Affinity selection-mass spectrometry and its emerging application to the high throughput screening of G protein-coupled receptors.

Science.gov (United States)

Whitehurst, Charles E; Annis, D Allen

2008-07-01

Advances in combinatorial chemistry and genomics have inspired the development of novel affinity selection-based screening techniques that rely on mass spectrometry to identify compounds that preferentially bind to a protein target. Of the many affinity selection-mass spectrometry techniques so far documented, only a few solution-based implementations that separate target-ligand complexes away from unbound ligands persist today as routine high throughput screening platforms. Because affinity selection-mass spectrometry techniques do not rely on radioactive or fluorescent reporters or enzyme activities, they can complement traditional biochemical and cell-based screening assays and enable scientists to screen targets that may not be easily amenable to other methods. In addition, by employing mass spectrometry for ligand detection, these techniques enable high throughput screening of massive library collections of pooled compound mixtures, vastly increasing the chemical space that a target can encounter during screening. Of all drug targets, G protein coupled receptors yield the highest percentage of therapeutically effective drugs. In this manuscript, we present the emerging application of affinity selection-mass spectrometry to the high throughput screening of G protein coupled receptors. We also review how affinity selection-mass spectrometry can be used as an analytical tool to guide receptor purification, and further used after screening to characterize target-ligand binding interactions, enabling the classification of orthosteric and allosteric binders.

VISCOT: a two-dimensional and axisymmetric nonlinear transient thermoviscoelastic and thermoviscoplastic finite-element code for modeling time-dependent viscous mechanical behavior of a rock mass

International Nuclear Information System (INIS)

1983-04-01

VISCOT is a non-linear, transient, thermal-stress finite-element code designed to determine the viscoelastic, fiscoplastic, or elastoplastic deformation of a rock mass due to mechanical and thermal loading. The numerical solution of the nonlinear incremental equilibrium equations within VISCOT is performed by using an explicit Euler time-stepping scheme. The rock mass may be modeled as a viscoplastic or viscoelastic material. The viscoplastic material model can be described by a Tresca, von Mises, Drucker-Prager or Mohr-Coulomb yield criteria (with or without strain hardening) with an associated flow rule which can be a power or an exponential law. The viscoelastic material model within VISCOT is a temperature- and stress-dependent law which has been developed specifically for salt rock masses by Pfeifle, Mellegard and Senseny in ONWI-314 topical report (1981). Site specific parameters for this creep law at the Richton, Permian, Paradox and Vacherie salt sites have been calculated and are given in ONWI-314 topical report (1981). A major application of VISCOT (in conjunction with a SCEPTER heat transfer code such as DOT) is the thermomechanical analysis of a rock mass such as salt in which significant time-dependent nonlinear deformations are expected to occur. Such problems include room- and canister-scale studies during the excavation, operation, and long-term post-closure stages in a salt repository. In Section 1.5 of this document the code custodianship and control is described along with the status of verification, validation and peer review of this report

Novel trends in affinity biosensors: current challenges and perspectives

International Nuclear Information System (INIS)

Arugula, Mary A; Simonian, Aleksandr

2014-01-01

Molecular biorecognition processes facilitate physical and biochemical interactions between molecules in all crucial metabolic pathways. Perhaps the target analyte and the biorecognition element interactions have the most impactful use in biosensing applications. Traditional analytical sensing systems offer excellent biorecognition elements with the ability to detect and determine the presence of analytes. High affinity antibodies and DNA play an important role in the development of affinity biosensors based on electrochemical, optical and mass sensitive approaches. Advancements in this area routinely employ labels, label free, nanoparticles, multifunctional matrices, carbon nanotubes and other methods to meet the requirements of its own application. However, despite increasing affinity ceilings for conventional biosensors, the field draws back in meeting specifically important demands, such as long-term stability, ultrasensitivity, rapid detection, extreme selectivity, strong biological base, calibration, in vivo measurements, regeneration, satisfactory performance and ease of production. Nevertheless, recent efforts through this line have produced novel high-tech nanosensing systems such as ‘aptamers’ and ‘phages’ which exhibit high-throughput sensing. Aptamers and phages are powerful tools that excel over antibodies in sensibility, stability, multi-detection, in vivo measurements and regeneration. Phages are superior in stability, screening for affinity-based target molecules ranging from small to proteins and even cells, and easy production. In this review, we focus mainly on recent developments in affinity-based biosensors such as immunosensors, DNA sensors, emphasizing aptasensors and phage-based biosensors basing on novel electrochemical, optical and mass sensitive detection techniques. We also address enzyme inhibition-based biosensors and the current problems associated with the above sensors and their future perspectives. (topical review)

INGEN: a general-purpose mesh generator for finite element codes

International Nuclear Information System (INIS)

Cook, W.A.

1979-05-01

INGEN is a general-purpose mesh generator for two- and three-dimensional finite element codes. The basic parts of the code are surface and three-dimensional region generators that use linear-blending interpolation formulas. These generators are based on an i, j, k index scheme that is used to number nodal points, construct elements, and develop displacement and traction boundary conditions. This code can generate truss elements (2 modal points); plane stress, plane strain, and axisymmetry two-dimensional continuum elements (4 to 8 nodal points); plate elements (4 to 8 nodal points); and three-dimensional continuum elements (8 to 21 nodal points). The traction loads generated are consistent with the element generated. The expansion--contraction option is of special interest. This option makes it possible to change an existing mesh such that some regions are refined and others are made coarser than the original mesh. 9 figures

A finite element code for electric motor design

Science.gov (United States)

Campbell, C. Warren

1994-01-01

FEMOT is a finite element program for solving the nonlinear magnetostatic problem. This version uses nonlinear, Newton first order elements. The code can be used for electric motor design and analysis. FEMOT can be embedded within an optimization code that will vary nodal coordinates to optimize the motor design. The output from FEMOT can be used to determine motor back EMF, torque, cogging, and magnet saturation. It will run on a PC and will be available to anyone who wants to use it.

Affinity imaging mass spectrometry (AIMS): high-throughput screening for specific small molecule interactions with frozen tissue sections.

Science.gov (United States)

Yoshimi, T; Kawabata, S; Taira, S; Okuno, A; Mikawa, R; Murayama, S; Tanaka, K; Takikawa, O

2015-11-07

A novel screening system, using affinity imaging mass spectrometry (AIMS), has been developed to identify protein aggregates or organ structures in unfixed human tissue. Frozen tissue sections are positioned on small (millimetre-scale) stainless steel chips and incubated with an extensive library of small molecules. Candidate molecules showing specific affinity for the tissue section are identified by imaging mass spectrometry (IMS). As an example application, we screened over a thousand compounds against Alzheimer's disease (AD) brain tissue and identified several compounds with high affinity for AD brain sections containing tau deposits compared to age-matched controls. It should also be possible to use AIMS to isolate chemical compounds with affinity for tissue structures or components that have been extensively modified by events such as oxidation, phosphorylation, acetylation, aggregation, racemization or truncation, for example, due to aging. It may also be applicable to biomarker screening programs.

Epitope structure and binding affinity of single chain llama anti-β-amyloid antibodies revealed by proteolytic excision affinity-mass spectrometry.

Science.gov (United States)

Paraschiv, Gabriela; Vincke, Cécile; Czaplewska, Paulina; Manea, Marilena; Muyldermans, Serge; Przybylski, Michael

2013-01-01

ß-Amyloid (Aß) immunotherapy has become a promising strategy for reducing the level of Aß in brain. New immunological approaches have been recently proposed for rapid, early diagnosis, and molecular treatment of neurodegenerative diseases related to Alzheimer's Disease (AD). The combination of proteolytic epitope excision and extraction and mass spectrometry using digestion with various proteases has been shown to be an efficient tool for the identification and molecular characterization of antigenic determinants. Here, we report the identification of the Aβ epitope recognized by the variable domain of single chain llama anti-Aβ-antibodies, termed Aβ-nanobodies, that have been discovered in the blood of camelids and found to be promising candidates for immunotherapy of AD. The epitope recognized by two Aβ-specific nanobodies was identified by proteolytic epitope extraction- and excision-mass spectrometry using a series of proteases (trypsin, chymotrypsin, GluC-protease, and LysC-protease). Matrix-assisted laser desorption ionization--mass spectrometric analysis of the affinity--elution fraction provided the epitope, Aβ(17-28), in the mid- to carboxy-terminal domain of Aβ, which has been shown to exert an Aß-fibril inhibiting effect. Affinity studies of the synthetic epitope confirmed that the Aβ(17-28) peptide is the minimal fragment that binds to the nanobodies. The interactions between the nanobodies and full length Aβ(1-40) or Aβ-peptides containing or lacking the epitope sequence were further characterized by enzyme linked immunosorbent assay and bioaffinity analysis. Determinations of binding affinities between the Aβ-nanobodies and Aβ(1-40) and the Aβ(17-28) epitope provided K(D) values of approximately 150 and 700 nmol, respectively. Thus, the knowledge of the epitope may be highly useful for future studies of Aβ-aggregation (oligomerization and fibril formation) and for designing new aggregation inhibitors. Copyright © 2012 John Wiley

Large Eddy Simulation of turbulent flows in compound channels with a finite element code

International Nuclear Information System (INIS)

Xavier, C.M.; Petry, A.P.; Moeller, S.V.

