganisms with both positive and negative effects on its quality for brewing. Little information exists in the literature on the microbial community structure of Australian malt as well as broader global geographical differences in the associated fungal and bacterial communities. The aims of the present study were to compare the bacterial and fungal community structures of Australian commercial malt with its international counterparts originating from different geographical regions using terminal restriction fragment length polymorphism (TRFLP) fingerprinting and clone library analyses of ribosomal RNA genes. Further, the relationship between malt associated microbial communities and conventional malt quality parameters was also compared. Results showed that differences in fungal communities of malts from different geographical location were more pronounced than bacterial communities. TRFLP analysis discriminated high quality commercial malts with low fungal loads from malts deliberately infected with fungal inocula (Fusarium/Penicillium). Malt moisture, beta-amylase, α-amylase and limit dextrinase contents showed significant correlations with fungal community structure. This investigation concluded that fungal community structure was more important to subsequent malt quality outcomes than bacteria. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Correlation between Parameters of Calcaneal Quantitative Ultrasound and Hip Structural Analysis in Osteoporotic Fracture Patients.

    Directory of Open Access Journals (Sweden)

    Licheng Zhang

    Full Text Available Calcaneal quantitative ultrasound (QUS, which is used in the evaluation of osteoporosis, is believed to be intimately associated with the characteristics of the proximal femur. However, the specific associations of calcaneal QUS with characteristics of the hip sub-regions remain unclear.A cross-sectional assessment of 53 osteoporotic patients was performed for the skeletal status of the heel and hip.We prospectively enrolled 53 female osteoporotic patients with femoral fractures. Calcaneal QUS, dual energy X-ray absorptiometry (DXA, and hip structural analysis (HSA were performed for each patient. Femoral heads were obtained during the surgery, and principal compressive trabeculae (PCT were extracted by a three-dimensional printing technique-assisted method. Pearson's correlation between QUS measurement with DXA, HSA-derived parameters and Young's modulus were calculated in order to evaluate the specific association of QUS with the parameters for the hip sub-regions, including the femoral neck, trochanteric and Ward's areas, and the femoral shaft, respectively.Significant correlations were found between estimated BMD (Est.BMD and BMD of different sub-regions of proximal femur. However, the correlation coefficient of trochanteric area (r = 0.356, p = 0.009 was higher than that of the neck area (r = 0.297, p = 0.031 and total proximal femur (r = 0.291, p = 0.034. Furthermore, the quantitative ultrasound index (QUI was significantly correlated with the HSA-derived parameters of the trochanteric area (r value: 0.315-0.356, all p<0.05 as well as with the Young's modulus of PCT from the femoral head (r = 0.589, p<0.001.The calcaneal bone had an intimate association with the trochanteric cancellous bone. To a certain extent, the parameters of the calcaneal QUS can reflect the characteristics of the trochanteric area of the proximal hip, although not specifically reflective of those of the femoral neck or shaft.

  19. Uncertainty calculation for modal parameters used with stochastic subspace identification: an application to a bridge structure

    Science.gov (United States)

    Hsu, Wei-Ting; Loh, Chin-Hsiung; Chao, Shu-Hsien

    2015-03-01

    Stochastic subspace identification method (SSI) has been proven to be an efficient algorithm for the identification of liner-time-invariant system using multivariate measurements. Generally, the estimated modal parameters through SSI may be afflicted with statistical uncertainty, e.g. undefined measurement noises, non-stationary excitation, finite number of data samples etc. Therefore, the identified results are subjected to variance errors. Accordingly, the concept of the stabilization diagram can help users to identify the correct model, i.e. through removing the spurious modes. Modal parameters are estimated at successive model orders where the physical modes of the system are extracted and separated from the spurious modes. Besides, an uncertainty computation scheme was derived for the calculation of uncertainty bounds for modal parameters at some given model order. The uncertainty bounds of damping ratios are particularly interesting, as the estimation of damping ratios are difficult to obtain. In this paper, an automated stochastic subspace identification algorithm is addressed. First, the identification of modal parameters through covariance-driven stochastic subspace identification from the output-only measurements is used for discussion. A systematic way of investigation on the criteria for the stabilization diagram is presented. Secondly, an automated algorithm of post-processing on stabilization diagram is demonstrated. Finally, the computation of uncertainty bounds for each mode with all model order in the stabilization diagram is utilized to determine system natural frequencies and damping ratios. Demonstration of this study on the system identification of a three-span steel bridge under operation condition is presented. It is shown that the proposed new operation procedure for the automated covariance-driven stochastic subspace identification can enhance the robustness and reliability in structural health monitoring.

  20. Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding.

    Science.gov (United States)

    Skagseth, Susann; Christopeit, Tony; Akhter, Sundus; Bayer, Annette; Samuelsen, Ørjan; Leiros, Hanna-Kirsti S

    2017-08-01

    Metallo-β-lactamases (MBLs) threaten the effectiveness of β-lactam antibiotics, including carbapenems, and are a concern for global public health. β-Lactam/β-lactamase inhibitor combinations active against class A and class D carbapenemases are used, but no clinically useful MBL inhibitor is currently available. Tripoli metallo-β-lactamase-1 (TMB-1) and TMB-2 are members of MBL subclass B1a, where TMB-2 is an S228P variant of TMB-1. The role of S228P was studied by comparisons of TMB-1 and TMB-2, and E119 was investigated through the construction of site-directed mutants of TMB-1, E119Q, E119S, and E119A (E119Q/S/A). All TMB variants were characterized through enzyme kinetic studies. Thermostability and crystallization analyses of TMB-1 were performed. Thiol-based inhibitors were investigated by determining the 50% inhibitory concentrations (IC 50 ) and binding using surface plasmon resonance (SPR) for analysis of TMB-1. Thermostability measurements found TMB-1 to be stabilized by high NaCl concentrations. Steady-state enzyme kinetics analyses found substitutions of E119, in particular, substitutions associated with the penicillins, to affect hydrolysis to some extent. TMB-2 with S228P showed slightly reduced catalytic efficiency compared to TMB-1. The IC 50 levels of the new thiol-based inhibitors were 0.66 μM (inhibitor 2a) and 0.62 μM (inhibitor 2b), and the equilibrium dissociation constant ( K D ) of inhibitor 2a was 1.6 μM; thus, both were more potent inhibitors than l-captopril (IC 50 = 47 μM; K D = 25 μM). The crystal structure of TMB-1 was resolved to 1.75 Å. Modeling of inhibitor 2b in the TMB-1 active site suggested that the presence of the W64 residue results in T-shaped π-π stacking and R224 cation-π interactions with the phenyl ring of the inhibitor. In sum, the results suggest that residues 119 and 228 affect the catalytic efficiency of TMB-1 and that inhibitors 2a and 2b are more potent inhibitors for TMB-1 than l-captopril. Copyright

  1. Comparison of bacterial community structure and dynamics during the thermophilic composting of different types of solid wastes: anaerobic digestion residue, pig manure and chicken manure

    OpenAIRE

    Song, Caihong; Li, Mingxiao; Jia, Xuan; Wei, Zimin; Zhao, Yue; Xi, Beidou; Zhu, Chaowei; Liu, Dongming

    2015-01-01

    This study investigated the impact of composting substrate types on the bacterial community structure and dynamics during composting processes. To this end, pig manure (PM), chicken manure (CM), a mixture of PM and CM (PM + CM), and a mixture of PM, CM and anaerobic digestion residue (ADR) (PM + CM + ADR) were selected for thermophilic composting. The bacterial community structure and dynamics during the composting process were detected and analysed by polymerase chain reaction–denaturing gra...

  2. Structural basis for new pattern of conserved amino acid residues related to chitin-binding in the antifungal peptide from the coconut rhinoceros beetle Oryctes rhinoceros.

    Science.gov (United States)

    Hemmi, Hikaru; Ishibashi, Jun; Tomie, Tetsuya; Yamakawa, Minoru

    2003-06-20

    Scarabaecin isolated from hemolymph of the coconut rhinoceros beetle Oryctes rhinoceros is a 36-residue polypeptide that has antifungal activity. The solution structure of scarabaecin has been determined from twodimensional 1H NMR spectroscopic data and hybrid distance geometry-simulated annealing protocol calculation. Based on 492 interproton and 10 hydrogen-bonding distance restraints and 36 dihedral angle restraints, we obtained 20 structures. The average backbone root-mean-square deviation for residues 4-35 is 0.728 +/- 0.217 A from the mean structure. The solution structure consists of a two-stranded antiparallel beta-sheet connected by a type-I beta-turn after a short helical turn. All secondary structures and a conserved disulfide bond are located in the C-terminal half of the peptide, residues 18-36. Overall folding is stabilized by a combination of a disulfide bond, seven hydrogen bonds, and numerous hydrophobic interactions. The structural motif of the C-terminal half shares a significant tertiary structural similarity with chitin-binding domains of plant and invertebrate chitin-binding proteins, even though scarabaecin has no overall sequence similarity to other peptide/polypeptides including chitin-binding proteins. The length of its primary structure, the number of disulfide bonds, and the pattern of conserved functional residues binding to chitin in scarabaecin differ from those of chitin-binding proteins in other invertebrates and plants, suggesting that scarabaecin does not share a common ancestor with them. These results are thought to provide further strong experimental evidence to the hypothesis that chitin-binding proteins of invertebrates and plants are correlated by a convergent evolution process.

  3. Stimulation of Tetrabromobisphenol A Binding to Soil Humic Substances by Birnessite and the Chemical Structure of the Bound Residues.

    Science.gov (United States)

    Tong, Fei; Gu, Xueyuan; Gu, Cheng; Xie, Jinyu; Xie, Xianchuan; Jiang, Bingqi; Wang, Yongfeng; Ertunc, Tanya; Schäffer, Andreas; Ji, Rong

    2016-06-21

    Studies have shown the main fate of the flame retardant tetrabromobisphenol A (TBBPA) in soils is the formation of bound residues, and mechanisms on it are less-understood. This study investigated the effect of birnessite (δ-MnO2), a naturally occurring oxidant in soils, on the formation of bound residues. (14)C-labeled TBBPA was used to investigate the pH dependency of TBBPA bound-residue formation to two soil humic acids (HAs), Elliott soil HA and Steinkreuz soil HA, in the presence of δ-MnO2. The binding of TBBPA and its transformation products to both HAs was markedly increased (3- to 17-fold) at all pH values in the presence of δ-MnO2. More bound residues were formed with the more aromatic Elliott soil HA than with Steinkreuz soil HA. Gel-permeation chromatography revealed a uniform distribution of the bound residues within Steinkreuz soil HA and a nonuniform distribution within Elliott soil HA. (13)C NMR spectroscopy of (13)C-TBBPA residues bound to (13)C-depleted HA suggested that in the presence of δ-MnO2, binding occurred via ester and ether and other types of covalent bonds besides HA sequestration. The insights gained in this study contribute to an understanding of the formation of TBBPA bound residues facilitated by δ-MnO2.

  4. Electronic structure of free and doped actinides: N and Z dependences of energy levels and electronic structure parameters

    International Nuclear Information System (INIS)

    Kulagin, N.

    2005-01-01

    Theoretical study of electronic structure of antinide ions and its dependence on N and Z are presented in this paper. The main 5f N and excited 5f N n'l' N' configurations of actinides have been studied using Hartree-Fock-Pauli approximation. Results of calculations of radial integrals and the energy of X-ray lines for all 5f ions with electronic state AC +1 -AC +4 show approximate dependence on N and Z. A square of N and cubic of Z are ewalized for the primary electronic parameters of the actinides. Theoretical values of radial integrals for free actinides and for ions in a cluster AC +n :[L] k are compared, too

  5. The formation of a native-like structure containing eight conserved hydrophobic residues is rate limiting in two-state protein folding of ACBP

    DEFF Research Database (Denmark)

    Kragelund, Birthe Brandt; Osmark, Peter; Neergaard, Thomas B.

    1999-01-01

    The acyl-coenzyme A-binding proteins (ACBPs) contain 26 highly conserved sequence positions. The majority of these have been mutated in the bovine protein, and their influence on the rate of two-state folding and unfolding has been measured. The results identify eight sequence positions, out of 24...... probed, that are critical for fast productive folding. The residues are all hydrophobic and located in the interface between the N- and C-terminal helices. The results suggest that one specific site dominated by conserved hydrophobic residues forms the structure of the productive rate-determining folding...... step and that a sequential framework model can describe the protein folding reaction....

  6. Discrete exterior geometry approach to structure-preserving discretization of distributed-parameter port-Hamiltonian systems

    NARCIS (Netherlands)

    Seslija, Marko; van der Schaft, Arjan; Scherpen, Jacquelien M.A.

    This paper addresses the issue of structure-preserving discretization of open distributed-parameter systems with Hamiltonian dynamics. Employing the formalism of discrete exterior calculus, we introduce a simplicial Dirac structure as a discrete analogue of the Stokes-Dirac structure and demonstrate

  7. A discrete exterior approach to structure-preserving discretization of distributed-parameter port-Hamiltonian systems

    NARCIS (Netherlands)

    Seslija, Marko; Scherpen, Jacquelien M.A.; van der Schaft, Arjan

    2011-01-01

    This paper addresses the issue of structure-preserving discretization of open distributed-parameter systems with Hamiltonian dynamics. Employing the formalism of discrete exterior calculus, we introduce simplicial Dirac structures as discrete analogues of the Stokes-Dirac structure and demonstrate

  8. Networks of High Mutual Information Define the Structural Proximity of Catalytic Sites: Implications for Catalytic Residue Identification

    DEFF Research Database (Denmark)

    Buslje, Cristina Marino; Teppa, Elin; Di Doménico, Tomas

    2010-01-01

    other non-functional conserved residues. Using a data set of 434 Pfam families included in the catalytic site atlas (CSA) database, we tested this hypothesis and demonstrated that MI can complement amino acid conservation scores to detect CR. The Kullback-Leibler (KL) conservation measurement was shown.......90, the Cls method was found to have a sensitivity of 0.816. In summary, we demonstrate that networks of residues with high MI provide a distinct signature on CR and propose that such a signature should be present in other classes of functional residues where the requirement to maintain a particular function...

  9. Identification of Capacitive MEMS Accelerometer Structure Parameters for Human Body Dynamics Measurements

    Directory of Open Access Journals (Sweden)

    Vincas Benevicius

    2013-08-01

    Full Text Available Due to their small size, low weight, low cost and low energy consumption, MEMS accelerometers have achieved great commercial success in recent decades. The aim of this research work is to identify a MEMS accelerometer structure for human body dynamics measurements. Photogrammetry was used in order to measure possible maximum accelerations of human body parts and the bandwidth of the digital acceleration signal. As the primary structure the capacitive accelerometer configuration is chosen in such a way that sensing part measures on all three axes as it is 3D accelerometer and sensitivity on each axis is equal. Hill climbing optimization was used to find the structure parameters. Proof-mass displacements were simulated for all the acceleration range that was given by the optimization problem constraints. The final model was constructed in Comsol Multiphysics. Eigenfrequencies were calculated and model’s response was found, when vibration stand displacement data was fed into the model as the base excitation law. Model output comparison with experimental data was conducted for all excitation frequencies used during the experiments.

  10. Compressive failure modes and parameter optimization of the trabecular structure of biomimetic fully integrated honeycomb plates.

    Science.gov (United States)

    Chen, Jinxiang; Tuo, Wanyong; Zhang, Xiaoming; He, Chenglin; Xie, Juan; Liu, Chang

    2016-12-01

    To develop lightweight biomimetic composite structures, the compressive failure and mechanical properties of fully integrated honeycomb plates were investigated experimentally and through the finite element method. The results indicated that: fracturing of the fully integrated honeycomb plates primarily occurred in the core layer, including the sealing edge structure. The morphological failures can be classified into two types, namely dislocations and compactions, and were caused primarily by the stress concentrations at the interfaces between the core layer and the upper and lower laminations and secondarily by the disordered short-fiber distribution in the material; although the fully integrated honeycomb plates manufactured in this experiment were imperfect, their mass-specific compressive strength was superior to that of similar biomimetic samples. Therefore, the proposed bio-inspired structure possesses good overall mechanical properties, and a range of parameters, such as the diameter of the transition arc, was defined for enhancing the design of fully integrated honeycomb plates and improving their compressive mechanical properties. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Structural and chemical analysis of process residue from biochemical conversion of wheat straw (Triticum aestivum L.) to ethanol

    DEFF Research Database (Denmark)

    Hansen, Mads Anders Tengstedt; Jørgensen, Henning; Laursen, Kristian Holst

    2013-01-01

    Biochemical conversion of lignocellulose to fermentable carbohydrates for ethanol production is now being implemented in large-scale industrial production. Applying hydrothermal pretreatment and enzymatic hydrolysis for the conversion process, a residue containing substantial amounts of lignin...

  12. 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.