2011-01-01

This paper presents the numerical investigation of the developing flow in a compound channel formed by a rectangular main channel and a gap in one of the sidewalls. A three dimensional Large Eddy Simulation computational code with the classic Smagorinsky model is introduced, where the transient flow is modeled through the conservation equations of mass and momentum of a quasi-incompressible, isothermal continuous medium. Finite Element Method, Taylor-Galerkin scheme and linear hexahedrical elements are applied. Numerical results of velocity profile show the development of a shear layer in agreement with experimental results obtained with Pitot tube and hot wires. (author)

Trace element affinities in two high-Ge coals from China

Energy Technology Data Exchange (ETDEWEB)

Jing Li; Xinguo Zhuang; Xavier Querol [China University of Geosciences, Wuhan (China). Faculty of Earth Resources

2011-01-15

The Lincang (Yunnan Province, Southwest China) and Wulantuga (Inner Mongolia, Northeast China) coal deposits are known because of the high-Ge content. These coals have also a high concentration of a number of other elements. To determine the mode of occurrence of the enriched elements in both coals, six density fractions from {lt} 1.43 to {gt} 2.8 g/cm{sup 3} were obtained from two representative samples using heavy-liquids. A number of peculiar geochemical patterns characterize these high-Ge coals. Thus, the results of the chemical analysis of these density fractions showed that both coals (very distant and of a different geological age) are highly enriched (compared with the usual worldwide coal concentration ranges) in Ge, As, Sb, W, Be, and Tl. This may be due to similar geochemistry of hydrothermal fluids influencing the Earth Crust in these regions of China. Moreover, Wulantuga coal (Early Cretaceous subbituminous coal) is also enriched in Ca, Mg, and Na, and Lincang coal (Neogene subbituminous coal) in K, Rb, Nb, Mo, Sn, Cs, and U. A group of elements consisting of Ge, W, B, Nb, and Sb mostly occur with an organic affinity in both coals. Additionally, Be, U, and Mo (and partially Mn and Zn) in Lincang, and Na and Mg in Wulantuga occur also with a major organic affinity. Both coals have sulfide-arsenide mineral assemblages (Fe, S, As, Sn, and Pb, and in addition to Tl, Ta, and Cs in the Lincang coal). The occurrence of Al, P, Li, Sc, Ti, V, Cr, and Zr in both coals, and Ba in Lincang, are associated with the mineral assemblage of silico-aluminates and minor heavy minerals. Furthermore, P, Na, Li, Sc, Ti, Ga, Rb, Zr, Cr, Ba, Th, and LREE (La, Ce, Pr, Nd, and Gd) in Lincang are associated with mineral assemblages of phosphates and minor heavy minerals. The two later mineral assemblages are derived from the occurrence of detrital minerals. 34 refs., 7 figs., 3 tabs.

Multichannel Filtered-X Error Coded Affine Projection-Like Algorithm with Evolving Order

Directory of Open Access Journals (Sweden)

J. G. Avalos

2017-01-01

Full Text Available Affine projection (AP algorithms are commonly used to implement active noise control (ANC systems because they provide fast convergence. However, their high computational complexity can restrict their use in certain practical applications. The Error Coded Affine Projection-Like (ECAP-L algorithm has been proposed to reduce the computational burden while maintaining the speed of AP, but no version of this algorithm has been derived for active noise control, for which the adaptive structures are very different from those of other configurations. In this paper, we introduce a version of the ECAP-L for single-channel and multichannel ANC systems. The proposed algorithm is implemented using the conventional filtered-x scheme, which incurs a lower computational cost than the modified filtered-x structure, especially for multichannel systems. Furthermore, we present an evolutionary method that dynamically decreases the projection order in order to reduce the dimensions of the matrix used in the algorithm’s computations. Experimental results demonstrate that the proposed algorithm yields a convergence speed and a final residual error similar to those of AP algorithms. Moreover, it achieves meaningful computational savings, leading to simpler hardware implementation of real-time ANC applications.

Modification of the finite element heat and mass transfer code (FEHM) to model multicomponent reactive transport

International Nuclear Information System (INIS)

Viswanathan, H.S.

1996-08-01

The finite element code FEHMN, developed by scientists at Los Alamos National Laboratory (LANL), is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developing hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent Kd model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The new chemical capabilities of FEHMN are illustrated by using Los Alamos National Laboratory's site scale model of Yucca Mountain to model two-dimensional, vadose zone 14 C transport. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect 14 C transport at Yucca Mountain. The simulations also prove that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies

Periodic Boundary Conditions in the ALEGRA Finite Element Code

International Nuclear Information System (INIS)

Aidun, John B.; Robinson, Allen C.; Weatherby, Joe R.

1999-01-01

This document describes the implementation of periodic boundary conditions in the ALEGRA finite element code. ALEGRA is an arbitrary Lagrangian-Eulerian multi-physics code with both explicit and implicit numerical algorithms. The periodic boundary implementation requires a consistent set of boundary input sets which are used to describe virtual periodic regions. The implementation is noninvasive to the majority of the ALEGRA coding and is based on the distributed memory parallel framework in ALEGRA. The technique involves extending the ghost element concept for interprocessor boundary communications in ALEGRA to additionally support on- and off-processor periodic boundary communications. The user interface, algorithmic details and sample computations are given

Computer codes for three dimensional mass transport with non-linear sorption

International Nuclear Information System (INIS)

Noy, D.J.

1985-03-01

The report describes the mathematical background and data input to finite element programs for three dimensional mass transport in a porous medium. The transport equations are developed and sorption processes are included in a general way so that non-linear equilibrium relations can be introduced. The programs are described and a guide given to the construction of the required input data sets. Concluding remarks indicate that the calculations require substantial computer resources and suggest that comprehensive preliminary analysis with lower dimensional codes would be important in the assessment of field data. (author)

HEFF---A user's manual and guide for the HEFF code for thermal-mechanical analysis using the boundary-element method

International Nuclear Information System (INIS)

St John, C.M.; Sanjeevan, K.

1991-12-01

The HEFF Code combines a simple boundary-element method of stress analysis with the closed form solutions for constant or exponentially decaying heat sources in an infinite elastic body to obtain an approximate method for analysis of underground excavations in a rock mass with heat generation. This manual describes the theoretical basis for the code, the code structure, model preparation, and step taken to assure that the code correctly performs its intended functions. The material contained within the report addresses the Software Quality Assurance Requirements for the Yucca Mountain Site Characterization Project. 13 refs., 26 figs., 14 tabs

Optimal codes as Tanner codes with cyclic component codes

DEFF Research Database (Denmark)

Høholdt, Tom; Pinero, Fernando; Zeng, Peng

2014-01-01

In this article we study a class of graph codes with cyclic code component codes as affine variety codes. Within this class of Tanner codes we find some optimal binary codes. We use a particular subgraph of the point-line incidence plane of A(2,q) as the Tanner graph, and we are able to describe ...

G2(+)M study on N-alkylamino cation affinities of neutral main-group element hydrides: trends across the periodic table.

Science.gov (United States)

Geng, Song; Wu, Ding-Lu; Yang, Jing; Wei, Xi-Guang; Zhu, Jun; Zhang, Hai-Bo; Ren, Yi; Lau, Kai-Chung

2014-05-08

We have made an extensive theoretical exploration of gas-phase N-alkylamino cation affinities (NAAMCA), including amino cation affinities (AMCA) and N-dimethylamino cation affinities (NDMAMCA), of neutral main-group element hydrides of groups 15-17 and periods 2-4 in the periodic table by using the G2(+)M method. Some similarities and differences are found between NAAMCA and the corresponding alkyl cation affinities (ACA) of H(n)X. Our calculations show that the AMCA and NDMAMCA are systematically lower than the corresponding proton affinities (PA) for H(n)X. In general, there is no linear correlation between NAAMCA and PA of H(n)X. Instead, the correlations exist only within the central elements X in period 2, or periods 3-4, which is significantly different from the reasonable correlations between ACA and PA for all H(n)X. NAAMCA (H(n)X) are weaker than NAAMCA (H(n-1)X(-)) by more than 700 kJ/mol and generally stronger than ACA (H(n)X), with three exceptions: H2ONR2(+)(R = H, Me) and HFNH2(+). These new findings can be rationalized by the negative hyperconjugation and Pauli repulsion.

Enrichment and characterization of phosphopeptides by immobilized metal affinity chromatography (IMAC) and mass spectrometry

DEFF Research Database (Denmark)

Thingholm, Tine E; Jensen, Ole N

2009-01-01

The combination of immobilized metal affinity chromatography (IMAC) and mass spectrometry is a widely used technique for enrichment and sequencing of phosphopeptides. In the IMAC method, negatively charged phosphate groups interact with positively charged metal ions (Fe3+, Ga3+, and Al3...

Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table.

Science.gov (United States)

Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F Matthias

2017-10-05

We have carried out an extensive exploration of gas-phase alkali metal cation affinities (AMCA) of archetypal anionic bases across the periodic system using relativistic density functional theory at ZORA-BP86/QZ4P//ZORA-BP86/TZ2P. AMCA values of all bases were computed for the lithium, sodium, potassium, rubidium and cesium cations and compared with the corresponding proton affinities (PA). One purpose of this work is to provide an intrinsically consistent set of values of the 298 K AMCAs of all anionic (XH n-1 - ) constituted by main group-element hydrides of groups 14-17 along the periods 2-6. In particular, we wish to establish the trend in affinity for a cation as the latter varies from proton to, and along, the alkali cations. Our main purpose is to understand these trends in terms of the underlying bonding mechanism using Kohn-Sham molecular orbital theory together with a quantitative bond energy decomposition analyses (EDA). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

FINELM: a multigroup finite element diffusion code. Part I

International Nuclear Information System (INIS)

Davierwalla, D.M.

1980-12-01

The author presents a two dimensional code for multigroup diffusion using the finite element method. It was realized that the extensive connectivity which contributes significantly to the accuracy, results in a matrix which, although symmetric and positive definite, is wide band and possesses an irregular profile. Hence, it was decided to introduce sparsity techniques into the code. The introduction of the R-Z geometry lead to a great deal of changes in the code since the rotational invariance of the removal matrices in X-Y geometry did not carry over in R-Z geometry. Rectangular elements were introduced to remedy the inability of the triangles to model essentially one dimensional problems such as slab geometry. The matter is discussed briefly in the text in the section on benchmark problems. This report is restricted to the general theory of the triangular elements and to the sparsity techniques viz. incomplete disections. The latter makes the size of the problem that can be handled independent of core memory and dependent only on disc storage capacity which is virtually unlimited. (Auth.)

Hirota's solitons in the affine and the conformal affine Toda models

International Nuclear Information System (INIS)

Aratyn, H.; Constantinidis, C.P.; Ferreira, L.A.; Gomes, J.F.; Zimerman, A.H.

1993-01-01

We use Hirota's method formulated as a recursive scheme to construct a complete set of soliton solutions for the affine Toda field theory based on an arbitrary Lie algebra. Our solutions include a new class of solitons connected with two different types of degeneracies encountered in Hirota's perturbation approach. We also derive an universal mass formula for all Hirota's solutions to the affine Toda model valid for all underlying Lie groups. Embedding of the affine Toda model in the conformal affine Toda model plays a crucial role in this analysis. (orig.)

FINELM: a multigroup finite element diffusion code. Part II

International Nuclear Information System (INIS)

Davierwalla, D.M.

1981-05-01

The author presents the axisymmetric case in cylindrical coordinates for the finite element multigroup neutron diffusion code, FINELM. The numerical acceleration schemes incorporated viz. the Lebedev extrapolations and the coarse mesh rebalancing, space collapsing, are discussed. A few benchmark computations are presented as validation of the code. (Auth.)

Solitons and the energy-momentum tensor for affine Toda theory

Science.gov (United States)

Olive, D. I.; Turok, N.; Underwood, J. W. R.

1993-07-01

Following Leznov and Saveliev, we present the general solution to Toda field theories of conformal, affine or conformal affine type, associated with a simple Lie algebra g. These depend on a free massless field and on a group element. By putting the former to zero, soliton solutions to the affine Toda theories with imaginary coupling constant result with the soliton data encoded in the group element. As this requires a reformulation of the affine Kac-Moody algebra closely related to that already used to formulate the physical properties of the particle excitations, including their scattering matrices, a unified treatment of particles and solitons emerges. The physical energy—momentum tensor for a general solution is broken into a total derivative plus a part dependent only on the derivatives of the free field. Despite the non-linearity of the field equations and their complex nature the energy and momentum of the N-soliton solution is shown to be real, equalling the sum of contributions from the individual solitons. There are rank-g species of soliton, with masses given by a generalisation of a formula due to Hollowood, being proportional to the components of the left Perron-Frobenius eigenvector of the Cartan matrix of g.

Solitons and the energy-momentum tensor for affine Toda theory

International Nuclear Information System (INIS)

Olive, D.I.; Turok, N.; Underwood, J.W.R.

1993-01-01

Following Leznov and Saveliev, we present the general solution to Toda field theories of conformal, affine or conformal affine type, associated with a simple Lie algebra g. These depend on a free massless field and on a group element. By putting the former to zero, soliton solutions to the affine Toda theories with imaginary coupling constant result with the soliton data encoded in the group element. As this requires a reformulation of the affine Kac-Moodyy algebra closely related to that already used to formulate the physical properties of the particle excitations, including their scattering matrices, a unified treatment of particles and solitons emerges. The physical energy-momentum tensor for a general solution is broken into a total derivative plus a part dependent only on the derivatives of the free field. Despite the non-linearity of the field equations and their complex nature the energy and momentum of the N-soliton solution is shown to be real, equalling the sum of contributions from the individual solitons. There are rank-g species of soliton, with masses given by a generalisation of a formula due to Hollowood, being proportional to the components of the left Perron-Frobenius eigenvector of the Cartan matrix of g. (orig.)

Current advances in screening for bioactive components from medicinal plants by affinity ultrafiltration mass spectrometry.

Science.gov (United States)

Chen, Guilin; Huang, Bill X; Guo, Mingquan

2018-05-21

Medicinal plants have played an important role in maintaining human health for thousands of years. However, the interactions between the active components in medicinal plants and some certain biological targets during a disease are still unclear in most cases. To conduct the high-throughput screening for small active molecules that can interact with biological targets, which is of great theoretical significance and practical value. The ultrafiltration mass spectrometry (UF-LC/MS) is a powerful bio-analytical method by combining affinity ultrafiltration and liquid chromatography-mass spectrometry (LC/MS), which could rapidly screen and identify small active molecules that bind to biological targets of interest at the same time. Compared with other analytical methods, affinity UF-LC/MS has the characteristics of fast, sensitive and high throughput, and is especially suitable for the complicated extracts of medicinal plants. In this review, the basic principle, characteristics and some most recent challenges in UF-LC/MS have been demonstrated. Meanwhile, the progress and applications of affinity UF-LC/MS in the discovery of the active components from natural medicinal plants and the interactions between small molecules and biological target proteins are also briefly summarised. In addition, the future directions for UF-LC/MS are also prospected. Affinity UF-LC/MS is a powerful tool in studies on the interactions between small active molecules and biological protein targets, especially in the high-throughput screening of active components from the natural medicinal plants. Copyright © 2018 John Wiley & Sons, Ltd.

Mass: Fortran program for calculating mass-absorption coefficients

International Nuclear Information System (INIS)

Nielsen, Aa.; Svane Petersen, T.

1980-01-01

Determinations of mass-absorption coefficients in the x-ray analysis of trace elements are an important and time consuming part of the arithmetic calculation. In the course of time different metods have been used. The program MASS calculates the mass-absorption coefficients from a given major element analysis at the x-ray wavelengths normally used in trace element determinations and lists the chemical analysis and the mass-absorption coefficients. The program is coded in FORTRAN IV, and is operational on the IBM 370/165 computer, on the UNIVAC 1110 and on PDP 11/05. (author)

Investigation of Elemental Mass Spectrometry in Pharmacology for Peptide Quantitation at Femtomolar Levels.

Directory of Open Access Journals (Sweden)

Emmanuelle Cordeau

Full Text Available In the search of new robust and environmental-friendly analytical methods able to answer quantitative issues in pharmacology, we explore liquid chromatography (LC associated with elemental mass spectrometry (ICP-MS to monitor peptides in such complex biological matrices. The novelty is to use mass spectrometry to replace radiolabelling and radioactivity measurements, which represent up-to now the gold standard to measure organic compound concentrations in life science. As a proof of concept, we choose the vasopressin (AVP/V1A receptor system for model pharmacological assays. The capacity of ICP-MS to provide highly sensitive quantitation of metallic and hetero elements, whatever the sample medium, prompted us to investigate this technique in combination with appropriate labelling of the peptide of interest. Selenium, that is scarcely present in biological media, was selected as a good compromise between ICP-MS response, covalent tagging ability using conventional sulfur chemistry and peptide detection specificity. Applying selenium monitoring by elemental mass spectrometry in pharmacology is challenging due to the very high salt content and organic material complexity of the samples that produces polyatomic aggregates and thus potentially mass interferences with selenium detection. Hyphenation with a chromatographic separation was found compulsory. Noteworthy, we aimed to develop a straightforward quantitative protocol that can be performed in any laboratory equipped with a standard macrobore LC-ICP-MS system, in order to avoid time-consuming sample treatment or special implementation of instrumental set-up, while allowing efficient suppression of all mass interferences to reach the targeted sensitivity. Significantly, a quantification limit of 57 ng Se L-1 (72 femtomoles of injected Se was achieved, the samples issued from the pharmacological assays being directly introduced into the LC-ICP-MS system. The established method was successfully

Detecting anomalies in crowded scenes via locality-constrained affine subspace coding

Science.gov (United States)

Fan, Yaxiang; Wen, Gongjian; Qiu, Shaohua; Li, Deren

2017-07-01

Video anomaly event detection is the process of finding an abnormal event deviation compared with the majority of normal or usual events. The main challenges are the high structure redundancy and the dynamic changes in the scenes that are in surveillance videos. To address these problems, we present a framework for anomaly detection and localization in videos that is based on locality-constrained affine subspace coding (LASC) and a model updating procedure. In our algorithm, LASC attempts to reconstruct the test sample by its top-k nearest subspaces, which are obtained by segmenting the normal samples space using a clustering method. A sample with a large reconstruction cost is detected as abnormal by setting a threshold. To adapt to the scene changes over time, a model updating strategy is proposed. We experiment on two public datasets: the UCSD dataset and the Avenue dataset. The results demonstrate that our method achieves competitive performance at a 700 fps on a single desktop PC.