  13. Small-scale Forearc Structure from Residual Bathymetry and Vertical Gravity Gradients at the Cocos-North America Subduction Zone offshore Mexico

    Science.gov (United States)

    Garcia, E. S. M.; Ito, Y.

    2017-12-01

    The subduction of topographic relief on the incoming plate at subduction zones causes deformation of the plate interface as well as the overriding plate. Whether the resulting geometric irregularities play any role in inhibiting or inducing seismic rupture is a topic of relevance for megathrust earthquake source studies. A method to discern the small-scale structure at subduction zone forearcs was recently developed by Bassett and Watts (2015). Their technique constructs an ensemble average of the trench-perpendicular topography, and the removal of this regional tectonic signal reveals the short-wavelength residual bathymetric anomalies. Using examples from selected areas at the Tonga, Mariana, and Japan subduction zones, they were able to link residual bathymetric anomalies to the subduction of seamount chains, given the similarities in wavelength and amplitude to the morphology of seamounts that have yet to subduct. We focus here on an analysis of forearc structures found in the Mexico segment of the Middle America subduction zone, and their potential mechanical interaction with areas on the plate interface that have been previously identified as source regions for earthquake ruptures and aseismic events. We identified several prominent residual bathymetric anomalies off the Guerrero and Oaxaca coastlines, mainly in the shallow portion of the plate interface and between 15 and 50 kilometers away from the trench axis. The residual amplitude of these bathymetric anomalies is typically in the hundreds of meters. Some of the residual bathymetric anomalies offshore Oaxaca are found landward of seamount chains on the incoming Cocos Plate, suggesting that these anomalies are associated with the prior subduction of seamounts at the margin. We also separated the residual and regional components of satellite-based vertical gravity gradient data using a directional median filter to isolate the possible gravity signals from the seamount edifices.

  14. Operating and mathematical representation of resonances between flow parameters oscillations and structure vibrations of NPP

    Energy Technology Data Exchange (ETDEWEB)

    Proskuryakov, K.N.; Yang Shan Afshar, E.; Polyakov, N.I. [Nuclear Power Plant Department of Moscow Power Engineering Institute Technical Univ., Moscow (Russian Federation)

    2007-07-01

    The experimental data that have been obtained from the measurements of noise signals in primary circuit of NPP with reactor of WWER-1000 are presented. The causes of resonant interaction between Eigen-Frequencies of Oscillations of the Coolant Pressure (EFOCP) and structure vibrations are discussed. An application-oriented approach to the problem of identification of abnormal phenomena of thermal-hydraulic parameters is proposed. Logarithmic Decrement {delta} is determined. The bigger damping ratio {zeta} provides bigger {delta} and correspondingly smaller values of Q-factor and amplitude X(t)max. All experimental units intended for NPP severe accident investigation must satisfy to the NPP Q-factor criterion of similarity. (authors)

  15. Operating and mathematical representation of resonances between flow parameters oscillations and structure vibrations of NPP

    International Nuclear Information System (INIS)

    Proskuryakov, K.N.; Yang Shan Afshar, E.; Polyakov, N.I.

    2007-01-01

    The experimental data that have been obtained from the measurements of noise signals in primary circuit of NPP with reactor of WWER-1000 are presented. The causes of resonant interaction between Eigen-Frequencies of Oscillations of the Coolant Pressure (EFOCP) and structure vibrations are discussed. An application-oriented approach to the problem of identification of abnormal phenomena of thermal-hydraulic parameters is proposed. Logarithmic Decrement δ is determined. The bigger damping ratio ζ provides bigger δ and correspondingly smaller values of Q-factor and amplitude X(t)max. All experimental units intended for NPP severe accident investigation must satisfy to the NPP Q-factor criterion of similarity. (authors)

  16. Structural parameters of polyethylenes obtained using a palladium catalyst: dilute solution and solid state studies

    International Nuclear Information System (INIS)

    Meneghetti, Simoni Plentz; Lutz, Pierre J.; Duval, M.; Kress, Jacky; Lapp, A.

    2001-01-01

    Polyethylenes were obtained using palladium catalyst [(Ar N=C(Me)-C(Me)=N Ar) Pd(CH 2 ) 3 (COOMe)] + BAr' 4 - (VERSIPOL TM ); Ar2,6-i-Pr 2 -C 6 H 3 and Ar'3,5-(CF 3 ) 2 -C 6 H 3 . The combination of dilute solution and solid state characterization of these polyethylenes revealed strong differences between structural parameters of samples prepared under almost identical conditions except ethylene pressure (6, 3 and 1 bar). These differences can be explained by the fact that samples prepared at 6 bar are almost linear, with only a few short branches, whereas those synthesized at 1 bar are highly branched or even hyper branched. (author)

  17. Influence of structural parameters of deep groove ball bearings on vibration

    Science.gov (United States)

    Yu, Guangwei; Wu, Rui; Xia, Wei

    2018-04-01

    Taking 6201 bearing as the research object, a dynamic model of 4 degrees of freedom is established to solve the vibration characteristics such as the displacement, velocity and acceleration of deep groove ball bearings by MATLAB and Runge-Kutta method. By calculating the theoretical value of the frequency of the rolling element passing through the outer ring and the simulation value of the model, it can be known that the theoretical calculation value and the simulation value have good consistency. By the experiments, the measured values and simulation values are consistent. Using the mathematical model, the effect of structural parameters on vibration is obtained. The method in the paper is testified to be feasible and the results can be used as references for the design, manufacturing and testing of deep groove ball bearings.

  18. Use of structural parameters of Canadian coals to follow coalification process

    Energy Technology Data Exchange (ETDEWEB)

    Furimsky, E.; Charland, J.-P.; Dureau, R.; Kalkreuth, W.; Wieschenkaemper, I. (CANMET, Ottawa, ON (Canada). Energy Research Laboratories)

    1991-06-01

    A series of Canadian coals was used to evaluate the structural parameters determined by the FTIR spectroscopy and the apparent aromaticity determined by solid state {sup 13}C NMR spectroscopy as coalification indicators. The results support the existence of two main coalification regions, i.e. the first involving lignite-subbituminous-high volatile bituminous stages and the second which begins with high volatile bituminous coals and ends with anthracite. The deoxygenation is the main reaction in the first region whereas the steady increase in apparent aromaticity is the most evident process in the second. The hydroxylic oxygen is a good indicator to distinguish between different coalification stages in the first region. The amount of three and more hydrogens attached to aromatic units exhibited a linear trend with both apparent aromaticity and mean reflectance for the coalification range from lignite to anthracite. 15 refs., 10 figs.

  19. Two-scale homogenization to determine effective parameters of thin metallic-structured films

    Science.gov (United States)

    Marigo, Jean-Jacques

    2016-01-01

    We present a homogenization method based on matched asymptotic expansion technique to derive effective transmission conditions of thin structured films. The method leads unambiguously to effective parameters of the interface which define jump conditions or boundary conditions at an equivalent zero thickness interface. The homogenized interface model is presented in the context of electromagnetic waves for metallic inclusions associated with Neumann or Dirichlet boundary conditions for transverse electric or transverse magnetic wave polarization. By comparison with full-wave simulations, the model is shown to be valid for thin interfaces up to thicknesses close to the wavelength. We also compare our effective conditions with the two-sided impedance conditions obtained in transmission line theory and to the so-called generalized sheet transition conditions. PMID:27616916

  20. Elements of an algorithm for optimizing a parameter-structural neural network

    Science.gov (United States)

    Mrówczyńska, Maria

    2016-06-01

    The field of processing information provided by measurement results is one of the most important components of geodetic technologies. The dynamic development of this field improves classic algorithms for numerical calculations in the aspect of analytical solutions that are difficult to achieve. Algorithms based on artificial intelligence in the form of artificial neural networks, including the topology of connections between neurons have become an important instrument connected to the problem of processing and modelling processes. This concept results from the integration of neural networks and parameter optimization methods and makes it possible to avoid the necessity to arbitrarily define the structure of a network. This kind of extension of the training process is exemplified by the algorithm called the Group Method of Data Handling (GMDH), which belongs to the class of evolutionary algorithms. The article presents a GMDH type network, used for modelling deformations of the geometrical axis of a steel chimney during its operation.

  1. Structural, spectroscopic and energetic parameters of P-bearing species having astrophysical importance

    Directory of Open Access Journals (Sweden)

    Kevin Gooniah

    2015-12-01

    Full Text Available Molecular parameters such as equilibrium structure, dipole moment, rotational constant, harmonic frequency, IR intensity, adiabatic electron affinity, atomisation energy and ionisation potential of some P-bearing molecules PS, PO and HC3P in their neutral, cationic and anionic forms were investigated using the popular B3LYP hybrid density functional with four basis sets 6-311++G(2df,2pd, 6-311++G(3df,3pd, cc-pVTZ and aug-cc-pVTZ. The computed data conform well to those existing in the literature. Therefore, the predicted data for those molecules or ions which are not available in the literature should be reliable.

  2. Effect of structural parameters on burning behavior of polyester fabrics having flame retardancy property

    Science.gov (United States)

    Çeven, E. K.; Günaydın, G. K.

    2017-10-01

    The aim of this study is filling the gap in the literature about investigating the effect of yarn and fabric structural parameters on burning behavior of polyester fabrics. According to the experimental design three different fabric types, three different weft densities and two different weave types were selected and a total of eighteen different polyester drapery fabrics were produced. All statistical procedures were conducted using the SPSS Statistical software package. The results of the Analysis of Variance (ANOVA) tests indicated that; there were statistically significant (5% significance level) differences between the mass loss ratios (%) in weft and mass loss ratios (%) in warp direction of different fabrics calculated after the flammability test. The Student-Newman-Keuls (SNK) results for mass loss ratios (%) both in weft and warp directions revealed that the mass loss ratios (%) of fabrics containing Trevira CS type polyester were lower than the mass loss ratios of polyester fabrics subjected to washing treatment and flame retardancy treatment.

  3. Evaluating the parameters of reactor structure materials absorption by means of a new kind integral experiments

    International Nuclear Information System (INIS)

    Bemer, B.; Dittse, K.; Fehrrann, K.; Khyuttet', G.; Kumpf, G.; Lemann, E.

    1984-01-01

    Integral experiment of a new type is conducted for determination of the effective cross sections of structural material absorption in fast reactors. Its essence is that absorption cross sections are determined directly from the measured central coefficients of reactivities in the special fast inserting lattice SEG-4 with energy-independent neutron importance function. Parameters of the system, method of measurements, advantages of the method as compared with Ksub(infinity)=I method are described. The results of measurements for Fe, Cr, Ni, Mn, Mo and W are presented. Problems of mass dependence of the sample are discussed. Conclusion on universality of the suggested method is made on the basis of comparing the obtained results with data of calculations conducted by using different libraries of nuclear data

  4. Optical absorption in planar graphene superlattice: The role of structural parameters

    Science.gov (United States)

    Azadi, L.; Shojaei, S.

    2018-04-01

    We theoretically studied the optically driven interband transitions in a planar graphene superlattices (PGSL) formed by patterning graphene sheet on laterally hetrostructured substrate as Sio2/hBN. A tunable optical transitions between minibands is observed based on engineering structural parameters. We derive analytically expression for optical absorption from two-band model. Considerable optical absorption is obtained for different ratios between widths of heterostructured substrate and is explained analytically from the view point of wavefunction engineering and miniband dispersion, in details. The role of different statuses of polarization as circular and linear are considered. Our study paves a way toward the control of optical properties of PGSLs to be implemented in optoelectronics devices.

  5. Thermal Stress Analysis and Structure Parameter Selection for a Bi2Te3-Based Thermoelectric Module

    Science.gov (United States)

    Gao, Jun-Ling; Du, Qun-Gui; Zhang, Xiao-Dan; Jiang, Xin-Qiang

    2011-05-01

    The output power and conversion efficiency of thermoelectric modules (TEMs) are mainly determined by their material properties, i.e., Seebeck coefficient, electrical resistivity, and thermal conductivity. In practical applications, due to the influence of the harsh environment, the mechanical properties of TEMs should also be considered. Using the finite-element analysis (FEA) model in ANSYS software, we present the thermal stress distribution of a TEM based on the anisotropic mechanical properties and thermoelectric properties of hot-pressed materials. By analyzing the possibilities of damage along the cleavage plane of Bi2Te3-based thermoelectric materials and by optimizing the structure parameters, a TEM with better mechanical performance is obtained. Thus, a direction for improving the thermal stress resistance of TEMs is presented.

  6. Site-Mutation of Hydrophobic Core Residues Synchronically Poise Super Interleukin 2 for Signaling: Identifying Distant Structural Effects through Affordable Computations

    Directory of Open Access Journals (Sweden)

    Longcan Mei

    2018-03-01

    Full Text Available A superkine variant of interleukin-2 with six site mutations away from the binding interface developed from the yeast display technique has been previously characterized as undergoing a distal structure alteration which is responsible for its super-potency and provides an elegant case study with which to get insight about how to utilize allosteric effect to achieve desirable protein functions. By examining the dynamic network and the allosteric pathways related to those mutated residues using various computational approaches, we found that nanosecond time scale all-atom molecular dynamics simulations can identify the dynamic network as efficient as an ensemble algorithm. The differentiated pathways for the six core residues form a dynamic network that outlines the area of structure alteration. The results offer potentials of using affordable computing power to predict allosteric structure of mutants in knowledge-based mutagenesis.

  7. Coefficient of crystal lattice matching as a parameter of substrate - crystal structure compatibility in silumins

    Directory of Open Access Journals (Sweden)

    J. Piątkowski

    2009-07-01

    Full Text Available Adding high-melting point elements (Mo, Nb, Ni, Ti, W to complex silumins results in hardening of the latter ones, owing to the formation of new intermetallic phases of the AlxMey type, with refinement of dendrites in α solution and crystals in β phase. The hardening is also due to the effect of various inoculants. An addition of the inoculant is expected to form substrates, the crystal lattice of which, or some (privileged lattice planes and interatomic spaces should bear a strong resemblance to the crystal nucleus. To verify this statement, using binary phase equilibria systems, the coefficient of crystal lattice matching, being one of the measures of the crystallographic similarity, was calculated. A compatibility of this parameter (up to 20% may decide about the structure compatibility between the substrate and crystal which, in turn, is responsible for the effectiveness of alloy modification. Investigations have proved that, given the temperature range of their formation, the density, the lattice type, and the lattice parameter, some intermetallic phases of the AlxMey type can act as substrates for the crystallisation of aluminium and silicon, and some of the silumin hardening phases.

  8. A catalogue of masses, structural parameters and velocity dispersion profiles of 112 Milky Way globular clusters

    Science.gov (United States)

    Baumgardt, H.; Hilker, M.

    2018-05-01

    We have determined masses, stellar mass functions and structural parameters of 112 Milky Way globular clusters by fitting a large set of N-body simulations to their velocity dispersion and surface density profiles. The velocity dispersion profiles were calculated based on a combination of more than 15,000 high-precision radial velocities which we derived from archival ESO/VLT and Keck spectra together with ˜20, 000 published radial velocities from the literature. Our fits also include the stellar mass functions of the globular clusters, which are available for 47 clusters in our sample, allowing us to self-consistently take the effects of mass segregation and ongoing cluster dissolution into account. We confirm the strong correlation between the global mass functions of globular clusters and their relaxation times recently found by Sollima & Baumgardt (2017). We also find a correlation of the escape velocity from the centre of a globular cluster and the fraction of first generation stars (FG) in the cluster recently derived for 57 globular clusters by Milone et al. (2017), but no correlation between the FG star fraction and the global mass function of a globular cluster. This could indicate that the ability of a globular cluster to keep the wind ejecta from the polluting star(s) is the crucial parameter determining the presence and fraction of second generation stars and not its later dynamical mass loss.