Affinity for a malignant tumor and organs at the elements in group VIII of the periodic table

International Nuclear Information System (INIS)

Ando, Atsushi; Hisada, Kinichi; Ando, Itsuko.

1975-01-01

In order to investigate the tumor affinity of the radioisotopes, iron(Fe-59), cobalt(Co-58), ruthenium(Ru-103), palladium(Pd-103), osmium(Os-185+191) and iridium(Ir-192), the elements of group VIII in the periodic table were examined, using rats which were subcutaneously transplanted with Yoshida sarcoma. Six preparations, 59 Fe-chloride, 58 Co-chloride, 103 Ru-chloride, 103 Pd-chloride, 185+191 Os-hexachlorosmic acid and 192 Ir-hexachloriridic acid were injected intravenously in to each group of tumor bearing rats. These rats were sacrificed at various periods after injection of each preparation: 3 hours, 24 hours and 48 hours in all preparations, except 59 Fe-chloride with 30 minutes, 3 hours, 24 hours and 48 hours. The radioactivities of the tumor, blood muscle, liver, kidney and spleen were measured by a well-type scintillation counter, and retention values (in every tissue including the tumor were calculated in percent of administered dose per g-tissue weight). 185+191 Os-hexachlorosmic acid had a considerably strong affinity for the malignant tumor. 59 Fe-chloride, 58 Co-chloride, 103 Ru-chloride, 103 Pd-chloride and 192 Ir-hexachloriridic acid did not have any affinity for the malignant tumor. However 59 Fe-chloride had a very strong affinity for blood corpuscles. 103 Pd-chloride had a fairly strong affinity for the kidney and liver, 58 Co-chloride had a fairly affinity for the liver, 103 Ru-chloride, 185+191 Os-hexachlorosmic acid and 192 Ir-hexachloriridic acid had a fairly strong affinity for the kidney. (Evans, J.)

Tandem affinity purification of histones, coupled to mass spectrometry, identifies associated proteins and new sites of post-translational modification in Saccharomyces cerevisiae.

Science.gov (United States)

Valero, M Luz; Sendra, Ramon; Pamblanco, Mercè

2016-03-16

Histones and their post-translational modifications contribute to regulating fundamental biological processes in all eukaryotic cells. We have applied a conventional tandem affinity purification strategy to histones H3 and H4 of the yeast Saccharomyces cerevisiae. Mass spectrometry analysis of the co-purified proteins revealed multiple associated proteins, including core histones, which indicates that tagged histones may be incorporated to the nucleosome particle. Among the many other co-isolated proteins there are histone chaperones, elements of chromatin remodeling, of nucleosome assembly/disassembly, and of histone modification complexes. The histone chaperone Rtt106p, two members of chromatin assembly FACT complex and Psh1p, an ubiquitin ligase, were the most abundant proteins obtained with both H3-TAP and H4-TAP, regardless of the cell extraction medium stringency. Our mass spectrometry analyses have also revealed numerous novel post-translational modifications, including 30 new chemical modifications in histones, mainly by ubiquitination. We have discovered not only new sites of ubiquitination but that, besides lysine, also serine and threonine residues are targets of ubiquitination on yeast histones. Our results show the standard tandem affinity purification procedure is suitable for application to yeast histones, in order to isolate and characterize histone-binding proteins and post-translational modifications, avoiding the bias caused by histone purification from a chromatin-enriched fraction. Copyright © 2016 Elsevier B.V. All rights reserved.

[Affinity of the elements in group VI of the periodic table to tumors and organs].

Science.gov (United States)

Ando, A; Hisada, K; Ando, I

1976-10-01

In order to investigate the tumor affinity radioisotopes, chromium (51Cr), molybdenum (99Mo), tungsten (181W), selenium (75Se) and tellurium (127mTe)--the elements of group VI in the periodic table--were examined, using the rats which were subcutaneously transplanted with Yoshida sarcoma. Seven preprarations, sodium chromate (Na251CrO4), chromium chloride (51CrCl3), normal ammonium molybdate ((NH4)299MoO7), sodium tungstate (Na2181WO4), sodium selenate (Na275SeO4), sodium selenite (Na275SeO3) and tellurous acid (H2127mTeO3) were injected intravenously to each group of tumor bearing rats. These rats were sacrificed at various periods after injection of each preparation: 3 hours, 24 hours and 48 hours in all preparations. The radioactivities of the tumor, blood, muscle, liver, kidney and spleen were measured by a well-type scintillation counter, and retention values (in every tissue including the tumor) were calculated in percent of administered dose per g-tissue weight. All of seven preparations did not have any affinity for malignant tumor. Na251CrO4 and H2127mTeO3 had some affinity for the kidneys, and Na275SeO3 had some affinity for the liver. Na2181WO4 and (NH4)299MoO4 disappeared very rapidly from the blood and soft tissue, and about seventy-five percent of radioactivity was excreted in urine within first 3 hours.

CONDOR: neutronic code for fuel elements calculation with rods

International Nuclear Information System (INIS)

Villarino, E.A.

1990-01-01

CONDOR neutronic code is used for the calculation of fuel elements formed by fuel rods. The method employed to obtain the neutronic flux is that of collision probabilities in a multigroup scheme on two-dimensional geometry. This code utilizes new calculation algorithms and normalization of such collision probabilities. Burn-up calculations can be made before the alternative of applying variational methods for response flux calculations or those corresponding to collision normalization. (Author) [es

Determination of Major and Minor Elements in the Code River Sediments

International Nuclear Information System (INIS)

Sri Murniasih; Sukirno; Bambang Irianto

2007-01-01

Analyze major and minor elements in the Code river sediments has been done. The aim of this research is to determine the concentration of major and minor elements in the Code river sediments from upstream to downstream. The instrument used were X-ray Fluorescence using Si(Li) detector. The results show that major elements were Fe (1.66 ± 0.1% - 4.20 ± 0.7%) and Ca (4.43 ± 0.6% - 9.08 ± 1.3%); while minor elements were Ba (178.791 ± 21.1 ppm - 616.56 ± 59.4 ppm); Sr (148.22 ± 21.9 ppm - 410.25 ± 30.5 ppm); and Zr (9.71 ± 1.1 ppm - 22.11 ± 3.4 ppm). ANAVA method (confidence level of α 0.05 ) for statistic test was used. It was showed that there were significant influence of the sampling location difference on the concentration of major and minor elements in the sediment samples. (author)

TACO: a finite element heat transfer code

International Nuclear Information System (INIS)

Mason, W.E. Jr.

1980-02-01

TACO is a two-dimensional implicit finite element code for heat transfer analysis. It can perform both linear and nonlinear analyses and can be used to solve either transient or steady state problems. Either plane or axisymmetric geometries can be analyzed. TACO has the capability to handle time or temperature dependent material properties and materials may be either isotropic or orthotropic. A variety of time and temperature dependent loadings and boundary conditions are available including temperature, flux, convection, and radiation boundary conditions and internal heat generation. Additionally, TACO has some specialized features such as internal surface conditions (e.g., contact resistance), bulk nodes, enclosure radiation with view factor calculations, and chemical reactive kinetics. A user subprogram feature allows for any type of functional representation of any independent variable. A bandwidth and profile minimization option is also available in the code. Graphical representation of data generated by TACO is provided by a companion post-processor named POSTACO. The theory on which TACO is based is outlined, the capabilities of the code are explained, the input data required to perform an analysis with TACO are described. Some simple examples are provided to illustrate the use of the code

Modeling of PHWR fuel elements using FUDA code

International Nuclear Information System (INIS)

Tripathi, Rahul Mani; Soni, Rakesh; Prasad, P.N.; Pandarinathan, P.R.

2008-01-01

The computer code FUDA (Fuel Design Analysis) is used for modeling PHWR fuel bundle operation history and carry out fuel element thermo-mechanical analysis. The radial temperature profile across fuel and sheath, fission gas release, internal gas pressure, sheath stress and strains during the life of fuel bundle are estimated

Mechanical modelling of PCI with FRAGEMA and CEA finite element codes

International Nuclear Information System (INIS)

Joseph, J.; Bernard, Ph.; Atabek, R.; Chantant, M.