  9. Optimization of process parameters for spark plasma sintering of nano structured SAF 2205 composite

    Directory of Open Access Journals (Sweden)

    Samuel Ranti Oke

    2018-04-01

    Full Text Available This research optimized spark plasma sintering (SPS process parameters in terms of sintering temperature, holding time and heating rate for the development of a nano-structured duplex stainless steel (SAF 2205 grade reinforced with titanium nitride (TiN. The mixed powders were sintered using an automated spark plasma sintering machine (model HHPD-25, FCT GmbH, Germany. Characterization was performed using X-ray diffraction and scanning electron microscopy. Density and hardness of the composites were investigated. The XRD result showed the formation of FeN0.068. SEM/EDS revealed the presence of nano ranged particles of TiN segregated at the grain boundaries of the duplex matrix. A decrease in hardness and densification was observed when sintering temperature and heating rate were 1200 °C and 150 °C/min respectively. The optimum properties were obtained in composites sintered at 1150 °C for 15 min and 100 °C/min. The composite grades irrespective of the process parameters exhibited similar shrinkage behavior, which is characterized by three distinctive peaks, which is an indication of good densification phenomena. Keywords: Spark plasma sintering, Duplex stainless steel (SAF 2205, Titanium nitride (TiN, Microstructure, Density, Hardness

  10. Impact factors and the optimal parameter of acoustic structure quantification in the assessment of liver fibrosis.

    Science.gov (United States)

    Huang, Yang; Liu, Guang-Jian; Liao, Bing; Huang, Guang-Liang; Liang, Jin-Yu; Zhou, Lu-Yao; Wang, Fen; Li, Wei; Xie, Xiao-Yan; Wang, Wei; Lu, Ming-De

    2015-09-01

    The aims of the present study are to assess the impact factors on acoustic structure quantification (ASQ) ultrasound and find the optimal parameter for the assessment of liver fibrosis. Twenty healthy volunteers underwent ASQ examinations to evaluate impact factors in ASQ image acquisition and analysis. An additional 113 patients with liver diseases underwent standardized ASQ examinations, and the results were compared with histologic staging of liver fibrosis. We found that the right liver displayed lower values of ASQ parameters than the left (p = 0.000-0.021). Receive gain experienced no significant impact except gain 70 (p = 0.193-1.000). With regard to different diameter of involved vessels in regions of interest, the group ≤2.0 mm differed significantly with the group 2.1-5.0 mm (p = 0.000-0.033) and the group >5.0 mm (p = 0.000-0.062). However, the region of interest size (p = 0.438-1.000) and depth (p = 0.072-0.764) had no statistical impact. Good intra- and inter-operator reproducibilities were found in both image acquisitions and offline image analyses. In the liver fibrosis study, the focal disturbance ratio had the highest correlation with histologic fibrosis stage (r = 0.67, p the assessment of liver fibrosis. Copyright © 2015 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

  11. A size dependent dynamic model for piezoelectric nanogenerators: effects of geometry, structural and environmental parameters

    Science.gov (United States)

    Sadeghzadeh, Sadegh; Farshad Mir Saeed Ghazi, Seyyed

    2018-03-01

    Piezoelectric Nanogenerator (PENG) is one of the novel energy harvester systems that recently, has been a subject of interest for researchers. By the use of nanogenerators, it’s possible to harvest different forms of energy in the environment like mechanical vibrations and generate electricity. The structure of a PENG consists of vertical arrays of nanowires between two electrodes. In this paper, dynamic analysis of a PENG is studied numerically. The modified couple stress theory which includes one length scale material parameter is used to study the size-dependent behavior of PENGs. Then, by application of a complete form of linear hybrid piezoelectric—pyroelectric equations, and using the Euler-Bernoulli beam model, the equations of motion has been derived. Generalized Differential Quadrature (GDQ) method was employed to solve the equations of motion. The effect of damping ratio, temperature rise, excitation frequency and length scale parameter was studied. It was found that the PENG voltage maximizes at the resonant frequency of nanowire. The temperature rise has a significant effect on PENG’s efficiency. When temperature increases about 10 {{K}}, the maximum voltage increases about 26%. Increasing the damping ratio, the maximum voltage decreases gradually.

  12. 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.

  13. Effect of Extracted Compositions of Liquefaction Residue on the Structure and Properties of the Formed-coke

    Directory of Open Access Journals (Sweden)

    Song Yong-hui

    2016-01-01

    Full Text Available The purpose of this paper is to study the effect of extracted compositions of the de-ash liquefaction residue (D-DCLR on pyrolysis products yields, compressive strength and composition of the formed-coke, which was prepared by co-pyrolysis of the low metamorphic pulverized coal and D-DCLR. The scanning electron microscope (SEM and the Fourier Transform Infrared (FT-IR were used to characterize the morphology and functional group of the formed-coke, respectively. The results showed that the extracted compositions of D-DCLR were heavy oil (HS, asphaltene (A, pre-asphaltene (PA and tetrahydrofuran isolusion (THFIS, whose contents were 5.10%, 40.90%, 14.4%, 39.60%, respectively. During the pyrolysis process, HS was the main source of tar, and HS, A as well as PA were conducive to improve gas yields. The THFIS helped to improve the yield of the formed-coke up to 89.5%, corresponding to the compressive strength was only 147.7N/ball for the coke. A and PA were the key factors affecting the compressive strength and surface structure of the formed-coke. The compressive strength of coke could be up to 728.0N/ball with adding D-DCLR, which reduced by 50% after the removal of A and PA. The FT-IR analysis showed that the types of surface functional groups of the formed-coke were remained the same after co-pyrolysis, but the absorption peak intensity of each functional group was changed.

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

    Directory of Open Access Journals (Sweden)

    Kevin A James

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

  15. 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.

  16. Composition and structure variation for magnetron sputtered tantalum oxynitride thin films, as function of deposition parameters

    Energy Technology Data Exchange (ETDEWEB)

    Cristea, D.; Pătru, M.; Crisan, A.; Munteanu, D. [Department of Materials Science, Transilvania University, 500036 Brasov (Romania); Crăciun, D. [Laser Department, National Institute for Laser, Plasma, and Radiation Physics, Magurele (Romania); Barradas, N.P. [Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, E.N. 10 ao km 139,7, 2695-066 Bobadela LRS (Portugal); Alves, E. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, E.N. 10 ao km 139,7, 2695-066 Bobadela LRS (Portugal); Apreutesei, M. [Université de Lyon, Institut des Nanotechnologies de Lyon INL-UMR 5270, CNRS, Ecole Centrale de Lyon, Ecully F-69134 (France); MATEIS Laboratory-INSA de Lyon, Bât. B. Pascal, 7 Avenue Jean Capelle, 69621 Villeurbanne Cedex (France); Moura, C. [Center of Physics, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Cunha, L., E-mail: lcunha@fisica.uminho.pt [Center of Physics, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal)

    2015-12-15

    Highlights: • Structural evolution from β-Ta, to fcc-Ta(O,N), to amorphous Ta{sub 2}O{sub 5} with increasing P(N{sub 2} + O{sub 2}). • The substrate bias influences the N content, but does not influence the O content of the films. • The structural features of the films appear at lower P(N{sub 2} + O{sub 2}) when produced with grounded substrate. - Abstract: Tantalum oxynitride thin films were produced by magnetron sputtering. The films were deposited using a pure Ta target and a working atmosphere with a constant N{sub 2}/O{sub 2} ratio. The choice of this constant ratio limits the study concerning the influence of each reactive gas, but allows a deeper understanding of the aspects related to the affinity of Ta to the non-metallic elements and it is economically advantageous. This work begins by analysing the data obtained directly from the film deposition stage, followed by the analysis of the morphology, composition and structure. For a better understanding regarding the influence of the deposition parameters, the analyses are presented by using the following criterion: the films were divided into two sets, one of them produced with grounded substrate holder and the other with a polarization of −50 V. Each one of these sets was produced with different partial pressure of the reactive gases P(N{sub 2} + O{sub 2}). All the films exhibited a O/N ratio higher than the N/O ratio in the deposition chamber atmosphere. In the case of the films produced with grounded substrate holder, a strong increase of the O content is observed, associated to the strong decrease of the N content, when P(N{sub 2} + O{sub 2}) is higher than 0.13 Pa. The higher Ta affinity for O strongly influences the structural evolution of the films. Grazing incidence X-ray diffraction showed that the lower partial pressure films were crystalline, while X-ray reflectivity studies found out that the density of the films depended on the deposition conditions: the higher the gas pressure, the

  17. Effect of sputtering parameters and substrate composition on the structure of tantalum thin films

    Energy Technology Data Exchange (ETDEWEB)

    Hallmann, Lubica, E-mail: lubica.hallmann@zzm.uzh.c [Clinic of Fixed and Removable Prosthodontics and Dental Material Science, Center of Dental Medicine, University of Zürich (Switzerland); Ulmer, Peter [Institute of Geochemistry and Petrology, ETH Zürich (Switzerland)

    2013-10-01

    The crystallographic properties of tantalum films deposited as a bioactive coating on Co–Cr–Mo and Ti–Al–Nb alloys have been investigated. The desired tough and ductile alpha phase of tantalum has been obtained by DC magnetron sputtering on Co–Cr–Mo and Ti–Al–Nb substrates. The thickness of the tantalum layer was between 20 and 600 nm. The crystallographic structure of tantalum thin film was dependent on the sputtering parameters such as DC power, bias voltage and gas impurities. Oxygen is an important factor for the stabilization of the tantalum alpha phase on Co–Cr–Mo substrate. The crystallographic structure and texture of tantalum thin films was found to be additionally dependent on the substrate composition. For Ti–Al–Nb substrate, oxygen content was not an important factor for the stabilization of the alpha phase. The observed shift of X-ray diffraction peaks to lower 2(θ) is an indication of stress evolving during the sputtering process and was dependent on bias voltage and oxygen content of the carrier gas.

  18. INFLUENCE OF STRUCTURAL PARAMETERS OF LOW-CARBON STEEL ON ELECTRIC ARC BURNING

    Directory of Open Access Journals (Sweden)

    I. O. Vakulenko

    2017-10-01

    Full Text Available Purpose. The article is aimed to evaluate the influence of structural parameters of low-carbon steel on arcing process. Methodology. The values of the micro- and substructure characteristics of the electrode wire metal were changed by varying the parameters of heat treatment and cold deformation by drawing. The degree of plastic deformation was obtained by drawing blanks from different initial diameter to final dimension of 1 mm. The thermal treatment was carried out in electric chamber furnace of the SNOL-1,6.2,5.1/11-IZ type. The temperature was measured by chromel-alumel thermocouple and the electromotive force was determined using the DC potentiometer. In order to obtain the substructure of different dispersion degree the steel (after quenching from temperatures and tempering at 650°C for 1 hour was subjected to cold drawing to reduction 17 – 80%. To form structure with different ferrite grain size the steel after drawing was annealed at 680°C for 1 hour. The microstructure was examined under a light and electron transmission microscope UEMV-100K at the accelerating voltage 100 kV. The grain and subgrain sizes were evaluated using the methodologies of quantitative metallography. A welding converter of the PSG-500 type was used to study the arc welding process of direct and reverse polarities. Findings. The experimentally detected value of the welding current, which depends on the degree of deformation during wire drawing, under conditions of stable arc burning of direct polarity is about an order of magnitude lower than the calculated value. Similar difference was found for the arc of reverse polarity: the experimental value of the welding current is 5...6 times less than the calculated value. Dependence analysis shows that, regardless of the polarity of the welding arc, a good enough agreement between the calculated and experimental values of the welding current is limited to deformations of 60%. For deformation degrees of more than 60

  19. 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

  20. High-speed infrared thermography for the measurement of microscopic boiling parameters on micro- and nano-structured surfaces

    International Nuclear Information System (INIS)

    Park, Youngjae; Kim, Hyungdae; Kim, Hyungmo; Kim, Joonwon

    2014-01-01

    Micro- and nano-scale structures on boiling surfaces can enhance nucleate boiling heat transfer coefficient (HTC) and critical heat flux (CHF). A few studies were conducted to explain the enhancements of HTC and CHF using the microscopic boiling parameters. Quantitative measurements of microscopic boiling parameters are needed to understand the physical mechanism of the boiling heat transfer augmentation on structured surfaces. However, there is no existing experimental techniques to conveniently measure the boiling parameters on the structured surfaces because of the small (structured surfaces. The visualization results are analyzed to obtain the microscopic boiling parameters. Finally, quantitative microscopic boiling parameters are used to interpret the enhancement of HTC and CHF. In this study, liquid-vapor phase distributions of each surface were clearly visualized by IR thermography during the nucleate boiling phenomena. From the visualization results, following microscopic boiling parameters were quantitatively measured by image processing. - Number density of dry patch, NDP IR thermography technique was demonstrated by nucleate pool boiling experiments with M- and N surfaces. The enhancement of HTC and CHF could be explained by microscopic boiling parameters

  1. Further Studies of Forest Structure Parameter Retrievals Using the Echidna® Ground-Based Lidar

    Science.gov (United States)

    Strahler, A. H.; Yao, T.; Zhao, F.; Yang, X.; Schaaf, C.; Wang, Z.; Li, Z.; Woodcock, C. E.; Culvenor, D.; Jupp, D.; Newnham, G.; Lovell, J.

    2012-12-01

    Ongoing work with the Echidna® Validation Instrument (EVI), a full-waveform, ground-based scanning lidar (1064 nm) developed by Australia's CSIRO and deployed by Boston University in California conifers (2008) and New England hardwood and softwood (conifer) stands (2007, 2009, 2010), confirms the importance of slope correction in forest structural parameter retrieval; detects growth and disturbance over periods of 2-3 years; provides a new way to measure the between-crown clumping factor in leaf area index retrieval using lidar range; and retrieves foliage profiles with more lower-canopy detail than a large-footprint aircraft scanner (LVIS), while simulating LVIS foliage profiles accurately from a nadir viewpoint using a 3-D point cloud. Slope correction is important for accurate retrieval of forest canopy structural parameters, such as mean diameter at breast height (DBH), stem count density, basal area, and above-ground biomass. Topographic slope can induce errors in parameter retrievals because the horizontal plane of the instrument scan, which is used to identify, measure, and count tree trunks, will intersect trunks below breast height in the uphill direction and above breast height in the downhill direction. A test of three methods at southern Sierra Nevada conifer sites improved the range of correlations of these EVI-retrieved parameters with field measurements from 0.53-0.68 to 0.85-0.93 for the best method. EVI scans can detect change, including both growth and disturbance, in periods of two to three years. We revisited three New England forest sites scanned in 2007-2009 or 2007-2010. A shelterwood stand at the Howland Experimental Forest, Howland, Maine, showed increased mean DBH, above-ground biomass and leaf area index between 2007 and 2009. Two stands at the Harvard Forest, Petersham, Massachusetts, suffered reduced leaf area index and reduced stem count density as the result of an ice storm that damaged the stands. At one stand, broken tops were

  2. The evaluation of hierarchical structured superhydrophobic coatings for the alleviation of insect residue to aircraft laminar flow surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kok, Mariana [Department of Mechanical, Aeronautical and Biomedical Engineering, University of Limerick, Limerick (Ireland); Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Young, Trevor M., E-mail: Trevor.Young@ul.ie [Department of Mechanical, Aeronautical and Biomedical Engineering, University of Limerick, Limerick (Ireland); Materials and Surface Science Institute, University of Limerick, Limerick (Ireland)

    2014-09-30

    Surface contamination caused by insects on laminar flow wing surfaces causes a disruption of the flow, resulting in an increase in drag and fuel consumption. Consequently, the use of superhydrophobic coatings to mitigate insect residue adhesion was investigated. A range of hierarchical superhydrophobic coatings with different surface chemistry and topography was examined. Candidate coatings were characterized in terms of their morphology and hydrophobic properties by scanning electron microscopy (SEM) and static and dynamic contact angle measurements, respectively. Arithmetic mean surface roughness (R{sub a}) values were measured using profilometry. Only superhydrophobic coatings with a specific topography showed complete mitigation against insect residue adhesion. A surface which exhibited a specific microstructure (R{sub a} = 5.26 μm) combined with a low sliding angle (SA = 7.6°) showed the best anti-contamination properties. The dynamics of an insect impact event and its influence on the wetting and adhesion mechanisms of insect residue to a surface were discussed.

  3. Structural parameters of pikeperch (Sander lucioperca population of the Kyiv reservoir

    Directory of Open Access Journals (Sweden)

    O. Buzevych

    2017-01-01

    Full Text Available Purpose. Analysis of the dynamics of structural parameters as an integral property of the processes of recruitment and elimination of the reproductive and commercial population nuclei of pikeperch of the Kyiv reservoir. Methodology. Ichthyological material was collected during spring-summer period of 2015-2016 from survey catches done with gill nets with mesh sizes of 30-120 mm. Collection and processing of the field materials were carried out using conventional methods. In total, catches of 3.5 thousand net-days were processed during the study period and 1031 individual pikeperch were analyzed. Total mortality coefficient (Z was determined by graphic method based on the dynamics of the natural logarithms of the abundances of different age groups. Statistical processing of data was done in MS Excel. Findings. Commercial landings of pikeperch during last 10 years has a clear trend for a growth: from 20-25 to 80-100 tons. The catch of pikeperch per unit effort of survey gill nets in an interannual aspect is also characterized by a growth. At the same time, there is a certain improvement of the structural parameters of pikeperch population, e.g. an increase in the maximum age and extension of the modal frequency distribution. Age-3 and age-4 fish represented the major part of the population (71.6% in the catches of 2015, while the share of age-5-6 fish was also relatively high (10.8%. It resulted in an increase in the weighed mean age of the pikeperch population to 4.5 years. For 2016, there is a significant shift of the frequency distribution to its left wing – the major part of the population (64.7% was composed of age-2 to age-4 fish. The weighed mean age in 2016 decreased to 2.6 years that was due first of all to abundant recruitment and intensive elimination of middle age groups. Total mortality (Z of pikeperch in 2015-2016 was 0.53-0.56 that corresponded to normal conditions of the formation of the commercial stock of this species and

  4. Modeling Forest Structural Parameters in the Mediterranean Pines of Central Spain using QuickBird-2 Imagery and Classification and Regression Tree Analysis (CART

    Directory of Open Access Journals (Sweden)

    José A. Delgado

    2012-01-01

    Full Text Available Forest structural parameters such as quadratic mean diameter, basal area, and number of trees per unit area are important for the assessment of wood volume and biomass and represent key forest inventory attributes. Forest inventory information is required to support sustainable management, carbon accounting, and policy development activities. Digital image processing of remotely sensed imagery is increasingly utilized to assist traditional, more manual, methods in the estimation of forest structural attributes over extensive areas, also enabling evaluation of change over time. Empirical attribute estimation with remotely sensed data is frequently employed, yet with known limitations, especially over complex environments such as Mediterranean forests. In this study, the capacity of high spatial resolution (HSR imagery and related techniques to model structural parameters at the stand level (n = 490 in Mediterranean pines in Central Spain is tested using data from the commercial satellite QuickBird-2. Spectral and spatial information derived from multispectral and panchromatic imagery (2.4 m and 0.68 m sided pixels, respectively served to model structural parameters. Classification and Regression Tree Analysis (CART was selected for the modeling of attributes. Accurate models were produced of quadratic mean diameter (QMD (R2 = 0.8; RMSE = 0.13 m with an average error of 17% while basal area (BA models produced an average error of 22% (RMSE = 5.79 m2/ha. When the measured number of trees per unit area (N was categorized, as per frequent forest management practices, CART models correctly classified 70% of the stands, with all other stands classified in an adjacent class. The accuracy of the attributes estimated here is expected to be better when canopy cover is more open and attribute values are at the lower end of the range present, as related in the pattern of the residuals found in this study. Our findings indicate that attributes derived from

  5. Trabecular bone structural parameters evaluated using dental cone-beam computed tomography: cellular synthetic bones.

    Science.gov (United States)

    Ho, Jung-Ting; Wu, Jay; Huang, Heng-Li; Chen, Michael Y c; Fuh, Lih-Jyh; Hsu, Jui-Ting

    2013-11-09

    This study compared the adequacy of dental cone beam computed tomography (CBCT) and micro computed tomography (micro-CT) in evaluating the structural parameters of trabecular bones. The cellular synthetic bones in 4 density groups (Groups 1-4: 0.12, 0.16, 0.20, and 0.32 g/cm3) were used in this study. Each group comprised 8 experimental specimens that were approximately 1 cm3. Dental CBCT and micro-CT scans were conducted on each specimen to obtain independent measurements of the following 4 trabecular bone structural parameters: bone volume fraction (BV/TV), specific bone surface (BS/BV), trabecular thickness (Tb.Th.), and trabecular separation (Tb.Sp.). Wilcoxon signed ranks tests were used to compare the measurement variations between the dental CBCT and micro-CT scans. A Spearman analysis was conducted to calculate the correlation coefficients (r) of the dental CBCT and micro-CT measurements. Of the 4 groups, the BV/TV and Tb.Th. measured using dental CBCT were larger compared with those measured using micro-CT. By contrast, the BS/BV measured using dental CBCT was significantly less compared with those measured using micro-CT. Furthermore, in the low-density groups (Groups 1 and 2), the Tb.Sp. measured using dental CBCT was smaller compared with those measured using micro-CT. However, the Tb.Sp. measured using dental CBCT was slightly larger in the high-density groups (Groups 3 and 4) than it was in the low density groups. The correlation coefficients between the BV/TV, BS/BV, Tb.Th., and Tb.Sp. values measured using dental CBCT and micro-CT were 0.9296 (p < .001), 0.8061 (p < .001), 0.9390 (p < .001), and 0.9583 (p < .001), respectively. Although the dental CBCT and micro-CT approaches exhibited high correlations, the absolute values of BV/TV, BS/BV, Tb.Th., Tb.Sp. differed significantly between these measurements. Additional studies must be conducted to evaluate using dental CBCT in clinical practice.

  6. Intra week reliability of Fibrinolytic and metabolic parameters and stability of their covariance structure

    NARCIS (Netherlands)

    Riese, H.; Vrijkotte, T.; Meijer, P.; Kluft, C.; Geus, E. de

    1999-01-01

    Interactions between lipoproteins and fibrinolytic parameters inducing cardiovascular disease are gradually being disclosed. The multivariate analyses often used in studies investigating this relationship implicitly assume 1) that the reliability of the parameters in a cluster is comparably high,

  7. Homology modeling and docking analyses of M. leprae Mur ligases reveals the common binding residues for structure based drug designing to eradicate leprosy.

    Science.gov (United States)

    Shanmugam, Anusuya; Natarajan, Jeyakumar

    2012-06-01

    Multi drug resistance capacity for Mycobacterium leprae (MDR-Mle) demands the profound need for developing new anti-leprosy drugs. Since most of the drugs target a single enzyme, mutation in the active site renders the antibiotic ineffective. However, structural and mechanistic information on essential bacterial enzymes in a pathway could lead to the development of antibiotics that targets multiple enzymes. Peptidoglycan is an important component of the cell wall of M. leprae. The biosynthesis of bacterial peptidoglycan represents important targets for the development of new antibacterial drugs. Biosynthesis of peptidoglycan is a multi-step process that involves four key Mur ligase enzymes: MurC (EC:6.3.2.8), MurD (EC:6.3.2.9), MurE (EC:6.3.2.13) and MurF (EC:6.3.2.10). Hence in our work, we modeled the three-dimensional structure of the above Mur ligases using homology modeling method and analyzed its common binding features. The residues playing an important role in the catalytic activity of each of the Mur enzymes were predicted by docking these Mur ligases with their substrates and ATP. The conserved sequence motifs significant for ATP binding were predicted as the probable residues for structure based drug designing. Overall, the study was successful in listing significant and common binding residues of Mur enzymes in peptidoglycan pathway for multi targeted therapy.

  8. The Effect of Truncation of Periodic Structures on NRW Material Parameter Extraction

    DEFF Research Database (Denmark)

    Clausen, Niels Christian Jerichau; Arslanagic, Samel; Breinbjerg, Olav

    2014-01-01

    Using the Nicolson-Ross-Weir (NRW) material parameter extraction method, we compare the difference between using 1 or 10 cells when obtaining the scattering parameters. Obviously these parameters are different, but we see that we practically extract the same propagation constant, wave impedance, ......, permittivity and permeability....

  9. Formulation and characterization of structural lightweight concrete containing residues of porcelain tile polishing, tire rubber and limestone

    Directory of Open Access Journals (Sweden)

    Z. L. M. Sampaio

    Full Text Available Abstract The recent increase in the construction industry has transformed concrete into an ideal choice to recycle a number of residues formerly discarded into the environment. Among various products, porcelain tile polishing, limestone and tire rubber residues are potential candidates to replace the fine aggregate of conventional mixtures. The aim of this study was to investigate the effect of the addition of varying contents of these residues in lightweight concrete where expanded clay replaced gravel. To that end, slump, compressive strength, density, void ratio, porosity and absorption tests were carried out. The densities of all concrete formulations studied were 10% lower to that of lightweight concrete (<1.850 kg/m³. Nevertheless, mixes containing 10 to 15% of combined residues reduced absorption, void ratio and porosity, at least 17% lower compared to conventional concrete. The strength of such formulations reached 27 MPa at 28 days with consistency of 9 to 12 cm, indicating adequate consistency and increased strength. In addition, the combination of low porosity, absorption and voids suggested improved durability.

  10. Independency of Elasticity on Residual Stress of Room Temperature Rolled Stainless Steel 304 Plates for Structure Materials

    Directory of Open Access Journals (Sweden)

    Parikin Parikin

    2015-12-01

    Full Text Available Mechanical strengths of materials are widely expected in general constructions of any building. These properties depend on its formation (cold/hot forming during fabrication. This research was carried out on cold-rolled stainless steel (SS 304 plates, which were deformed to 0, 34, 84, and 152% reduction in thickness. The tests were conducted using Vickers method. Ultra micro indentation system (UMIS 2000 was used to determine the mechanical properties of the material, i.e.: hardness, modulus elasticity, and residual stresses. The microstructures showed lengthening outcropping due to stress corrosion cracking for all specimens. It was found that the tensile residual stress in a specimen was maximum, reaching 442 MPa, for a sample reducing 34% in thickness and minimum; and about 10 MPa for a 196% sample. The quantities showed that the biggest residual stress caused lowering of the proportional limit of material in stress-strain curves. The proportional modulus elasticity varied between 187 GPa and of about 215 GPa and was free from residual stresses.

  11. Determination of Structural Parameters from EXAFS (Extended X-Ray Absorption Fine Structure): Application to Solutions and Catalysts.

    Science.gov (United States)

    1984-05-23

    the disorder was accurately known. Inverse Transform To isolate the EAFS contribution due to a single feature in the Fourier transform, the inverse ...is associated with setting the "fold" components to 27 zero in r-space. An inverse transform (real part) of the major feature of the Fig. 4 Fourier...phase of the resulting inverse transform represents only any differences between the material being studied and the reference. This residual is

  12. Influence of formulation parameters on the texturing and and the structural evolution of geo-polymers

    International Nuclear Information System (INIS)

    Steins, Prune

    2014-01-01

    In the context of conditioning of nuclear waste, geo-polymers represent a potential alternative to conventional hydraulic binders. Currently, it is recognized that the formation of geo-polymer proceeds according to a mechanism of dissolution - restructuring - polymerization resulting in a solid material. Despite the availability of many studies to understand these mechanisms, the precise relationship between the chemical nature of the activating solution, the geo-polymerization process and the final microstructure should be determined from the point of view of the texturing and the structural evolution of the material. In this work, several parameters were studied: the nature of the alkali activator, the silica concentration and the addition of an aluminum source. It appears that the chemical environment of the silicate or aluminosilicate precursors is controlled by the activating solution composition. During the consolidation of the geo-polymer network, these precursors play an important role on the dissolution rate of meta kaolin, the size, the rearrangement and the aggregation of aluminosilicate oligomers involved in the porous solid network formation. Subsequently, some characteristics of the porous network which are controlled by the size and the rearrangement of oligomers vary slightly over time. The refinement of the porosity associated to first, a densification of the solid network, and secondly, a partial closure of the porosity at the nanometer scale leads to an increase in the pore size and a decrease of the pore volume. (author) [fr

  13. Proper Motions and Structural Parameters of the Galactic Globular Cluster M71

    Energy Technology Data Exchange (ETDEWEB)

    Cadelano, M.; Dalessandro, E.; Ferraro, F. R.; Miocchi, P.; Lanzoni, B.; Pallanca, C. [Dipartimento di Fisica e Astronomia, Università di Bologna, Viale Berti Pichat 6/2, I-40127 Bologna (Italy); Massari, D. [INAF—Osservatorio Astronomico di Bologna, Via Ranzani 1, I-40127 Bologna (Italy)

    2017-02-20

    By exploiting two ACS/ HST data sets separated by a temporal baseline of ∼7 years, we have determined the relative stellar proper motions (PMs; providing membership) and the absolute PM of the Galactic globular cluster M71. The absolute PM has been used to reconstruct the cluster orbit within a Galactic, three-component, axisymmetric potential. M71 turns out to be in a low-latitude disk-like orbit inside the Galactic disk, further supporting the scenario in which it lost a significant fraction of its initial mass. Since large differential reddening is known to affect this system, we took advantage of near-infrared, ground-based observations to re-determine the cluster center and density profile from direct star counts. The new structural parameters turn out to be significantly different from the ones quoted in the literature. In particular, M71 has a core and a half-mass radii almost 50% larger than previously thought. Finally, we estimate that the initial mass of M71 was likely one order of magnitude larger than its current value, thus helping to solve the discrepancy with the observed number of X-ray sources.

  14. Accounting for methodological, structural, and parameter uncertainty in decision-analytic models: a practical guide.

    Science.gov (United States)

    Bilcke, Joke; Beutels, Philippe; Brisson, Marc; Jit, Mark

    2011-01-01

    Accounting for uncertainty is now a standard part of decision-analytic modeling and is recommended by many health technology agencies and published guidelines. However, the scope of such analyses is often limited, even though techniques have been developed for presenting the effects of methodological, structural, and parameter uncertainty on model results. To help bring these techniques into mainstream use, the authors present a step-by-step guide that offers an integrated approach to account for different kinds of uncertainty in the same model, along with a checklist for assessing the way in which uncertainty has been incorporated. The guide also addresses special situations such as when a source of uncertainty is difficult to parameterize, resources are limited for an ideal exploration of uncertainty, or evidence to inform the model is not available or not reliable. for identifying the sources of uncertainty that influence results most are also described. Besides guiding analysts, the guide and checklist may be useful to decision makers who need to assess how well uncertainty has been accounted for in a decision-analytic model before using the results to make a decision.

  15. Effect of Process Parameters on the Structure and Properties of Galvanized Sheets

    Science.gov (United States)

    Shukla, S. K.; Saha, B. B.; Triathi, B. D.; Avtar, Ram

    2010-07-01

    The effect of galvanizing parameters on the structure (spangle size and coating microstructure) and properties (formability and corrosion resistance) of galvanized sheets was studied in a hot dip process simulator (HDPS) in a conventional Pb bearing (0.08-0.10%) zinc bath by varying zinc bath Al level (0.10-0.28%), bath temperature (718-743 K), dipping time (1.5-3.5 s), wiping gas flow rate (200-450 lpm), nozzle distance (15-17 mm) and wiping delay time (0.1-2.1 s). Al level in the range of 0.18-0.24% in combination with dipping time of 1.5-2.5 s and bath temperature of 718-733 K results in superior formability ( E cv: ~9.3 mm) of the composite (thickness: 0.8 mm). High post-dip cooling rates (~25 K/s) suppress spangle growth (spangle size: ~2 mm). The spangle size of the GI sheet strongly influences the corrosion rate which increases from 5.8 to 9.2 mpy with a decrease in spangle size from 17.5 to 3 mm. By controlling the Al level (0.20%) in zinc bath and bath temperature (733 K), the corrosion rate of mini-spangle GI sheet can be controlled to a level of 5.5 mpy.

  16. 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

  17. Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX

    Science.gov (United States)

    Fischer, Axel W.; Bordignon, Enrica; Bleicken, Stephanie; García-Sáez, Ana J.; Jeschke, Gunnar; Meiler, Jens

    2016-01-01

    Structure determination remains a challenge for many biologically important proteins. In particular, proteins that adopt multiple conformations often evade crystallization in all biologically relevant states. Although computational de novo protein folding approaches often sample biologically relevant conformations, the selection of the most accurate model for different functional states remains a formidable challenge, in particular, for proteins with more than about 150 residues. Electron paramagnetic resonance (EPR) spectroscopy can obtain limited structural information for proteins in well-defined biological states and thereby assist in selecting biologically relevant conformations. The present study demonstrates that de novo folding methods are able to accurately sample the folds of 192-residue long soluble monomeric Bcl-2-associated X protein (BAX). The tertiary structures of the monomeric and homodimeric forms of BAX were predicted using the primary structure as well as 25 and 11 EPR distance restraints, respectively. The predicted models were subsequently compared to respective NMR/X-ray structures of BAX. EPR restraints improve the protein-size normalized root-mean-square-deviation (RMSD100) of the most accurate models with respect to the NMR/crystal structure from 5.9 Å to 3.9 Å and from 5.7 Å to 3.3 Å, respectively. Additionally, the model discrimination is improved, which is demonstrated by an improvement of the enrichment from 5% to 15% and from 13% to 21%, respectively. PMID:27129417

  18. Modelos de regressão aleatória com diferentes estruturas de variância residual para descrever o tamanho da leitegada Random regression models with different residual variance structures for describing litter size in swine

    Directory of Open Access Journals (Sweden)

    Aderbal Cavalcante-Neto

    2011-12-01

    Full Text Available Objetivou-se comparar modelos de regressão aleatória com diferentes estruturas de variância residual, a fim de se buscar a melhor modelagem para a característica tamanho da leitegada ao nascer (TLN. Utilizaram-se 1.701 registros de TLN, que foram analisados por meio de modelo animal, unicaracterística, de regressão aleatória. As regressões fixa e aleatórias foram representadas por funções contínuas sobre a ordem de parto, ajustadas por polinômios ortogonais de Legendre de ordem 3. Para averiguar a melhor modelagem para a variância residual, considerou-se a heterogeneidade de variância por meio de 1 a 7 classes de variância residual. O modelo geral de análise incluiu grupo de contemporâneo como efeito fixo; os coeficientes de regressão fixa para modelar a trajetória média da população; os coeficientes de regressão aleatória do efeito genético aditivo-direto, do comum-de-leitegada e do de ambiente permanente de animal; e o efeito aleatório residual. O teste da razão de verossimilhança, o critério de informação de Akaike e o critério de informação bayesiano de Schwarz apontaram o modelo que considerou homogeneidade de variância como o que proporcionou melhor ajuste aos dados utilizados. As herdabilidades obtidas foram próximas a zero (0,002 a 0,006. O efeito de ambiente permanente foi crescente da 1ª (0,06 à 5ª (0,28 ordem, mas decrescente desse ponto até a 7ª ordem (0,18. O comum-de-leitegada apresentou valores baixos (0,01 a 0,02. A utilização de homogeneidade de variância residual foi mais adequada para modelar as variâncias associadas à característica tamanho da leitegada ao nascer nesse conjunto de dado.The objective of this work was to compare random regression models with different residual variance structures, so as to obtain the best modeling for the trait litter size at birth (LSB in swine. One thousand, seven hundred and one records of LSB were analyzed. LSB was analyzed by means of a

  19. Essential features of residual stress determination in thin-walled plane structures in a base of whole field interferometric measurements

    Science.gov (United States)

    Pisarev, Vladimir S.; Odintsev, I.; Balalov, V.; Apalkov, A.