1983-01-01

In the framework of their common program, CEA and FRAGEMA have undertaken the mechanical modelization of PCI. In the first step two different codes, TITUS and VERDON, have been tested by FRAGEMA and CEA respectively. Whereas the two codes use a finite element method to describe the thermomechanical behaviour of a fuel element, input models are not the same for the two codes: to take into account the presence of cracks in UO 2 , an axisymmetric two dimensional mesh pattern and the Druecker-Prager criterion are used in VERDON and a 3D equivalent method in TITUS. Two rods have been studied with these two methods: PRISCA 04bis and PRISCA 104 which were ramped in SILOE. The results show that the stresses and strains are the same with the two codes. These methods are further applied to the complete series of the common ramp test rods program of FRAGEMA and CEA. (author)

Application of Mass Lumped Higher Order Finite Elements

International Nuclear Information System (INIS)

J. Chen, H.R. Strauss, S.C. Jardin, W. Park, L.E. Sugiyama, G. Fu, J. Breslau

2005-01-01

There are many interesting phenomena in extended-MHD such as anisotropic transport, mhd, 2-fluid effects stellarator and hot particles. Any one of them challenges numerical analysts, and researchers are seeking for higher order methods, such as higher order finite difference, higher order finite elements and hp/spectral elements. It is true that these methods give more accurate solution than their linear counterparts. However, numerically they are prohibitively expensive. Here we give a successful solution of this conflict by applying mass lumped higher order finite elements. This type of elements not only keep second/third order accuracy but also scale closely to linear elements by doing mass lumping. This is especially true for second order lump elements. Full M3D and anisotropic transport models are studied

Three-dimensional modeling with finite element codes

Energy Technology Data Exchange (ETDEWEB)

Druce, R.L.

1986-01-17

This paper describes work done to model magnetostatic field problems in three dimensions. Finite element codes, available at LLNL, and pre- and post-processors were used in the solution of the mathematical model, the output from which agreed well with the experimentally obtained data. The geometry used in this work was a cylinder with ports in the periphery and no current sources in the space modeled. 6 refs., 8 figs.

ELEMENT MASSES IN THE CRAB NEBULA

Energy Technology Data Exchange (ETDEWEB)

Sibley, Adam R.; Katz, Andrea M.; Satterfield, Timothy J.; Vanderveer, Steven J.; MacAlpine, Gordon M. [Department of Physics and Astronomy, Trinity University, San Antonio, TX 78212 (United States)

2016-10-01

Using our previously published element abundance or mass-fraction distributions in the Crab Nebula, we derived actual mass distributions and estimates for overall nebular masses of hydrogen, helium, carbon, nitrogen, oxygen and sulfur. As with the previous work, computations were carried out for photoionization models involving constant hydrogen density and also constant nuclear density. In addition, employing new flux measurements for [Ni ii]  λ 7378, along with combined photoionization models and analytic computations, a nickel abundance distribution was mapped and a nebular stable nickel mass estimate was derived.

A code for obtaining temperature distribution by finite element method

International Nuclear Information System (INIS)

Bloch, M.

1984-01-01

The ELEFIB Fortran language computer code using finite element method for calculating temperature distribution of linear and two dimensional problems, in permanent region or in the transient phase of heat transfer, is presented. The formulation of equations uses the Galerkin method. Some examples are shown and the results are compared with other papers. The comparative evaluation shows that the elaborated code gives good values. (M.C.K.) [pt

Yucca Mountain Project thermal and mechanical codes first benchmark exercise: Part 3, Jointed rock mass analysis

International Nuclear Information System (INIS)

Costin, L.S.; Bauer, S.J.

1991-10-01

Thermal and mechanical models for intact and jointed rock mass behavior are being developed, verified, and validated at Sandia National Laboratories for the Yucca Mountain Site Characterization Project. Benchmarking is an essential part of this effort and is one of the tools used to demonstrate verification of engineering software used to solve thermomechanical problems. This report presents the results of the third (and final) phase of the first thermomechanical benchmark exercise. In the first phase of this exercise, nonlinear heat conduction code were used to solve the thermal portion of the benchmark problem. The results from the thermal analysis were then used as input to the second and third phases of the exercise, which consisted of solving the structural portion of the benchmark problem. In the second phase of the exercise, a linear elastic rock mass model was used. In the third phase of the exercise, two different nonlinear jointed rock mass models were used to solve the thermostructural problem. Both models, the Sandia compliant joint model and the RE/SPEC joint empirical model, explicitly incorporate the effect of the joints on the response of the continuum. Three different structural codes, JAC, SANCHO, and SPECTROM-31, were used with the above models in the third phase of the study. Each model was implemented in two different codes so that direct comparisons of results from each model could be made. The results submitted by the participants showed that the finite element solutions using each model were in reasonable agreement. Some consistent differences between the solutions using the two different models were noted but are not considered important to verification of the codes. 9 refs., 18 figs., 8 tabs

Identification of a High Affinity Nucleocapsid Protein Binding Element from The Bovine Leukemia Virus Genome

Science.gov (United States)

Yildiz, F. Zehra; Babalola, Kathleen; Summers, Michael F.

2012-01-01

Retroviral genome recognition is mediated by interactions between the nucleocapsid (NC) domain of the virally encoded Gag polyprotein and cognate RNA packaging elements that, for most retroviruses, appear to reside primarily within the 5′-untranslated region (5′-UTR) of the genome. Recent studies suggest that a major packaging determinant of Bovine Leukemia Virus (BLV), a member of the human T-cell leukemia virus (HTLV)/BLV family and a non-primate animal model for HTLV-induced leukemogenesis, resides within the gag open reading frame. We have prepared and purified the recombinant BLV NC protein and conducted electrophoretic mobility shift and isothermal titration calorimetry studies with RNA fragments corresponding to these proposed packaging elements. The gag-derived RNAs did not exhibit significant affinity for NC, suggesting an alternate role in packaging. However, an 83-nucleotide fragment of the 5′-UTR that resides just upstream of the gag start codon binds NC stoichiometrically and with high affinity (Kd = 136 ± 21 nM). These nucleotides were predicted to form tandem hairpin structures, and studies with smaller fragments indicate that the NC binding site resides exclusively within the distal hairpin (residues G369- U399, Kd = 67 ± 8 nM at physiological ionic strength). Unlike all other structurally characterized retroviral NC binding RNAs, this fragment is not expected to contain exposed guanosines, suggesting that RNA binding may be mediated by a previously uncharacterized mechanism. PMID:22846919

Finite element analysis of an inflatable torus considering air mass structural element

Science.gov (United States)

Gajbhiye, S. C.; Upadhyay, S. H.; Harsha, S. P.

2014-01-01

Inflatable structures, also known as gossamer structures, are at high boom in the current space technology due to their low mass and compact size comparing to the traditional spacecraft designing. Internal pressure becomes the major source of strength and rigidity, essentially stiffen the structure. However, inflatable space based membrane structure are at high risk to the vibration disturbance due to their low structural stiffness and material damping. Hence, the vibration modes of the structure should be known to a high degree of accuracy in order to provide better control authority. In the past, most of the studies conducted on the vibration analysis of gossamer structures used inaccurate or approximate theories in modeling the internal pressure. The toroidal shaped structure is one of the important key element in space application, helps to support the reflector in space application. This paper discusses the finite-element analysis of an inflated torus. The eigen-frequencies are obtained via three-dimensional small-strain elasticity theory, based on extremum energy principle. The two finite-element model (model-1 and model-2) have cases have been generated using a commercial finite-element package. The structure model-1 with shell element and model-2 with the combination of the mass of enclosed fluid (air) added to the shell elements have been taken for the study. The model-1 is computed with present analytical approach to understand the convergence rate and the accuracy. The convergence study is made available for the symmetric modes and anti-symmetric modes about the centroidal-axis plane, meeting the eigen-frequencies of an inflatable torus with the circular cross section. The structural model-2 is introduced with air mass element and analyzed its eigen-frequency with different aspect ratio and mode shape response using in-plane and out-plane loading condition are studied.

Protein-phosphotyrosine proteome profiling by superbinder-SH2 domain affinity purification mass spectrometry, sSH2-AP-MS.

Science.gov (United States)

Tong, Jiefei; Cao, Biyin; Martyn, Gregory D; Krieger, Jonathan R; Taylor, Paul; Yates, Bradley; Sidhu, Sachdev S; Li, Shawn S C; Mao, Xinliang; Moran, Michael F

2017-03-01

Recently, "superbinder" SH2 domain variants with three amino acid substitutions (sSH2) were reported to have 100-fold or greater affinity for protein-phosphotyrosine (pY) than natural SH2 domains. Here we report a protocol in which His-tagged Src sSH2 efficiently captures pY-peptides from protease-digested HeLa cell total protein extracts. Affinity purification of pY-peptides by this method shows little bias for pY-proximal amino acid sequences, comparable to that achieved by using antibodies to pY, but with equal or higher yield. Superbinder-SH2 affinity purification mass spectrometry (sSH2-AP-MS) therefore provides an efficient and economical approach for unbiased pY-directed phospho-proteome profiling without the use of antibodies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling approach for annular-fuel elements using the ASSERT-PV subchannel code

International Nuclear Information System (INIS)

Dominguez, A.N.; Rao, Y.