    2003-05-01

    Sophisticated technique for reliable quantitative deriving residual stress values from initial experimental data, which are inherent in combined implementing the hole drilling method with both holographic and speckle interferometry, is described in detail. The approach developed includes both possible ways of obtaining initial experimental information. The first of them consists of recording a set of required interference fringe patterns, which are resulted from residual stress energy release after through hole drilling, in two orthogonal directions that coincide with principal strain directions. The second way is obtaining a series of interrelated fringe patterns when a direction of either observation in reflection hologram interferometry or dual-beam illumination in speckle interferometry lies arbitrary with respect to definite principal strain direction. A set of the most typical both actual and analogous reference fringe patterns, which are related to both reflection hologram and dual-beam speckle interferometry, are presented.

  20. The unique structural parameters of the underlying host galaxies in blue compact dwarfs

    International Nuclear Information System (INIS)

    Janowiecki, Steven; Salzer, John J.

    2014-01-01

    The nature of possible evolutionary pathways between various types of dwarf galaxies is still not fully understood. Blue compact dwarf galaxies (BCDs) provide a unique window into dwarf galaxy formation and evolution and are often thought of as an evolutionary stage between different classes of dwarf galaxies. In this study we use deep optical and near-infrared observations of the underlying hosts of BCDs in order to study the structural differences between different types of dwarf galaxies. When compared with dwarf irregular galaxies of similar luminosities, we find that the underlying hosts of BCDs have significantly more concentrated light distributions, with smaller scale lengths and brighter central surface brightnesses. We demonstrate here that the underlying hosts of BCDs are distinct from the broad continuum of typical dwarf irregular galaxies, and that it is unlikely that most dwarf irregular galaxies can transform into a BCD or vice versa. Furthermore, we find that the starburst in a BCD only brightens it on average by ∼0.8 mag (factor of two), in agreement with other studies. It appears that a BCD is a long-lived and distinct type of dwarf galaxy that exhibits an exceptionally concentrated matter distribution. We suggest that it is this compact mass distribution that enables the strong star formation events that characterize this class of dwarf galaxy, that the compactness of the underlying host can be used as a distinguishing parameter between BCDs and other dwarf galaxies, and that it can also be used to identify BCDs which are not currently experiencing an intense starburst event.

  1. Evidentials dizque and que in Spanish : Grammaticalization, parameters and the (fine structure of Comp

    Directory of Open Access Journals (Sweden)

    Violeta Demonte

    2013-01-01

    Full Text Available In this paper we study one type of Spanish que (the equivalent to the complementizer “that” that can be shown to belong into the crosslinguistically restricted list of evidentials. In particular, we will claim that it encodes the (most basic marks of nonfirst- hand or indirect (reported evidence. Our point of departure is certain (apparently independent clauses of Spanish headed by an overt complementizer (que. Some tests will be presented that support the idea that that one type of que introducing a well specified subset of root sentences shares most of the properties that have been claimed to characterize reportative evidentials in languages such as Quechua (Faller 2002, 2006. As for the properties of reportative que, it will be further shown that it does not encode any features related to epistemic modality (reliability or (improbability and we will propose that it is better analyzed as an illocutionary operator, affecting the illocutionary force (in line with Faller 2002 among others and not as an epistemic modal (Izvorsky 1997 among others. In order to determine the nature of this reportative element and its origin, we contrast it with an old Spanish form, dizque, which exists nowadays in certain modern American varieties. This particle also has the properties of an evidential but behaves as an epistemic modal. In the last sections, we will propose that both evidential particles (que and dizque are the result of a process of grammaticalization (i.e. ‘upward reanalysis’, or categorial change, of functional material, in the sense of Roberts and Roussou 2003 of the complex structure headed by a communication verb, dicen que “they say that”. We will tentatively describe such process and introduce a hypothesis as to the nature and role of the parameter involved in the claimed reanalysis

  2. A Comparison of Curing Process-Induced Residual Stresses and Cure Shrinkage in Micro-Scale Composite Structures with Different Constitutive Laws

    Science.gov (United States)

    Li, Dongna; Li, Xudong; Dai, Jianfeng; Xi, Shangbin

    2018-02-01

    In this paper, three kinds of constitutive laws, elastic, "cure hardening instantaneously linear elastic (CHILE)" and viscoelastic law, are used to predict curing process-induced residual stress for the thermoset polymer composites. A multi-physics coupling finite element analysis (FEA) model implementing the proposed three approaches is established in COMSOL Multiphysics-Version 4.3b. The evolution of thermo-physical properties with temperature and degree of cure (DOC), which improved the accuracy of numerical simulations, and cure shrinkage are taken into account for the three models. Subsequently, these three proposed constitutive models are implemented respectively in a 3D micro-scale composite laminate structure. Compared the differences between these three numerical results, it indicates that big error in residual stress and cure shrinkage generates by elastic model, but the results calculated by the modified CHILE model are in excellent agreement with those estimated by the viscoelastic model.

  3. Soil-gas phase transport and structure parameters for soils under different management regimes and at two moisture levels

    DEFF Research Database (Denmark)

    Eden, Marie; Møldrup, Per; Schjønning, Per

    2012-01-01

    Measurements of diffusive and convective gas transport parameters can be used to describe soil functional architecture and reveal key factors for soil structure development. Undisturbed 100-cm(3) soil samples were sampled at the Long-term Research on Agricultural Systems experiment located...... displayed markedly lower D-P/D-0 values at similar air-filled porosity, illustrating soil structure effects on D-P/D-0. The Currie tortuosity-connectivity parameter, X=Log(D-P/D-0)/Log(epsilon), decreased with increasing bulk density in the intact samples at both moisture conditions, suggesting less...

  4. Project on comparison of structural parameters and electron density maps of oxalic acid dihydrate

    NARCIS (Netherlands)

    Coppens, Philip; Dam, J.; Harkema, Sybolt; Feil, D.

    1984-01-01

    Results obtained from four X-ray and five neutron data sets collected under a project sponsored by the Commission on Charge, Spin and Momentum Densities are analyzed by comparison of thermal parameters, positional parameters and X - N electron density maps. Three sets of theoretical calculations are

  5. Directional radiative transfer by SCOPE, SLC and DART using laser scan derived structural forest parameters

    Science.gov (United States)

    Timmermans, Joris; Gastellu-Etchegorry, Jean Philippe; van der Tol, Christiaan; Verhoef, Wout; Vekerdy, Zoltan; Su, Zhongbo

    2017-04-01

    Accurate estimation of the radiative transfer (RT) over vegetation is the corner stone of agricultural and hydrological remote sensing applications. Present remote sensing sensors mostly use traditional optical, thermal and microwave observations. However with these traditional observations characterization of the light efficiency and photosynthetic rate can only be accomplished indirectly. A promising new method of observing these processes is by using the fluorescent emitted radiation. This approach was recently highlighted due to the selection of the FLEX sensor as a future Earth Explorer by the European Space agency (ESA). Several modelling activities have been undertaken to better understand the technical feasibilities of this sensor. Within these studies, the SCOPE model has been chosen as the baseline algorithm. This model combines a detailed RT description of the canopy, using a discrete version of the SAIL model, with a description of photosynthetic processes (by use of the Farquhar/Ball-Berry model). Consequently, this model is capable of simulating simultaneously the biophysical processes and jointly the fluorescent, optical and thermal RT. The SAIL model however is a 1D RT model and consequently provides higher uncertainties with increasing vegetation structures. The main objective of this research is to investigate the limitations of the RT model component of the SCOPE model over complex canopies. In particular the aim of this research is to evaluate the validity for increasingly structural complex canopies', on the bidirectional reflectance distribution functions (BRDF) of these canopies. This was accomplished by evaluating the simulated outgoing radiation from SCOPE/SAIL against simulations of the DART 3D RT model. In total nine different scenarios were simulated with the DART RTM with increasing structural complexity, ranging from the simple 'Plot' scenario to the highly complex 'Multiple Crown' scenario. The canopy parameters are retrieved from a

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  7. (1,3;1,4)-β-Glucan Biosynthesis by the CSLF6 Enzyme: Position and Flexibility of Catalytic Residues Influence Product Fine Structure.

    Science.gov (United States)

    Dimitroff, George; Little, Alan; Lahnstein, Jelle; Schwerdt, Julian G; Srivastava, Vaibhav; Bulone, Vincent; Burton, Rachel A; Fincher, Geoffrey B

    2016-04-05

    Cellulose synthase-like F6 (CslF6) genes encode polysaccharide synthases responsible for (1,3;1,4)-β-glucan biosynthesis in cereal grains. However, it is not clear how both (1,3)- and (1,4)-linkages are incorporated into a single polysaccharide chain and how the frequency and arrangement of the two linkage types that define the fine structure of the polysaccharide are controlled. Through transient expression in Nicotiana benthamiana leaves, two CSLF6 orthologs from different cereal species were shown to mediate the synthesis of (1,3;1,4)-β-glucans with very different fine structures. Chimeric cDNA constructs with interchanged sections of the barley and sorghum CslF6 genes were developed to identify regions of the synthase enzyme responsible for these differences. A single amino acid residue upstream of the TED motif in the catalytic region was shown to dramatically change the fine structure of the polysaccharide produced. The structural basis of this effect can be rationalized by reference to a homology model of the enzyme and appears to be related to the position and flexibility of the TED motif in the active site of the enzyme. The region and amino acid residue identified provide opportunities to manipulate the solubility of (1,3;1,4)-β-glucan in grains and vegetative tissues of the grasses and, in particular, to enhance the solubility of dietary fibers that are beneficial to human health.

  8. Dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations

    International Nuclear Information System (INIS)

    Do, Duy Minh; Gao, Wei; Song, Chongmin; Tangaramvong, Sawekchai

    2014-01-01

    This paper presents the non-deterministic dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations. Random ground acceleration from earthquake motion is adopted to illustrate the stochastic process force. The exact change ranges of natural frequencies, random vibration displacement and stress responses of structures are investigated under the interval analysis framework. Formulations for structural reliability are developed considering the safe boundary and structural random vibration responses as interval parameters. An improved particle swarm optimization algorithm, namely randomised lower sequence initialized high-order nonlinear particle swarm optimization algorithm, is employed to capture the better bounds of structural dynamic characteristics, random vibration responses and reliability. Three numerical examples are used to demonstrate the presented method for interval random vibration analysis and reliability assessment of structures. The accuracy of the results obtained by the presented method is verified by the randomised Quasi-Monte Carlo simulation method (QMCSM) and direct Monte Carlo simulation method (MCSM). - Highlights: • Interval uncertainty is introduced into structural random vibration responses. • Interval dynamic reliability assessments of structures are implemented. • Boundaries of structural dynamic response and reliability are achieved

  9. 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

  10. 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.

  11. Solid residues

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  12. Structural Characterization and Antioxidative Activity of Low-Molecular-Weights Beta-1,3-Glucan from the Residue of Extracted Ganoderma lucidum Fruiting Bodies

    Directory of Open Access Journals (Sweden)

    Pai-Feng Kao

    2012-01-01

    Full Text Available The major cell wall constituent of Ganoderma lucidum (G. lucidum is β-1,3-glucan. This study examined the polysaccharide from the residues of alkaline-extracted fruiting bodies using high-performance anion-exchange chromatography (HPAEC, and it employed nuclear magnetic resonance (NMR and mass spectrometry (MS to confirm the structures. We have successfully isolated low-molecular-weight β-1,3-glucan (LMG, in high yields, from the waste residue of extracted fruiting bodies of G. lucidum. The 3-(4,5-dimethylthiazol-2-yl-2,5-diphenyl tetrazolium bromide (MTT assay evaluated the capability of LMG to suppress H2O2-induced cell death in RAW264.7 cells, identifying that LMG protected cells from H2O2-induced damage. LMG treatment decreased H2O2-induced intracellular reactive oxygen species (ROS production. LMG also influenced sphingomyelinase (SMase activity, stimulated by cell death to induce ceramide formation, and then increase cell ROS production. Estimation of the activities of neutral and acid SMases in vitro showed that LMG suppressed the activities of both neutral and acid SMases in a concentration-dependent manner. These results suggest that LMG, a water-soluble β-1,3-glucan recycled from extracted residue of G. lucidum, possesses antioxidant capability against H2O2-induced cell death by attenuating intracellular ROS and inhibiting SMase activity.

  13. Estimating material parameters of a structurally based constitutive relation for skin mechanics

    KAUST Repository

    Jor, Jessica W. Y.; Nash, Martyn P.; Nielsen, Poul M. F.; Hunter, Peter J.

    2010-01-01

    This paper presents a structurally based modeling framework to characterize the structure-function relation in skin tissues, based upon biaxial tensile experiments performed in vitro on porcine skin. Equi-axial deformations were imposed

  14. Magnetic phase transitions with incommensurate structures in systems with coupled order parameters

    International Nuclear Information System (INIS)

    Izyumov, Yu.A.; Laptev, V.M.; Petrov, S.B.

    1984-01-01

    Modulated magnetic phases are investigated for the case when symmetry does not allow linear by gradients Lifshits invariants and magnetic momenta are converted by two irreducible representations. Possible phase diagrams with participation of incommensurable phases are plotted on the base of Ginsburg-Landau functional for 2 bound parameters of the order. The role of the highest harmonics in spatial distribution of the order parameters is clarified on the example of magnetic phase transitions in Er

  15. Extraction of optical parameters of thin films from spectral measurements for design and optical performance of multilayer structures

    International Nuclear Information System (INIS)

    Muellerova, J.; Jurecka, S.; Kucerova, A.

    2003-01-01

    Optical parameters of a-Si:H and indium tin oxide (ITO) thin films deposited on glass substrates are determined from spectral measurements of reflectance and/or transmittance. It is shown how important the exact knowledge of optical parameters as well as thicknesses of the layers for the design and the optical performance of multilayer structures is. The model of the p-i-n based a:Si-H solar cell with ITO as transparent conductive oxide layer is used for illustrating. The modeling of the solar cell integral reflectance in the spectral region of (650-830) nm is used as a criterion to reverse engineering of a multilayer structure with suppressed reflectance losses. The reflectance of a solar cell is modelled and the simulation of the varying optical parameters of individual layers including their thicknesses is discussed. Besides this,the advantage of using an antireflective layer under ITO is discussed (Authors)

  16. Evaluation of liquid fragility and thermal stability of Al-based metallic glasses by equivalent structure parameter

    International Nuclear Information System (INIS)

    Li Xuelian; Bian Xiufang; Hu Lina

    2010-01-01

    Based on extended Ideal-Atomic-Packing model, we propose an equivalent structure parameter '6x+11y' to evaluate fragility and thermal stability of Al-TM-RE metallic glasses, where x and y are composition concentrations of transition metal (TM) and rare earth (RE), respectively. Experimental results show that glass forming compositions with '6x+11y' near 100 have the smallest fragility parameter and best structure stability. In addition, '6x+11y' parameter has a positive relationship with onset-crystallization temperature, T x . Al-TM-RE glassy alloys with (6x+11y)≤100 undergo primary crystallization of fcc-Al nanocrystals, while alloys with (6x+11y)>100 exhibit nanoglassy or glassy crystallization behavior.

  17. Coupling structure in LED System-In-Package design: a physical responses-based critical parameter sheet like approach

    NARCIS (Netherlands)

    Borst, de E.C.M.; Gielen, A.W.J.; Etman, L.F.P.

    2012-01-01

    Abstract This paper introduces an approach to study the coupling structure between the design parameters and design objectives of a LED system-in-package (SiP) design concept [1]. The LED SiP is an integrated device that combines the LED chip with driver chips and potential other components in a

  18. Coupling structure in LED System-in-Package design: a physical responses-based critical parameter sheet like approach

    NARCIS (Netherlands)

    Borst, E.C.M. de; Gielen, A.W.J.; Etman, L.F.P.

    2012-01-01

    This paper introduces an approach to study the coupling structure between the design parameters and design objectives of a LED system-in-package (SiP) design concept [1]. The LED SiP is an integrated device that combines the LED chip with driver chips and potential other components in a single

  19. Variance in water chemistry parameters in isolated wetlands of Florida, USA, and relationships with macroinvertebrate and diatom community structure

    Science.gov (United States)

    Eighty small isolated wetlands throughout Florida were sampled in 2005 to explore within-site variability of water chemistry parameters and relate water chemistry to macroinvertebrate and diatom community structure. Three samples or measures of water were collected within each si...

  20. Complex of structural roentgenometric and optical parameters of chest X-ray picture for automated fluorograms processing

    International Nuclear Information System (INIS)

    Rodzaevskij, S.A.

    1986-01-01

    The formalized description necessary for the development of algorithms for determination of main object boundaries by the roentgenologic picture during computerized photoroentgenograms processing is drawn up on the basis of the complex of structural roentgenometric parameters of the chest X-ray picture

  1. The effect of fabric structural parameters and fiber type on the comfort-related properties of commercial apparel fabrics

    CSIR Research Space (South Africa)

    Stoffberg, ME

    2015-10-01

    Full Text Available The effect of fabric structural parameters and fiber type on the comfort-related properties, namely water vapor resistance and thermal resistance, of commercial apparel (suiting) fabrics, containing both natural and man-made fibers have been studied...

  2. Structural parameter based modification of energy conscious ESPAR antenna system through optimization for WLAN’s dual-band operability

    CSIR Research Space (South Africa)

    Bembe, MJ

    2010-11-01

    Full Text Available single device. In this study the focus is on the modification of the antenna designs for dual-band functionality which is limited on the ESPAR antenna’s structural parameter. This modification should result in an antenna system which operates in both 2...

  3. Residual stress analysis of a multi-layer thin film structure by destructive (curvature) and non-destructive (x-ray) methods

    International Nuclear Information System (INIS)

    Chen, P.C.; Oshida, Y.

    1989-01-01

    Multi-layer thin film which has structure of Cu/Cr/K/Cr/Cu prepared by sputtering process was analyzed for interfacial stresses for as-deposited conditions. This structure was also annealed at 150 degrees C, and 350 degrees C for around 15 min. in a vacuum and cooled slowly down for stress analyses. Equations for residual stress estimations for homogeneous material system using layer removal technique (stress relief) is now applied for inhomogeneous system (multi-layer structure). The results are compared with the data obtained from x-ray diffraction technique by using sin 2 Ψ - 2 θ method, for Cu layer. From the present analyses, the data obtained using layer removal seem to be qualitatively consistent with but not quantitatively in agreement with x-ray method

  4. Effect of thickness on structure, microstructure, residual stress and soft magnetic properties of DC sputtered Fe65Co35 soft magnetic thin films

    International Nuclear Information System (INIS)

    Prasanna Kumari, T.; Manivel Raja, M.; Kumar, Atul; Srinath, S.; Kamat, S.V.

    2014-01-01

    The effect of film thickness on structure, microstructure, residual stress and soft magnetic properties of Fe 65 Co 35 thin films deposited on Si(001) and MgO(001) substrates was investigated by varying film thickness from 30 to 600 nm. X-ray diffraction studies showed that the FeCo films are polycrystalline in the as-deposited condition irrespective of deposition on Si or MgO substrate. The microstructure of films consisted of spherical grains for 30 nm film thickness and columnar grains for all other film thicknesses. The grain size for the films was found to increase from 15 to 50 nm with increasing film thickness. The sputtered films also exhibited tensile residual stresses with the magnitude of stress decreasing with increasing film thickness. The Fe 65 Co 35 films deposited on both substrates also exhibited very good in-plane soft magnetic properties with a saturation magnetization 4πM s of ∼23.6–23.8 kG and coercivity of ∼27–30 Oe without any under-layer only for films with thickness of 30 nm. For all other thicknesses, these films exhibited a significantly higher coercivity. The observed variations in soft magnetic properties with film thickness were explained in terms of residual stress and microstructure of the films. - Highlights: • Spherical grain morphology transformed to columnar above 30 nm film thickness. • Sputtered films exhibited tensile residual stresses decreasing with film thickness. • An in-plane coercivity of ∼27–30 Oe was achieved without any under-layer

  5. 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.

  6. An Independent Asteroseismic Analysis of the Fundamental Parameters and Internal Structure of the Solar-like Oscillator KIC 6225718

    Science.gov (United States)

    Wu, Tao; Li, Yan

    2017-09-01

    Asteroseismology is a useful tool that is usually used to probe stellar interiors and to determine stellar fundamental parameters, such as stellar mass, radius, and surface gravity. In order to probe stellar interiors, making comparisons between observations and models is usually used with the {χ }2-minimization method. The work of Wu & Li reported that the best parameter determined by the {χ }2-matching process is the acoustic radius for pure p-mode oscillations. In the present work, based on the theoretical calculations of Wu & Li, we will independently analyze the seismic observations of KIC 6225718 to determine its fundamental parameters and to investigate its interior properties. First, in order to test the method, we use it in the Sun to determine its fundamental parameters and to investigate interiors. Second, we independently determine the fundamental parameters of KIC 6225718 without any other non-seismic constraint. Therefore, those determined fundamental parameters are independent of those determined by other methods. They can be regarded as independent references in other analyses. Finally, we analyze the stellar internal structure and find that KIC 6225718 has a convective core with the size of 0.078-0.092 {R}⊙ . Its overshooting parameter {f}{ov} in the core is around 0.010. In addition, its center hydrogen {X}{{c}} is about 0.264-0.355.

  7. Structural characterization of product ions by electrospray ionization and quadrupole time-of-flight mass spectrometry to support regulatory analysis of veterinary drug residues in foods Part 2: Benzimidazoles nitromidaz.....

    Science.gov (United States)

    RATIONALE: Analysis for identification and quantification of regulated veterinary drug residues in foods are usually achieved by liquid chromatography coupled to tandem mass spectrometry. The instrument method requires the selection of characteristic ions, but structure elucidation is seldom perform...

  8. Probabilistic Design of Wind Turbine Structures: Design Studies and Sensitivities to Model Parameters

    DEFF Research Database (Denmark)

    NJOMO WANDJI, Wilfried

    : decrease of conservatism level, improvement of design procedures, and development of innovative structural systems that suit well for large wind turbines. The increasing size of the structure introduces new problems that were not present for small structures. These problems include: (i) the preparation...... substructures. In addition to being aggressive, conditions for offshore environments and the associated models are highly uncertain. Appropriate statistical methodologies should be used in order to design robust structures, which are structures whose engineering performance is not significantly affected....... These research areas are differentially implemented through tasks on various wind turbine structures (shaft, jacket, semi-floater, monopile, and grouted joint). In particular the following research questions are answered: How are extreme and fatigue loads on a given structure influenced by the design of other...

  9. XRD Analysis of Nanocrystalline Anatase Powders Prepared by Various Chemical Routes: Correlations between Micro-structure and Crystal Structure Parameters

    Czech Academy of Sciences Publication Activity Database

    Matěj, Z.; Matějová, Lenka; Kužel, R.

    2013-01-01

    Roč. 28, Suppl. 2 (2013), s. 161-183 ISSN 0885-7156 Grant - others:UK(CZ) UNCE 204023/2012; MŠk(CZ) GAP108/11/1539 Institutional support: RVO:67985858 Keywords : anatase * crystallite size * lattice parameters * XRD * vacancies * anisotropy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.586, year: 2013

  10. 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

  11. 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

  12. Line-feature-based calibration method of structured light plane parameters for robot hand-eye system

    Science.gov (United States)

    Qi, Yuhan; Jing, Fengshui; Tan, Min

    2013-03-01

    For monocular-structured light vision measurement, it is essential to calibrate the structured light plane parameters in addition to the camera intrinsic parameters. A line-feature-based calibration method of structured light plane parameters for a robot hand-eye system is proposed. Structured light stripes are selected as calibrating primitive elements, and the robot moves from one calibrating position to another with constraint in order that two misaligned stripe lines are generated. The images of stripe lines could then be captured by the camera fixed at the robot's end link. During calibration, the equations of two stripe lines in the camera coordinate system are calculated, and then the structured light plane could be determined. As the robot's motion may affect the effectiveness of calibration, so the robot's motion constraints are analyzed. A calibration experiment and two vision measurement experiments are implemented, and the results reveal that the calibration accuracy can meet the precision requirement of robot thick plate welding. Finally, analysis and discussion are provided to illustrate that the method has a high efficiency fit for industrial in-situ calibration.

  13. Thermotropic resin systems. Relationships between formulation parameters, material structure and optical properties

    Energy Technology Data Exchange (ETDEWEB)

    Resch, Katharina [Polymer Competence Center Leoben GmbH, Leoben (Austria); Wallner, Gernot M. [Univ. of Leoben (Austria)

    2008-07-01

    This paper focuses on a comprehensive characterization of various thermotropic resins under polymer physical aspects. Numerous thermotropic layers were produced under systematic variation of resin base, thermotropic additives and additive concentration. A detailed investigation of optical properties, switching temperature, switching process and residual transmittance was performed with a UV/Vis/NIR spectrophotometer. Switching temperatures are compared with thermal transitions in the material determined by Differential Scanning Calorimetry (DSC). Whereas the different film types show a direct solar transparency between 64 and 83% in the clear state, the direct solar transmittance decreases to values of about 27% to 80% above the switching temperature. In general the thermotropic resins are characterized by a steep and rapid switching process. The switching temperature can be adapted by varying the additives. The comparison of films thermal transitions with the switching performance reveals a good correlation. (orig.)

  14. Assessment of structural model and parameter uncertainty with a multi-model system for soil water balance models

    Science.gov (United States)

    Michalik, Thomas; Multsch, Sebastian; Frede, Hans-Georg; Breuer, Lutz

    2016-04-01

    Water for agriculture is strongly limited in arid and semi-arid regions and often of low quality in terms of salinity. The application of saline waters for irrigation increases the salt load in the rooting zone and has to be managed by leaching to maintain a healthy soil, i.e. to wash out salts by additional irrigation. Dynamic simulation models are helpful tools to calculate the root zone water fluxes and soil salinity content in order to investigate best management practices. However, there is little information on structural and parameter uncertainty for simulations regarding the water and salt balance of saline irrigation. Hence, we established a multi-model system with four different models (AquaCrop, RZWQM, SWAP, Hydrus1D/UNSATCHEM) to analyze the structural and parameter uncertainty by using the Global Likelihood and Uncertainty Estimation (GLUE) method. Hydrus1D/UNSATCHEM and SWAP were set up with multiple sets of different implemented functions (e.g. matric and osmotic stress for root water uptake) which results in a broad range of different model structures. The simulations were evaluated against soil water and salinity content observations. The posterior distribution of the GLUE analysis gives behavioral parameters sets and reveals uncertainty intervals for parameter uncertainty. Throughout all of the model sets, most parameters accounting for the soil water balance show a low uncertainty, only one or two out of five to six parameters in each model set displays a high uncertainty (e.g. pore-size distribution index in SWAP and Hydrus1D/UNSATCHEM). The differences between the models and model setups reveal the structural uncertainty. The highest structural uncertainty is observed for deep percolation fluxes between the model sets of Hydrus1D/UNSATCHEM (~200 mm) and RZWQM (~500 mm) that are more than twice as high for the latter. The model sets show a high variation in uncertainty intervals for deep percolation as well, with an interquartile range (IQR) of

  15. J-UNIO protocol used for NMR structure determination of the 206-residue protein NP-346487.1 from Streptococcus pneumoniae TIGR4

    Energy Technology Data Exchange (ETDEWEB)

    Jaudzems, Kristaps [Latvian Institute of Organic Synthesis (Latvia); Pedrini, Bill [Paul Scherrer Institute (PSI), SwissFEL Project (Switzerland); Geralt, Michael; Serrano, Pedro; Wüthrich, Kurt, E-mail: wuthrich@scripps.edu [The Scripps Research Institute, Department of Integrative Structural and Computational Biology (United States)

    2015-01-15

    The NMR structure of the 206-residue protein NP-346487.1 was determined with the J-UNIO protocol, which includes extensive automation of the structure determination. With input from three APSY-NMR experiments, UNIO-MATCH automatically yielded 77 % of the backbone assignments, which were interactively validated and extended to 97 %. With an input of the near-complete backbone assignments and three 3D heteronuclear-resolved [{sup 1}H,{sup 1}H]-NOESY spectra, automated side chain assignment with UNIO-ATNOS/ASCAN resulted in 77 % of the expected assignments, which was extended interactively to about 90 %. Automated NOE assignment and structure calculation with UNIO-ATNOS/CANDID in combination with CYANA was used for the structure determination of this two-domain protein. The individual domains in the NMR structure coincide closely with the crystal structure, and the NMR studies further imply that the two domains undergo restricted hinge motions relative to each other in solution. NP-346487.1 is so far the largest polypeptide chain to which the J-UNIO structure determination protocol has successfully been applied.

  16. Parameter analysis on the temperature and thermal stress of the cylindrical structure with multiple holes

    International Nuclear Information System (INIS)

    Kang, Y. H.; Lee, Y. S.; Choi, Y. J.

    2001-01-01

    During fuel irradiation tests in the in-core of HANARO, all components of the capsule with multiple holes act as heat sources due to high gamma and fission heat. In the design stage, a series of design parameter study were performed to confirm the thermal integrity of the capsule with multiple holes. The main parameter reviewed in this study are as follows: the position of the specimen, the thickness of the support tube and gap size. From the analysis performed by using of the FEM code ANSYS. it is confirmed that gap size effect on the capsule is one of the most important parameter of the capsule integrity. And the final thermal stress and displacement of the support tube with a increase of gap size are also under the allowable limits of ASME code

  17. Kinetic parameters of nitridation of molybdenum and niobium alloys with various structure states

    International Nuclear Information System (INIS)

    Solodkin, G.A.; Bulgach, A.A.; Likhacheva, T.E.

    1985-01-01

    Effect of preliminary plastic strain under rolling on kinetic parameters of nitridation of VN-2AEh, VN-3 niobium alloys and molybdenum alloy with hafnium is investigated. Extreme character of dependence of kinetic parameters of nitridation on the degree of reduction under rolling is determined. Preliminary plastic strain at negligible reduction is shown to accelerate growth of the zone of internal nitridation and decelerates growth of the nitride zone. Nitrogen atom removal from the surface to the centre is retarded at the increase of the degree of reduction up to 50% and higher. The degree of deformations is the higher the lower nitridation temperature is

  18. 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

  19. An inverse analysis of weak structural plane parameters for a limestone foundation pit based on critical stability

    Science.gov (United States)

    yan, LIU Jun; hua, SONG Xiang; Yan, LIU

    2017-11-01

    The article uses the Fast Lagrangian Analysis of Continua in 3 Dimensions (FLAC3D) to make an analysis of the deformation characteristics of the structural plane, which is based on a real rock foundation pit in Jinan city. It makes an inverse analysis of the strength of the surface structure and the occurrence of the parameters by Mohr-Coulomb strength criterion value criterion in the way of numerical simulation, which explores the change of stress field of x-z oblique section of pit wall and the relation between the exposed height of structural plane and the critical cohesion, the exposed height and critical inclination angle of the structure surface. We can find that when the foundation pit is in the critical stable state and the inclination angle of the structural plane is constant, the critical cohesive force of the structural plane increases with the increase of the exposed surface height. And when the foundation pit in the critical stability of the situation and the structural surface of the cohesive force is constant, the structural surface exposed height increases and the structural angle of inclination is declining. The conclusion can provide theoretical basis for the design and construction of the rock foundation pit with structural plane.

  20. The atomization and the flame structure in the combustion of residual fuel oils; La atomizacion y estructura de flama en la combustion de combustibles residuales

    Energy Technology Data Exchange (ETDEWEB)

    Bolado Estandia, Ramon [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1986-12-31

    In this article a research on the combustion of heavy residual fuel oils is presented. The type of flames studied were obtained by means of the burning of sprays produced by an atomizer designed and calibrated specially for the research purpose. The flame characteristics that were analyzed are its length, its luminosity, the temperature, the distribution of the droplets size and mainly the burning regime of the droplets in the flame. The experimental techniques that were used for these studies were shadow micro-photography, suction pyrometry and of total radiation, laser diffraction, 35 mm photography, and impact push. The analysis of the experimental results, together with the results of the application of a mathematical model, permitted to establish two parameters, that quantitatively related determine the burning regime of the droplets in a flame of sprays of residual heavy fuel oil. [Espanol] En este articulo se presenta una investigacion sobre la combustion de combustibles residuales pesados. El tipo de flamas estudiadas se obtuvieron mediante el quemado de sprays producidos por un atomizador disenado y calibrado especialmente para el proposito de la investigacion. Las caracteristicas de flama que se analizaron son la longitud, la luminosidad, la temperatura, la distribucion de tamano de gotas y, principalmente, el regimen de quemado de gotas en la flama. Las tecnicas experimentales que se usaron para estos estudios fueron microfotografia de sombras, pirometria de succion y de radiacion total, difraccion laser, fotografia de 35 mm y empuje de impacto. El analisis de resultados experimentales, junto con los resultados de la aplicacion de un modelo matematico, permitio establecer dos parametros, que relacionados cuantitativamente, determinan el regimen de quemado de gotas en una flama de sprays de combustible residual pesado.