2012-01-01

The internally and externally cooled annular fuel (hereafter called annular fuel) is under consideration for a new high burn-up fuel bundle design in Atomic Energy of Canada Limited (AECL) for its current, and its Generation IV reactor. An assessment of different options to model a bundle fuelled with annular fuel elements is presented. Two options are discussed: 1) Modify the subchannel code ASSERT-PV to handle multiple types of elements in the same bundle, and 2) coupling ASSERT-PV with an external application. Based on this assessment, the selected option is to couple ASSERT-PV with the thermalhydraulic system code CATHENA. (author)

FLASH: A finite element computer code for variably saturated flow

International Nuclear Information System (INIS)

Baca, R.G.; Magnuson, S.O.

1992-05-01

A numerical model was developed for use in performance assessment studies at the INEL. The numerical model, referred to as the FLASH computer code, is designed to simulate two-dimensional fluid flow in fractured-porous media. The code is specifically designed to model variably saturated flow in an arid site vadose zone and saturated flow in an unconfined aquifer. In addition, the code also has the capability to simulate heat conduction in the vadose zone. This report presents the following: description of the conceptual frame-work and mathematical theory; derivations of the finite element techniques and algorithms; computational examples that illustrate the capability of the code; and input instructions for the general use of the code. The FLASH computer code is aimed at providing environmental scientists at the INEL with a predictive tool for the subsurface water pathway. This numerical model is expected to be widely used in performance assessments for: (1) the Remedial Investigation/Feasibility Study process and (2) compliance studies required by the US Department of Energy Order 5820.2A

Semantic enrichment of medical forms - semi-automated coding of ODM-elements via web services.

Science.gov (United States)

Breil, Bernhard; Watermann, Andreas; Haas, Peter; Dziuballe, Philipp; Dugas, Martin

2012-01-01

Semantic interoperability is an unsolved problem which occurs while working with medical forms from different information systems or institutions. Standards like ODM or CDA assure structural homogenization but in order to compare elements from different data models it is necessary to use semantic concepts and codes on an item level of those structures. We developed and implemented a web-based tool which enables a domain expert to perform semi-automated coding of ODM-files. For each item it is possible to inquire web services which result in unique concept codes without leaving the context of the document. Although it was not feasible to perform a totally automated coding we have implemented a dialog based method to perform an efficient coding of all data elements in the context of the whole document. The proportion of codable items was comparable to results from previous studies.

Improvement of implicit finite element code performance in deep drawing simulations by dynamics contributions

NARCIS (Netherlands)

Meinders, Vincent T.; van den Boogaard, Antonius H.; Huetink, Han

2003-01-01

To intensify the use of implicit finite element codes for solving large scale problems, the computation time of these codes has to be decreased drastically. A method is developed which decreases the computational time of implicit codes by factors. The method is based on introducing inertia effects

User's guide for vectorized code EQUIL for calculating equilibrium chemistry on Control Data STAR-100 computer

Science.gov (United States)

Kumar, A.; Graves, R. A., Jr.; Weilmuenster, K. J.

1980-01-01

A vectorized code, EQUIL, was developed for calculating the equilibrium chemistry of a reacting gas mixture on the Control Data STAR-100 computer. The code provides species mole fractions, mass fractions, and thermodynamic and transport properties of the mixture for given temperature, pressure, and elemental mass fractions. The code is set up for the electrons H, He, C, O, N system of elements. In all, 24 chemical species are included.

A framework for developing finite element codes for multi-disciplinary applications.

OpenAIRE

Dadvand, Pooyan

2007-01-01

The world of computing simulation has experienced great progresses in recent years and requires more exigent multidisciplinary challenges to satisfy the new upcoming demands. Increasing the importance of solving multi-disciplinary problems makes developers put more attention to these problems and deal with difficulties involved in developing software in this area. Conventional finite element codes have several difficulties in dealing with multi-disciplinary problems. Many of these codes are d...

Differential profiling of breast cancer plasma proteome by isotope-coded affinity tagging method reveals biotinidase as a breast cancer biomarker

International Nuclear Information System (INIS)

Kang, Un-Beom; Ahn, Younghee; Lee, Jong Won; Kim, Yong-Hak; Kim, Joon; Yu, Myeong-Hee; Noh, Dong-Young; Lee, Cheolju

2010-01-01

Breast cancer is one of the leading causes of women's death worldwide. It is important to discover a reliable biomarker for the detection of breast cancer. Plasma is the most ideal source for cancer biomarker discovery since many cells cross-communicate through the secretion of soluble proteins into blood. Plasma proteomes obtained from 6 breast cancer patients and 6 normal healthy women were analyzed by using the isotope-coded affinity tag (ICAT) labeling approach and tandem mass spectrometry. All the plasma samples used were depleted of highly abundant 6 plasma proteins by immune-affinity column chromatography before ICAT labeling. Several proteins showing differential abundance level were selected based on literature searches and their specificity to the commercially available antibodies, and then verified by immunoblot assays. A total of 155 proteins were identified and quantified by ICAT method. Among them, 33 proteins showed abundance changes by more than 1.5-fold between the plasmas of breast cancer patients and healthy women. We chose 5 proteins for the follow-up confirmation in the individual plasma samples using immunoblot assay. Four proteins, α1-acid glycoprotein 2, monocyte differentiation antigen CD14, biotinidase (BTD), and glutathione peroxidase 3, showed similar abundance ratio to ICAT result. Using a blind set of plasmas obtained from 21 breast cancer patients and 21 normal healthy controls, we confirmed that BTD was significantly down-regulated in breast cancer plasma (Wilcoxon rank-sum test, p = 0.002). BTD levels were lowered in all cancer grades (I-IV) except cancer grade zero. The area under the receiver operating characteristic curve of BTD was 0.78. Estrogen receptor status (p = 0.940) and progesterone receptor status (p = 0.440) were not associated with the plasma BTD levels. Our study suggests that BTD is a potential serological biomarker for the detection of breast cancer

Magnetic Microbead Affinity Selection Screening (MagMass) of Botanical Extracts for Inhibitors of 15-Lipoxygenase

Science.gov (United States)

Rush, Michael D.; Walker, Elisabeth M.; Burton, Tristesse; van Breemen, Richard B.

2016-01-01

To expedite the identification of active natural products in complex mixtures such as botanical extracts, a Magnetic Microbead Affinity Selection Screening (MagMASS) procedure was developed. This technique utilizes target proteins immobilized on magnetic beads for rapid bioaffinity isolation of ligands from complex mixtures. A MagMASS method was developed and validated for 15-lipoxygenase. As a proof of concept, several North American prairie plants used medicinally by Native Americans were extracted with MeOH and screened. A hit from an extract of Proserpinaca palustris, also known as mermaid weed, was flagged for further characterization using high-resolution tandem mass spectrometry, dereplication, and identification using XCMS online. Through the application of high-resolution product ion tandem mass spectrometry, comparison with natural product databases and confirmation using standards, the hit was identified as quercitrin, which is a known inhibitor of 15-lipoxygenase. The overall workflow of MagMASS is faster and more amendable to automation than alternative methods designed for screening botanical extracts or complex mixtures of combinatorial libraries. PMID:27802026

Finite element methods in a simulation code for offshore wind turbines

Science.gov (United States)

Kurz, Wolfgang

1994-06-01

Offshore installation of wind turbines will become important for electricity supply in future. Wind conditions above sea are more favorable than on land and appropriate locations on land are limited and restricted. The dynamic behavior of advanced wind turbines is investigated with digital simulations to reduce time and cost in development and design phase. A wind turbine can be described and simulated as a multi-body system containing rigid and flexible bodies. Simulation of the non-linear motion of such a mechanical system using a multi-body system code is much faster than using a finite element code. However, a modal representation of the deformation field has to be incorporated in the multi-body system approach. The equations of motion of flexible bodies due to deformation are generated by finite element calculations. At Delft University of Technology the simulation code DUWECS has been developed which simulates the non-linear behavior of wind turbines in time domain. The wind turbine is divided in subcomponents which are represented by modules (e.g. rotor, tower etc.).

FEAST: a two-dimensional non-linear finite element code for calculating stresses

International Nuclear Information System (INIS)

Tayal, M.

1986-06-01

The computer code FEAST calculates stresses, strains, and displacements. The code is two-dimensional. That is, either plane or axisymmetric calculations can be done. The code models elastic, plastic, creep, and thermal strains and stresses. Cracking can also be simulated. The finite element method is used to solve equations describing the following fundamental laws of mechanics: equilibrium; compatibility; constitutive relations; yield criterion; and flow rule. FEAST combines several unique features that permit large time-steps in even severely non-linear situations. The features include a special formulation for permitting many finite elements to simultaneously cross the boundary from elastic to plastic behaviour; accomodation of large drops in yield-strength due to changes in local temperature and a three-step predictor-corrector method for plastic analyses. These features reduce computing costs. Comparisons against twenty analytical solutions and against experimental measurements show that predictions of FEAST are generally accurate to ± 5%

Identification of Thioredoxin Disulfide Targets Using a Quantitative Proteomics Approach Based on Isotope-Coded Affinity Tags

DEFF Research Database (Denmark)

Hägglund, Per; Bunkenborg, Jakob; Maeda, Kenji

2008-01-01

Thioredoxin (Trx) is a ubiquitous protein disulfide reductase involved in a wide range of cellular redox processes. A large number of putative target proteins have been identified using proteomics approaches, but insight into target specificity at the molecular level is lacking since the reactivity...... of Trx toward individual disulfides has not been quantified. Here, a novel proteomics procedure is described for quantification of Trx-mediated target disulfide reduction based on thiol-specific differential labeling with the iodoacetamide-based isotope-coded affinity tag (ICAT) reagents. Briefly......, protein extract of embryos from germinated barley seeds was treated +/- Trx, and thiols released from target protein disulfides were irreversibly blocked with iodoacetamide. The remaining cysteine residues in the Trx-treated and the control (-Trx) samples were then chemically reduced and labeled...

Proton affinities of maingroup-element hydrides and noble gases: trends across the periodic table, structural effects, and DFT validation.

Science.gov (United States)

Swart, Marcel; Rösler, Ernst; Bickelhaupt, F Matthias

2006-10-01

We have carried out an extensive exploration of the gas-phase basicity of archetypal neutral bases across the periodic system using the generalized gradient approximation (GGA) of the density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. First, we validate DFT as a reliable tool for computing proton affinities and related thermochemical quantities: BP86/QZ4P//BP86/TZ2P is shown to yield a mean absolute deviation of 2.0 kcal/mol for the proton affinity at 298 K with respect to experiment, and 1.2 kcal/mol with high-level ab initio benchmark data. The main purpose of this work is to provide the proton affinities (and corresponding entropies) at 298 K of the neutral bases constituted by all maingroup-element hydrides of groups 15-17 and the noble gases, that is, group 18, and periods 1-6. We have also studied the effect of step-wise methylation of the protophilic center of the second- and third-period bases. Copyright 2006 Wiley Periodicals, Inc.

Development of three-dimensional transport code by the double finite element method

International Nuclear Information System (INIS)

Fujimura, Toichiro

1985-01-01

Development of a three-dimensional neutron transport code by the double finite element method is described. Both of the Galerkin and variational methods are adopted to solve the problem, and then the characteristics of them are compared. Computational results of the collocation method, developed as a technique for the vaviational one, are illustrated in comparison with those of an Ssub(n) code. (author)

Analysis of piping systems by finite element method using code SAP-IV

International Nuclear Information System (INIS)

Cizelj, L.; Ogrizek, D.

1987-01-01

Due to extensive and multiple use of the computer code SAP-IV we have decided to install it on VAX 11/750 machine. Installation required a large quantity of programming due to great discrepancies between the CDC (the original program version) and the VAX. Testing was performed basically in the field of pipe elements, based on a comparison between results obtained with the codes PSAFE2, DOCIJEV, PIPESD and SAP -V. Besides, the model of reactor pressure vessel with 3-D thick shell elements was done. The capabilities show good agreement with the results of other programs mentioned above. Along with the package installation, the graphical postprocessors being developed for mesh plotting. (author)

Simulation of heat and mass transfer in boiling water with the Melodif code

International Nuclear Information System (INIS)

Freydier, P.; Chen, O.; Olive, J.; Simonin, O.

1991-04-01

The Melodif code is developed at Electricite de France, Research and Development Division. It is an eulerian two dimensional code for the simulation of turbulent two phase flows (a three dimensional code derived from Melodif, ASTRID, is currently being prepared). Melodif is based on the two fluid model, solving the equations of conservation for mass, momentum and energy, for both phases. In such a two fluid model, the description of interfacial transfers between phases is a crucial issue. The model used applies to a dominant continuous phase, and a dispersed phase. A good description of interfacial momentum transfer exists in the standard MELODIF code: the drag force, the apparent mass force... are taken into account. An important factor for interfacial transfers is the interfacial area per volume unit. With the assumption of spherical gas bubbles, an equation has been written for this variable. In the present wok, a model has been tested for interfacial heat and mass transfer in the case of boiling water: it is assumed that mass transfer is controlled by heat transfer through the latent massic energy taken in the phase that vaporizes (or condenses). This heat and mass transfer model has been tested in various configurations: - a cylinder with water flowing inside, is being heated. Boiling takes place near the wall, while bubbles migrating to the core of the flow recondense. This roughly simulates a sub-cooled boiling phenomenon. - a box containing liquid water is depressurized. Boiling takes place in the whole volume of the fluid. The Melodif code can simulate this configuration due to the implicitation of the relation between interphase mass transfer and the pressure variable

Calculation of mass flow and steam quality distribution on fuel elements of light-water cooled boiling water nuclear reactors

International Nuclear Information System (INIS)

Hermanns, H.J.

1977-04-01

By the example of light-water cooled nuclear reactors, the state of the calculation methods at disposal for calculating mass flow and steam quality distribution (sub-channel analysis) is indicated. Particular regard was paid to the transport phenomena occurring in reactor fuel elements in the range of two phase flow. Experimentally determined values were compared with recalculations of these experiments with the sub-channel code COBRA; from the results of these comparing calculations, conclusions could be drawn on the suitability of this code for defined applications. Limits of reliability could be determined to some extent. Based on the experience gained and the study of individual physical model concepts, recognized as being important, a sub-channel model was drawn up and the corresponding numerical computer code (SIEWAS) worked out. Experiments made at GE could be reproduced with the code SIEWAS with sufficient accuracy. (orig.) [de

Methyl Cation Affinities of Neutral and Anionic Maingroup-Element Hydrides: Trends Across the Periodic Table and Correlation with Proton Affinities

NARCIS (Netherlands)

Mulder, R. Joshua; Guerra, Celia Fonseca; Bickelhaupt, F. Matthias

2010-01-01

We have computed the methyl cation affinities in the gas phase of archetypal anionic and neutral bases across the periodic table using ZORA-relativistic density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. The main purpose of this work is to provide the methyl cation affinities (and

A novel strategy using MASCOT Distiller for analysis of cleavable isotope-coded affinity tag data to quantify protein changes in plasma.

Science.gov (United States)

Leung, Kit-Yi; Lescuyer, Pierre; Campbell, James; Byers, Helen L; Allard, Laure; Sanchez, Jean-Charles; Ward, Malcolm A

2005-08-01

A novel strategy consisting of cleavable Isotope-Coded Affinity Tag (cICAT) combined with MASCOT Distiller was evaluated as a tool for the quantification of proteins in "abnormal" patient plasma, prepared by pooling samples from patients with acute stroke. Quantification of all light and heavy cICAT-labelled peptide ion pairs was obtained using MASCOT Distiller combined with a proprietary software. Peptides displaying differences were selected for identification by MS. These preliminary results show the promise of our approach to identify potential biomarkers.

Axisym finite element code: modifications for pellet-cladding mechanical interaction analysis

International Nuclear Information System (INIS)

Engelman, G.P.

1978-10-01

Local strain concentrations in nuclear fuel rods are known to be potential sites for failure initiation. Assessment of such strain concentrations requires a two-dimensional analysis of stress and strain in both the fuel and the cladding during pellet-cladding mechanical interaction. To provide such a capability in the FRAP (Fuel Rod Analysis Program) codes, the AXISYM code (a small finite element program developed at the Idaho National Engineering Laboratory) was modified to perform a detailed fuel rod deformation analysis. This report describes the modifications which were made to the AXISYM code to adapt it for fuel rod analysis and presents comparisons made between the two-dimensional AXISYM code and the FRACAS-II code. FRACAS-II is the one-dimensional (generalized plane strain) fuel rod mechanical deformation subcode used in the FRAP codes. Predictions of these two codes should be comparable away from the fuel pellet free ends if the state of deformation at the pellet midplane is near that of generalized plane strain. The excellent agreement obtained in these comparisons checks both the correctness of the AXISYM code modifications as well as the validity of the assumption of generalized plane strain upon which the FRACAS-II subcode is based

A Novel Synthesis Routine for Woodwardite and Its Affinity towards Light (La, Ce, Nd and Heavy (Gd and Y Rare Earth Elements

Directory of Open Access Journals (Sweden)

Sirio Consani

2018-01-01

Full Text Available A synthetic Cu-Al-SO4 layered double hydroxide (LDH, analogue to the mineral woodwardite [Cu1−xAlx(SO4x/2(OH2·nH2O], with x < 0.5 and n ≤ 3x/2, was synthesised by adding a solution of Cu and Al sulphates to a solution with NaOH. The pH values were kept constant at 8.0 and 10.0 by a continuous addition of NaOH. The material obtained had poor crystallinity, turbostratic structure, and consisted of nanoscopic crystallites. The analyses performed in order to characterise the obtained materials (X-ray diffraction (XRD, thermogravimetry (TG, and Fourier Transform Infra-Red (FTIR spectroscopy showed that the Cu-Al-SO4 LDH is very similar to woodwardite, although it has a smaller layer spacing, presumably due to a lesser water content than in natural samples. The synthesis was performed by adding light rare earth elements (LREEs (La, Ce, and Nd and heavy rare earth elements (HREEs (Gd and Y in order to test the affinity of the Cu-Al-SO4 LDH to the incorporation of REEs. The concentration of rare earth elements (REEs in the solid fraction was in the range of 3.5–8 wt %. The results showed a good affinity for HREE and Nd, especially for materials synthesised at pH 10.0, whereas the affinities for Ce and La were much lower or non-existent. The thermal decomposition of the REE-doped materials generates a mixture of Cu, Al, and REE oxides, making them interesting as precursors in REE oxide synthesis.