  1. The atomization and the flame structure in the combustion of residual fuel oils; La atomizacion y estructura de flama en la combustion de combustibles residuales

    Energy Technology Data Exchange (ETDEWEB)

    Bolado Estandia, Ramon [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1985-12-31

    In this article a research on the combustion of heavy residual fuel oils is presented. The type of flames studied were obtained by means of the burning of sprays produced by an atomizer designed and calibrated specially for the research purpose. The flame characteristics that were analyzed are its length, its luminosity, the temperature, the distribution of the droplets size and mainly the burning regime of the droplets in the flame. The experimental techniques that were used for these studies were shadow micro-photography, suction pyrometry and of total radiation, laser diffraction, 35 mm photography, and impact push. The analysis of the experimental results, together with the results of the application of a mathematical model, permitted to establish two parameters, that quantitatively related determine the burning regime of the droplets in a flame of sprays of residual heavy fuel oil. [Espanol] En este articulo se presenta una investigacion sobre la combustion de combustibles residuales pesados. El tipo de flamas estudiadas se obtuvieron mediante el quemado de sprays producidos por un atomizador disenado y calibrado especialmente para el proposito de la investigacion. Las caracteristicas de flama que se analizaron son la longitud, la luminosidad, la temperatura, la distribucion de tamano de gotas y, principalmente, el regimen de quemado de gotas en la flama. Las tecnicas experimentales que se usaron para estos estudios fueron microfotografia de sombras, pirometria de succion y de radiacion total, difraccion laser, fotografia de 35 mm y empuje de impacto. El analisis de resultados experimentales, junto con los resultados de la aplicacion de un modelo matematico, permitio establecer dos parametros, que relacionados cuantitativamente, determinan el regimen de quemado de gotas en una flama de sprays de combustible residual pesado.

  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. Statistical Analysis of Input Parameters Impact on the Modelling of Underground Structures

    Directory of Open Access Journals (Sweden)

    M. Hilar

    2008-01-01

    Full Text Available The behaviour of a geomechanical model and its final results are strongly affected by the input parameters. As the inherent variability of rock mass is difficult to model, engineers are frequently forced to face the question “Which input values should be used for analyses?” The correct answer to such a question requires a probabilistic approach, considering the uncertainty of site investigations and variation in the ground. This paper describes the statistical analysis of input parameters for FEM calculations of traffic tunnels in the city of Prague. At the beginning of the paper, the inaccuracy in the geotechnical modelling is discussed. In the following part the Fuzzy techniques are summarized, including information about an application of the Fuzzy arithmetic on the shotcrete parameters. The next part of the paper is focused on the stochastic simulation – Monte Carlo Simulation is briefly described, Latin Hypercubes method is described more in details. At the end several practical examples are described: statistical analysis of the input parameters on the numerical modelling of the completed Mrázovka tunnel (profile West Tunnel Tube km 5.160 and modelling of the constructed tunnel Špejchar – Pelc Tyrolka. 

  4. Bifurcation structure of parameter plane for a family of unimodal piecewise smooth maps: Border-collision bifurcation curves

    International Nuclear Information System (INIS)

    Sushko, Iryna; Agliari, Anna; Gardini, Laura

    2006-01-01

    We study the structure of the 2D bifurcation diagram for a two-parameter family of piecewise smooth unimodal maps f with one break point. Analysing the parameters of the normal form for the border-collision bifurcation of an attracting n-cycle of the map f, we describe the possible kinds of dynamics associated with such a bifurcation. Emergence and role of border-collision bifurcation curves in the 2D bifurcation plane are studied. Particular attention is paid also to the curves of homoclinic bifurcations giving rise to the band merging of pieces of cyclic chaotic intervals

  5. Extraction of optical scattering parameters and attenuation compensation in optical coherence tomography images of multi-layered tissue structures

    DEFF Research Database (Denmark)

    Thrane, Lars; Frosz, Michael Henoch; Tycho, Andreas

    2004-01-01

    A recently developed analytical optical coherence tomography (OCT) model [Thrane et al., J. Opt. Soc. Am. A 17, 484 (2000)] allows the extraction of optical scattering parameters from OCT images, thereby permitting attenuation compensation in those images. By expanding this theoretical model, we...... have developed a new method for extracting optical scattering parameters from multilayered tissue structures in vivo. To verify this, we used a Monte Carlo (MC) OCT model as a numerical phantom to simulate the OCT signal for het-erogeneous multilayered tissue. Excellent agreement between the extracted......, and the results hold promise for expanding the functional imaging capabilities of OCT....

  6. Problems in measurements of parameters of elements and structures in modern micro- and nanoelectronics considering TiN/Ti diffusion barrier structures as an example

    Science.gov (United States)

    Smirnov, D. I.; Giniyatyllin, R. M.; Zyul'kov, I. Yu.; Medetov, N. A.; Gerasimenko, N. N.

    2013-07-01

    Results of a comprehensive analysis of process variables of TiN/Ti diffuse barrier structures used in modern microelectronics are presented. To provide reliable spectral ellipsometry results, which is a common technique for postprocess control of these structures during the testing stage of the manufacturing process, a comprehensive approach is suggested that consists in consistent processing of transmission electron microscopy and X-ray reflectometry data. The resulting data were used to calculate the variances of optical coefficients of spectral ellipsometry, which depend on features of the manufacturing process and are required for analysis of the parameters of manufactured diffuse barrier structures.

  7. Structure-function relationship of a plant NCS1 member - Homology modeling and mutagenesis identified residues critical for substrate specificity of PLUTO, a nucleobase transporter from arabidopsis

    KAUST Repository

    Witz, Sandra

    2014-03-12

    Plastidic uracil salvage is essential for plant growth and development. So far, PLUTO, the plastidic nucleobase transporter from Arabidopsis thaliana is the only known uracil importer at the inner plastidic membrane which represents the permeability barrier of this organelle. We present the first homology model of PLUTO, the sole plant NCS1 member from Arabidopsis based on the crystal structure of the benzyl hydantoin transporter MHP1 from Microbacterium liquefaciens and validated by molecular dynamics simulations. Polar side chains of residues Glu-227 and backbones of Val-145, Gly-147 and Thr-425 are proposed to form the binding site for the three PLUTO substrates uracil, adenine and guanine. Mutational analysis and competition studies identified Glu-227 as an important residue for uracil and to a lesser extent for guanine transport. A differential response in substrate transport was apparent with PLUTO double mutants E227Q G147Q and E227Q T425A, both of which most strongly affected adenine transport, and in V145A G147Q, which markedly affected guanine transport. These differences could be explained by docking studies, showing that uracil and guanine exhibit a similar binding mode whereas adenine binds deep into the catalytic pocket of PLUTO. Furthermore, competition studies confirmed these results. The present study defines the molecular determinants for PLUTO substrate binding and demonstrates key differences in structure-function relations between PLUTO and other NCS1 family members. 2014 Witz et al.

  8. The stress characteristics of plate-fin structures at the different operation parameters of LNG heat exchanger

    Directory of Open Access Journals (Sweden)

    Ma Hongqiang

    2018-01-01

    Full Text Available In this paper, the stresses of plate-fin structures at the different operation parameters were analyzed in actual operation process of LNG plate-fin heat exchanger based on finite element method and thermal elastic theory. Stress characteristics of plate-fin structures were investigated at the different operation parameters of that. The results show that the structural failure of plate-fin structures is mainly induced by the maximum shear stress at the brazing filler metal layer between plate and fin while by the maximum normal stress in the region of brazed joint near the fin side. And a crack would initiate in brazed joint near the fin side. The maximum normal stress is also main factor to result in the structural failure of plate-fin structures at the different temperature difference (between Natural Gas (NG and Mixture Refrigerant (MR, MR temperature and NG pressure of LNG heat exchanger. At the same time, the peak stresses obviously increase as the temperature difference, MR temperature and NG pressure increase. These results will provide some constructive instructions in the safe operation of LNG plate-fin heat exchanger in a large-scale LNG cold-box.

  9. Structural model of a putrescine-cadaverine permease from Trypanosoma cruzi predicts residues vital for transport and ligand binding

    NARCIS (Netherlands)

    Soysa, R.; Venselaar, H.; Poston, J.; Ullman, B.; Hasne, M.P.

    2013-01-01

    The TcPOT1.1 gene from Trypanosoma cruzi encodes a high affinity putrescine-cadaverine transporter belonging to the APC (amino acid/polyamine/organocation) transporter superfamily. No experimental three-dimensional structure exists for any eukaryotic member of the APC family, and thus the structural

  10. Effect of RF Parameters on Breakdown Limits in High-Vacuum X-Band Structures

    International Nuclear Information System (INIS)

    Dolgashev, Valery A.

    2003-01-01

    RF breakdown is one of the major factors determining performance of high power rf components and rf sources. RF breakdown limits working power and produces irreversible surface damage. The breakdown limit depends on the rf circuit, structure geometry, and rf frequency. It is also a function of the input power, pulse width, and surface electric and magnetic fields. In this paper we discuss multi-megawatt operation of X-band rf structures at pulse width on the order of one microsecond. These structures are used in rf systems of high gradient accelerators. Recent experiments at Stanford Linear Accelerator Center (SLAC) have explored the functional dependence of breakdown limit on input power and pulse width. The experimental data covered accelerating structures and waveguides. Another breakdown limit of accelerating structures was associated with high magnetic fields found in waveguide-to-structure couplers. To understand and quantify these limits we simulated 3D structures with the electrodynamics code Ansoft HFSS and the Particle-In-Cell code MAGIC3D. Results of these simulations together with experimental data will be discussed in this paper

  11. Slurry dispersion state as a parameter to control internal structure of alumina green compact

    Energy Technology Data Exchange (ETDEWEB)

    Saito, M.; Shui, A.; Tanaka, S.; Uchida, N.; Uematsu, K. [Nagaoka Univ. of Technology, Niigata (Japan)

    2002-07-01

    The dispersion state of slurry must be controlled to produce granules with appropriated properties for pressing. In this study dispersion state of alumina slurry is changed to form granules with different morphology, deformation property and packing density, and the influence on the internal structure of green compact are presented. Novel methods applying liquid immersion technique coupled with different type of microscopy were used to characterize the internal structures of green compacts. Two types of granules were obtained: dimpled, hard and dense granule, and spherical, soft and loose granule. The respective internal structures of green compacts were totally different. (orig.)

  12. Identification of the structure parameters using short-time non-stationary stochastic excitation

    Science.gov (United States)

    Jarczewska, Kamila; Koszela, Piotr; Śniady, PaweŁ; Korzec, Aleksandra

    2011-07-01

    In this paper, we propose an approach to the flexural stiffness or eigenvalue frequency identification of a linear structure using a non-stationary stochastic excitation process. The idea of the proposed approach lies within time domain input-output methods. The proposed method is based on transforming the dynamical problem into a static one by integrating the input and the output signals. The output signal is the structure reaction, i.e. structure displacements due to the short-time, irregular load of random type. The systems with single and multiple degrees of freedom, as well as continuous systems are considered.

  13. Use of three-dimensional parameters in the analysis of crystal structures under compression

    DEFF Research Database (Denmark)

    Balic Zunic, Tonci

    2007-01-01

    . For a complete understanding of structural changes, the behaviour of all coordination polyhedra plus the voids that separate them must be investigated. The structural voids in a framework are identified by a Voronoi tessellation. It can be performed e.g. on the anionic framework alone to find the centres...... information. Accurate determination of atomic coordinations is difficult in cases where a clear bond gap does not exist. In such instances the most reliable existing method is the determination of atomic domains in electron density, which can be performed even for experimental high-pressure crystal structure...

  14. 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

  15. Critical parameters of hard-core Yukawa fluids within the structural theory

    Science.gov (United States)

    Bahaa Khedr, M.; Osman, S. M.

    2012-10-01

    A purely statistical mechanical approach is proposed to account for the liquid-vapor critical point based on the mean density approximation (MDA) of the direct correlation function. The application to hard-core Yukawa (HCY) fluids facilitates the use of the series mean spherical approximation (SMSA). The location of the critical parameters for HCY fluid with variable intermolecular range is accurately calculated. Good agreement is observed with computer simulation results and with the inverse temperature expansion (ITE) predictions. The influence of the potential range on the critical parameters is demonstrated and the universality of the critical compressibility ratio is discussed. The behavior of the isochoric and isobaric heat capacities along the equilibrium line and the near vicinity of the critical point is discussed in details.

  16. Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling

    Science.gov (United States)

    Sutton, Jonathan E.; Guo, Wei; Katsoulakis, Markos A.; Vlachos, Dionisios G.

    2016-04-01

    Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and predict novel materials. To overcome the tremendous computational cost of estimating parameters of complex networks on metal catalysts, approximate quantum mechanical calculations are employed that render models potentially inaccurate. Here, by introducing correlative global sensitivity analysis and uncertainty quantification, we show that neglecting correlations in the energies of species and reactions can lead to an incorrect identification of influential parameters and key reaction intermediates and reactions. We rationalize why models often underpredict reaction rates and show that, despite the uncertainty being large, the method can, in conjunction with experimental data, identify influential missing reaction pathways and provide insights into the catalyst active site and the kinetic reliability of a model. The method is demonstrated in ethanol steam reforming for hydrogen production for fuel cells.

  17. Choosing order of operations to accelerate strip structure analysis in parameter range

    Science.gov (United States)

    Kuksenko, S. P.; Akhunov, R. R.; Gazizov, T. R.

    2018-05-01

    The paper considers the issue of using iteration methods in solving the sequence of linear algebraic systems obtained in quasistatic analysis of strip structures with the method of moments. Using the analysis of 4 strip structures, the authors have proved that additional acceleration (up to 2.21 times) of the iterative process can be obtained during the process of solving linear systems repeatedly by means of choosing a proper order of operations and a preconditioner. The obtained results can be used to accelerate the process of computer-aided design of various strip structures. The choice of the order of operations to accelerate the process is quite simple, universal and could be used not only for strip structure analysis but also for a wide range of computational problems.

  18. Structural and spectroscopic parameters of 2,4,6-trimethylbenzamide, using DFT method

    International Nuclear Information System (INIS)

    Catikkas, B.; Karakaya, N.

    2010-01-01

    Conformational analysis of 2,4,6-Trimethylbenzamide was carried out. The geometric parameters (bond length, bond angle and tortion angle) of the most stable conformer were calculated and the Infrared and Raman frequencies of fundamental modes were determined. All calculations have been made by using the B3LYP / 6-311+G(d,p) method. Calculated values were compared with the experimental ones. All calculations were carried out with the Gaussian03 and GaussView3.0 programs.

  19. Simultaneous parameter and tolerance optimization of structures via probability-interval mixed reliability model

    DEFF Research Database (Denmark)

    Luo, Yangjun; Wu, Xiaoxiang; Zhou, Mingdong

    2015-01-01

    Both structural sizes and dimensional tolerances strongly influence the manufacturing cost and the functional performance of a practical product. This paper presents an optimization method to simultaneously find the optimal combination of structural sizes and dimensional tolerances. Based...... transformed into their equivalent formulations by using the performance measure approach. The optimization problem is then solved with the sequential approximate programming. Meanwhile, a numerically stable algorithm based on the trust region method is proposed to efficiently update the target performance...

  20. Program LATTICE for Calculation of Parameters of Targets with Heterogeneous (Lattice) Structure

    CERN Document Server

    Bznuni, S A; Soloviev, A G; Sosnin, A N

    2002-01-01

    Program LATTICE, with which help it is possible to describe lattice structure for the program complex CASCAD, is created in the C++ language. It is shown that for model-based electronuclear system on a basis of molten salt reactor with graphite moderator at transition from homogeneous structure to heterogeneous at preservation of a chemical compound there is a growth of k_{eff} by approximately 6 %.

  1. Test-Retest Intervisit Variability of Functional and Structural Parameters in X-Linked Retinoschisis.

    Science.gov (United States)

    Jeffrey, Brett G; Cukras, Catherine A; Vitale, Susan; Turriff, Amy; Bowles, Kristin; Sieving, Paul A

    2014-09-01

    To examine the variability of four outcome measures that could be used to address safety and efficacy in therapeutic trials with X-linked juvenile retinoschisis. Seven men with confirmed mutations in the RS1 gene were evaluated over four visits spanning 6 months. Assessments included visual acuity, full-field electroretinograms (ERG), microperimetric macular sensitivity, and retinal thickness measured by optical coherence tomography (OCT). Eyes were separated into Better or Worse Eye groups based on acuity at baseline. Repeatability coefficients were calculated for each parameter and jackknife resampling used to derive 95% confidence intervals (CIs). The threshold for statistically significant change in visual acuity ranged from three to eight letters. For ERG a-wave, an amplitude reduction greater than 56% would be considered significant. For other parameters, variabilities were lower in the Worse Eye group, likely a result of floor effects due to collapse of the schisis pockets and/or retinal atrophy. The criteria for significant change (Better/Worse Eye) for three important parameters were: ERG b/a-wave ratio (0.44/0.23), point wise sensitivity (10.4/7.0 dB), and central retinal thickness (31%/18%). The 95% CI range for visual acuity, ERG, retinal sensitivity, and central retinal thickness relative to baseline are described for this cohort of participants with X-linked juvenile retinoschisis (XLRS). A quantitative understanding of the variability of outcome measures is vital to establishing the safety and efficacy limits for therapeutic trials of XLRS patients.

  2. Analysis Method of Combine Harvesters Technical Level by Functional and Structural Parameters

    Directory of Open Access Journals (Sweden)

    E. V. Zhalnin

    2018-01-01

    Full Text Available The analysis of modern methods of evaluation of the grain harvesters technical level revealed a discrepancy in various criteria: comparative parameters, dimensionless series, the names of firms, the power of the motor, the width of the capture of the harvester, the capacity at the location of the manufacturer plant, advertising brands. (Purpose of research This led to a variety in the name of harvester models, which significantly complicates the assessment of their technical level, complicates the choice of agricultural necessary to him fashion, does not give the perception of the continuity of the change of generations of combines, makes it impossible to analyze trends in their development, does not disclose the technological essence of a model, but - most importantly - combines can not be compared with each other. The figures in the name of the harvester model are not related functionally to the main parameters and performance capabilities. (Materials and methods The close correlation in the form of a linear equation between their design parameters and the capacity of combines was revealed. Verification of this equation in the process of operation of the combine showed that it statistically stable and the estimates are always within the confidence interval with an error of 5-8 percent. It was found that four parameters of the variety of factors, that affect the performance of the harvester per hour net time, having most close correlation with it are: the motor power and the square of the separation concave, straw walkers and sieves for cleaning. (Results and discussion On the basis of the revealed correlation dependence we proposed a new method of assessment of the technical level of combines, which is based on the throughput (kg/s of the wetted material and the size series, indicating the nominal productivity of the combine in centners of grain harvested in 1 hour of basic time. The methodological background and mathematical apparatus

  3. On the effect of the lattice asymmetry parameter on the phase structure of SU(N) pure gauge theories

    International Nuclear Information System (INIS)

    Averchenkova, L.A.; Petrov, K.V.; Petrov, V.K.; Zinovjev, G.M.

    1998-01-01

    The role of the lattice asymmetry parameter ξ in the phase structure description of the SU(2) and SU(3) gluodynamics at finite temperature has been studied analytically in the SU(N)∼Z(N) approach. The properties of thermodynamic quantities have been investigated near the physical border. The effective action which includes the first non-trivial order from the space-like part allows estimates to be made of the phase structure not only close to the physical border but in the whole area of couplings. We find that thermodynamic quantities depend on ξ and this dependence may be strong enough, up to discontinuity over this parameter for some of them. The Hamiltonian formulation of the SU(2) gauge theory on the asymmetric lattice is presented. (orig.)

  4. Exploring the relationship between structurally defined geometrical parameters of reinforced concrete beams and the thermal comfort on indoor environment

    DEFF Research Database (Denmark)

    Lee, Daniel Sang-Hoon; Naboni, Emanuele

    2017-01-01

    mass effect (and the implication on thermal comfort) and the given geometrical parameters of exposed soffit reinforced concrete beams are explored. The geometrical parameters of the beams are initially defined in means of structural optimisation. The beams consist of flange and web in likeness of T...... the resultant heat exchange behaviour, and the implication on thermal comfort indoor environment. However, the current paper presents the thermal mass characteristics of one geometrical type. The study is based on results derived from computational fluid dynamics (CFD) analysis, where Rhino 3D is used......The paper presents a research exploring the thermal mass effect of reinforced concrete beams with structurally optimised geometrical forms. Fully exposed concrete soffits in architectural contexts create more than just visual impacts on the indoor climate through their possible interferences...

  5. Structural correlation method for model reduction and practical estimation of patient specific parameters illustrated on heart rate regulation

    DEFF Research Database (Denmark)

    Ottesen, Johnny T.; Mehlsen, Jesper; Olufsen, Mette

    2014-01-01

    We consider the inverse and patient specific problem of short term (seconds to minutes) heart rate regulation specified by a system of nonlinear ODEs and corresponding data. We show how a recent method termed the structural correlation method (SCM) can be used for model reduction and for obtaining...... a set of practically identifiable parameters. The structural correlation method includes two steps: sensitivity and correlation analysis. When combined with an optimization step, it is possible to estimate model parameters, enabling the model to fit dynamics observed in data. This method is illustrated...... in detail on a model predicting baroreflex regulation of heart rate and applied to analysis of data from a rat and healthy humans. Numerous mathematical models have been proposed for prediction of baroreflex regulation of heart rate, yet most of these have been designed to provide qualitative predictions...

  6. Determination of the numerical parameters of a continuous damage model for the structural analysis of clay brick masonry

    Directory of Open Access Journals (Sweden)

    Felipe Barbosa Mangueira

    2012-12-01

    Full Text Available Models based on the continuous damage theory present good responses in representing the nonlinear behavior of reinforced concrete structures with loss of strength and stiffness of the material. However, damage theory is rarely employed in the analysis of masonry structures and numerical simulations are currently performed mostly by Finite Element Method formulations. A computational program was designed to determine the numerical parameters of a damage model of the physical properties of masonry components, solid clay brick and mortar. The model was formulated based on the composition of tensile and compressive surface strengths in the plane stress state. The numerical parameters, the corresponding curves of the activation surfaces and the evolution of the surfaces are presented. The results were fed into the computational program based on the Boundary Element Method (BEM for the simulation of masonry walls, and two types of masonry were simulated. The results confirm the good performance of the model and the program based on the BEM.

  7. A method for the calculation of collision strengths for complex atomic structures based on Slater parameter optimisation

    International Nuclear Information System (INIS)

    Fawcett, B.C.; Mason, H.E.

    1989-02-01

    This report presents details of a new method to enable the computation of collision strengths for complex ions which is adapted from long established optimisation techniques previously applied to the calculation of atomic structures and oscillator strengths. The procedure involves the adjustment of Slater parameters so that they determine improved energy levels and eigenvectors. They provide a basis for collision strength calculations in ions where ab initio computations break down or result in reducible errors. This application is demonstrated through modifications of the DISTORTED WAVE collision code and SUPERSTRUCTURE atomic-structure code which interface via a transformation code JAJOM which processes their output. (author)

  8. Online Structural Health Monitoring and Parameter Estimation for Vibrating Active Cantilever Beams Using Low-Priced Microcontrollers

    Directory of Open Access Journals (Sweden)

    Gergely Takács

    2015-01-01

    Full Text Available This paper presents a structural health monitoring and parameter estimation system for vibrating active cantilever beams using low-cost embedded computing hardware. The actuator input and the measured position are used in an augmented nonlinear model to observe the dynamic states and parameters of the beam by the continuous-discrete extended Kalman filter (EKF. The presence of undesirable structural change is detected by variations of the first resonance estimate computed from the observed equivalent mass, stiffness, damping, and voltage-force conversion coefficients. A fault signal is generated upon its departure from a predetermined nominal tolerance band. The algorithm is implemented using automatically generated and deployed machine code on an electronics prototyping platform, featuring an economically feasible 8-bit microcontroller unit (MCU. The validation experiments demonstrate the viability of the proposed system to detect sudden or gradual mechanical changes in real-time, while the functionality on low-cost miniaturized hardware suggests a strong potential for mass-production and structural integration. The modest computing power of the microcontroller and automated code generation designates the proposed system only for very flexible structures, with a first dominant resonant frequency under 4 Hz; however, a code-optimized version certainly allows much stiffer structures or more complicated models on the same hardware.

  9. Influence of processing parameters on pore structure of 3D porous chitosan-alginate polyelectrolyte complex scaffolds.

    Science.gov (United States)

    Florczyk, Stephen J; Kim, Dae-Joon; Wood, David L; Zhang, Miqin

    2011-09-15

    Fabrication of porous polymeric scaffolds with controlled structure can be challenging. In this study, we investigated the influence of key experimental parameters on the structures and mechanical properties of resultant porous chitosan-alginate (CA) polyelectrolyte complex (PEC) scaffolds, and on proliferation of MG-63 osteoblast-like cells, targeted at bone tissue engineering. We demonstrated that the porous structure is largely affected by the solution viscosity, which can be regulated by the acetic acid and alginate concentrations. We found that the CA PEC solutions with viscosity below 300 Pa.s yielded scaffolds of uniform pore structure and that more neutral pH promoted more complete complexation of chitosan and alginate, yielding stiffer scaffolds. CA PEC scaffolds produced from solutions with viscosities below 300 Pa.s also showed enhanced cell proliferation compared with other samples. By controlling the key experimental parameters identified in this study, CA PEC scaffolds of different structures can be made to suit various tissue engineering applications. Copyright © 2011 Wiley Periodicals, Inc.

  10. Computer modelling system of the chemical composition and treatment parameters influence on mechanical properties of structural steels

    OpenAIRE

    L.A. Dobrzański; R. Honysz

    2009-01-01

    Purpose: This paper presents Neuro-Lab. It is an authorship programme, which use algorithms of artificial intelligence for structural steels mechanical properties estimation.Design/methodology/approach: On the basis of chemical composition, parameters of heat and mechanical treatment and elements of geometrical shape and size this programme has the ability to calculate the mechanical properties of examined steel and introduce them as raw numeric data or in graphic as influence charts. Possibl...

  11. Effect of ion-beam gettering on the GaAs transistor structure parameters under neutron irradiation

    International Nuclear Information System (INIS)

    Obolenskij, S.V.; Skupov, V.D.

    2000-01-01

    It is established that the neutron irradiation negative effect on the parameters of the field transistors with the Schottky shut-off on the basis of the epitaxial gallium arsenide is essentially reduced when the argon ions are preliminary implanted into structure on the substrate side. The above effect is explained through remotely controlled gettering by ion irradiation of admixtures and defects in the transistor active areas related with origination of deep levels under the neutron fluence [ru

  12. Control of the structural parameters in the (Zn – Zn16Ti single crystal growth

    Directory of Open Access Journals (Sweden)

    W. Wołczyński

    2011-10-01

    Full Text Available The (Zn - single crystal was obtained by means of the Bridgman system. Several growth rates were applied during the experiment. The graphite crucible was used in order to perform the solidification process. The unidirectional solidification occurred with the presence of the moving temperature field. The thermal gradient was positive so that the constrained growth of the single crystal was ensured. The (Zn single crystal was doped with small addition of titanium and copper. The titanium formed an intermetallic compound Zn16-Ti. The copper was solved in the solid solution (Zn. The precipitates of (Zn and Zn16-Ti formed a stripes localized cyclically along the single crystal length. The intermetallic compound Zn16-Ti strengthened the (Zn single crystal. The structural transitions were observed in the stripes with the increasing solidification rate. Within the first range of the solidification rates ( the irregular L-shape rod-like intermetalliccompoundwas revealed. At the- threshold growth rate branches disappear continuously till the growth rate equal to. At the same range of growth rates the regular lamellar eutectic structure (Zn – Zn16-Ti appeared continuously and it existed exclusively till the second threshold growth rate equal to. Above the second threshold growth rate the regular rod-like eutectic structure was formed, only. Thegeneral theory for the stationary eutectic solidification was developed. According to this theory the eutectic structure localized within the stripes is formed under stationary state. Therefore, the criterion of the minimum entropy production defines well the stationary solidification. The entropy production was calculated for the regular rod-like eutectic structure formation and for the regular lamellar eutectic structure formation. It was postulated that the observed structure are subjected to the competition. That is why the structural transitionwere observed at therevealedthreshold growth rates.Moreover, it was

  13. Parameter splitting in dark energy: is dark energy the same in the background and in the cosmic structures?

    Energy Technology Data Exchange (ETDEWEB)

    Bernal, José Luis; Cuesta, Antonio J. [Institut de Ciències del Cosmos (ICCUB), Universitat de Barcelona (IEEC-UB), Martí i Franquès 1, Barcelona, E08028 Spain (Spain); Verde, Licia, E-mail: joseluis.bernal@icc.ub.edu, E-mail: liciaverde@icc.ub.edu, E-mail: ajcuesta@icc.ub.edu [ICREA (Institució Catalana de Recerca i Estudis Avançats), Passeig Lluís Companys, Barcelona, E-23 08010 Spain (Spain)

    2016-02-01

    We perform an empirical consistency test of General Relativity/dark energy by disentangling expansion history and growth of structure constraints. We replace each late-universe parameter that describes the behavior of dark energy with two meta-parameters: one describing geometrical information in cosmological probes, and the other controlling the growth of structure. If the underlying model (a standard wCDM cosmology with General Relativity) is correct, that is under the null hypothesis, the two meta-parameters coincide. If they do not, it could indicate a failure of the model or systematics in the data. We present a global analysis using state-of-the-art cosmological data sets which points in the direction that cosmic structures prefer a weaker growth than that inferred by background probes. This result could signify inconsistencies of the model, the necessity of extensions to it or the presence of systematic errors in the data. We examine all these possibilities. The fact that the result is mostly driven by a specific sub-set of galaxy clusters abundance data, points to the need of a better understanding of this probe.

  14. Effect of process temperature on structure, microstructure, residual stresses and soft magnetic properties of sputtered Fe{sub 70}Co{sub 30} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Inamdar, Swaleha; Ramudu, M.; Raja, M. Manivel, E-mail: mraja@dmrl.drdo.in; Kamat, S.V.

    2016-11-15

    The effect of substrate and post-annealing temperatures on the structure, microstructure, residual stresses and soft magnetic properties of Fe{sub 70}Co{sub 30} thin films was systematically investigated. Microstructural studies reveal that the films are continuous and undergo changes in shape of grain from plate like to spherical resulting in an increase in grain size with the increase in substrate temperature, whereas the post-annealed films show small pores and no significant grain growth till 500 °C. Coercivity (H{sub c}) was found decreasing with both the substrate and post-annealing temperatures; however, the best H{sub c} value of 26 Oe was obtained for the films deposited at substrate temperature of 500 °C. The post-annealed films exhibited relatively higher H{sub c} values. A good combination of high saturation magnetization 4πM{sub s} of ~23.2 kG and low coercivity H{sub c} of 26–65 Oe was obtained for the films deposited at substrate temperature of 450–500 °C. Residual stress analysis on films with different substrate temperatures shows the presence of tensile stress. The decrease in tensile stress is attributed to the relaxation of thermal stresses in the films. - Highlights: • The properties of Fe{sub 70}Co{sub 30} thin films with substrate and post-annealing temperatures are studied. • Good combination of M{sub s} and H{sub c} were observed in the films with different substrate temperatures. • Coercivity decrease is attributed to the increased grain size and smaller residual stresses.

  15. Model Study of Wave Overtopping of Marine Structure for a Wide Range of Geometric Parameters

    DEFF Research Database (Denmark)

    Kofoed, Jens Peter

    2000-01-01

    The objective of the study described in this paper is to enable estimation of wave overtopping rates for slopes/ramps given by a wide range of geometric parameters when subjected to varying wave conditions. To achieve this a great number of model tests are carried out in a wave tank using irregul...... 2-D waves. On the basis of the first part of these tests an exponential overtopping expression for a linear slope, including the effect of limited draught and varying slope angle, is presented. The plans for further tests with other slope geometries are described....

  16. Sampling of Stochastic Input Parameters for Rockfall Calculations and for Structural Response Calculations Under Vibratory Ground Motion

    International Nuclear Information System (INIS)

    M. Gross

    2004-01-01

    The purpose of this scientific analysis is to define the sampled values of stochastic (random) input parameters for (1) rockfall calculations in the lithophysal and nonlithophysal zones under vibratory ground motions, and (2) structural response calculations for the drip shield and waste package under vibratory ground motions. This analysis supplies: (1) Sampled values of ground motion time history and synthetic fracture pattern for analysis of rockfall in emplacement drifts in nonlithophysal rock (Section 6.3 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (2) Sampled values of ground motion time history and rock mechanical properties category for analysis of rockfall in emplacement drifts in lithophysal rock (Section 6.4 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (3) Sampled values of ground motion time history and metal to metal and metal to rock friction coefficient for analysis of waste package and drip shield damage to vibratory motion in ''Structural Calculations of Waste Package Exposed to Vibratory Ground Motion'' (BSC 2004 [DIRS 167083]) and in ''Structural Calculations of Drip Shield Exposed to Vibratory Ground Motion'' (BSC 2003 [DIRS 163425]). The sampled values are indices representing the number of ground motion time histories, number of fracture patterns and rock mass prope