STAT, GAPS, STRAIN, DRWDIM: a system of computer codes for analyzing HTGR fuel test element metrology data. User's manual

Energy Technology Data Exchange (ETDEWEB)

Saurwein, J.J.

1977-08-01

A system of computer codes has been developed to statistically reduce Peach Bottom fuel test element metrology data and to compare the material strains and fuel rod-fuel hole gaps computed from these data with HTGR design code predictions. The codes included in this system are STAT, STRAIN, GAPS, and DRWDIM. STAT statistically evaluates test element metrology data yielding fuel rod, fuel body, and sleeve irradiation-induced strains; fuel rod anisotropy; and additional data characterizing each analyzed fuel element. STRAIN compares test element fuel rod and fuel body irradiation-induced strains computed from metrology data with the corresponding design code predictions. GAPS compares test element fuel rod, fuel hole heat transfer gaps computed from metrology data with the corresponding design code predictions. DRWDIM plots the measured and predicted gaps and strains. Although specifically developed to expedite the analysis of Peach Bottom fuel test elements, this system can be applied, without extensive modification, to the analysis of Fort St. Vrain or other HTGR-type fuel test elements.

On affine variety codes from the Klein quartic

DEFF Research Database (Denmark)

Geil, Hans Olav; Ozbudak, Ferruh

2018-01-01

as the best known codes according to Grassl (2007) and in the remaining few cases the parameters are almost as good. To establish the code parameters we apply the footprint bound (Geil and Høholdt, IEEE Trans. Inform. Theory 46(2), 635–641, 2000 and Høholdt 1998) from Gröbner basis theory and for this purpose...

[Relation between location of elements in periodic table and affinity for the malignant tumor (author's transl)].

Science.gov (United States)

Ando, A; Hisada, K; Ando, I

1977-10-01

Affinity of many inorganic compounds for the malignant tumor was examined, using the rats which were subcutaneously transplanted with Yoshida sarcoma. And the relations between the uptake rate into the malignant tumor and in vitro binding power to the protein were investigated in these compounds. In these experiments, the bipositive ions and anions had not affinity for the tumor tissue with a few exceptions. On the other hand, Hg, Au and Bi, which have strong binding power to the protein, showed high uptake rate into the malignant tumor. As Hg++, Au+ and Bi+++ are soft acids according to classification of Lewis acids, it was thought that these elements would bind strongly to soft base (R-SH, R-S-) present in the tumor tissue. In many hard acids (according to classification of Lewis acids), the uptake rate into the tumor was shown as a function of ionic potentials (valency/ionic radii) of the metal ions. It is presumed that the chemical bond of these hard acids in the tumor tissue is ionic bond to hard base (R-COO-, R-PO3(2-), R-SO3-, R-NH2).

Compound immobilization and drug-affinity chromatography.

Science.gov (United States)

Rix, Uwe; Gridling, Manuela; Superti-Furga, Giulio

2012-01-01

Bioactive small molecules act through modulating a yet unpredictable number of targets. It is therefore of critical importance to define the cellular target proteins of a compound as an entry point to understanding its mechanism of action. Often, this can be achieved in a direct fashion by chemical proteomics. As with any affinity chromatography, immobilization of the bait to a solid support is one of the earliest and most crucial steps in the process. Interfering with structural features that are important for identification of a target protein will be detrimental to binding affinity. Also, many molecules are sensitive to heat or to certain chemicals, such as acid or base, and might be destroyed during the process of immobilization, which therefore needs to be not only efficient, but also mild. The subsequent affinity chromatography step needs to preserve molecular and conformational integrity of both bait compound and proteins in order to result in the desired specific enrichment while ensuring a high level of compatibility with downstream analysis by mass spectrometry. Thus, the right choice of detergent, buffer, and protease inhibitors is also essential. This chapter describes a widely applicable procedure for the immobilization of small molecule drugs and for drug-affinity chromatography with subsequent protein identification by mass spectrometry.

SAFE: A computer code for the steady-state and transient thermal analysis of LMR fuel elements

International Nuclear Information System (INIS)

Hayes, S.L.

1993-12-01

SAFE is a computer code developed for both the steady-state and transient thermal analysis of single LMR fuel elements. The code employs a two-dimensional control-volume based finite difference methodology with fully implicit time marching to calculate the temperatures throughout a fuel element and its associated coolant channel for both the steady-state and transient events. The code makes no structural calculations or predictions whatsoever. It does, however, accept as input structural parameters within the fuel such as the distributions of porosity and fuel composition, as well as heat generation, to allow a thermal analysis to be performed on a user-specified fuel structure. The code was developed with ease of use in mind. An interactive input file generator and material property correlations internal to the code are available to expedite analyses using SAFE. This report serves as a complete design description of the code as well as a user's manual. A sample calculation made with SAFE is included to highlight some of the code's features. Complete input and output files for the sample problem are provided

A comparison of two three-dimensional shell-element transient electromagnetics codes

International Nuclear Information System (INIS)

Yugo, J.J.; Williamson, D.E.

1992-01-01

Electromagnetic forces due to eddy currents strongly influence the design of components for the next generation of fusion devices. An effort has been made to benchmark two computer programs used to generate transient electromagnetic loads: SPARK and EddyCuFF. Two simple transient field problems were analyzed, both of which had been previously analyzed by the SPARK code with results recorded in the literature. A third problem that uses an ITER inboard blanket benchmark model was analyzed as well. This problem was driven with a self-consistent, distributed multifilament plasma model generated by an axisymmetric physics code. The benchmark problems showed good agreement between the two shell-element codes. Variations in calculated eddy currents of 1--3% have been found for similar, finely meshed models. A difference of 8% was found in induced current and 20% in force for a coarse mesh and complex, multifilament field driver. Because comparisons were made to results obtained from literature, model preparation and code execution times were not evaluated

Development of a three-dimensional neutron transport code DFEM based on the double finite element method

International Nuclear Information System (INIS)

Fujimura, Toichiro

1996-01-01

A three-dimensional neutron transport code DFEM has been developed by the double finite element method to analyze reactor cores with complex geometry as large fast reactors. Solution algorithm is based on the double finite element method in which the space and angle finite elements are employed. A reactor core system can be divided into some triangular and/or quadrangular prism elements, and the spatial distribution of neutron flux in each element is approximated with linear basis functions. As for the angular variables, various basis functions are applied, and their characteristics were clarified by comparison. In order to enhance the accuracy, a general method is derived to remedy the truncation errors at reflective boundaries, which are inherent in the conventional FEM. An adaptive acceleration method and the source extrapolation method were applied to accelerate the convergence of the iterations. The code structure is outlined and explanations are given on how to prepare input data. A sample input list is shown for reference. The eigenvalue and flux distribution for real scale fast reactors and the NEA benchmark problems were presented and discussed in comparison with the results of other transport codes. (author)

Industrial applications of N3S finite element code

International Nuclear Information System (INIS)

Chabard, J.P.; Pot, G.; Martin, A.

1993-12-01

The Research and Development Division of EDF (French utilities) has been working since 1982 on N3S, a 3D finite element code for simulating turbulent incompressible flows (Chabard et al., 1992) which has many applications nowadays dealing with internal flows, thermal hydraulics (Delenne and Pot, 1993), turbomachinery (Combes and Rieutord, 1992). The size of these applications is larger and larger: calculations until 350 000 nodes are in progress (around 2 000 000 unknowns). To achieve so large applications, an important work has been done on the choice of efficient algorithms and on their implementation in order to reduce CPU time and memory allocation. The paper presents the central algorithm of the code, focusing on time and memory optimization. As an illustration, validation test cases and a recent industrial application are discussed. (authors). 11 figs., 2 tabs., 11 refs

Affinity biosensors: techniques and protocols

National Research Council Canada - National Science Library

Rogers, Kim R; Mulchandani, Ashok

1998-01-01

..., and government to begin or expand their biosensors research. This volume, Methods in Biotechnology vol. 7: Affinity Biosensors: Techniques and Protocols, describes a variety of classical and emerging transduction technologies that have been interfaced to bioaffinity elements (e.g., antibodies and receptors). Some of the reas...

Anisotropic damping of Timoshenko beam elements

Energy Technology Data Exchange (ETDEWEB)

Hansen, M.H.

2001-05-01

This report contains a description of a structural damping model for Timoshenko beam elements used in the aeroelastic code HawC developed at Risoe for modeling wind turbines. The model has been developed to enable modeling of turbine blades which often have different damping characteristics for flapwise, edgewise and torsional vibrations. The structural damping forces acting on the beam element are modeled by viscous damping described by an element damping matrix. The composition of this matrix is based on the element mass and stiffness matrices. It is shown how the coefficients for the mass and stiffness contributions can be calibrated to give the desired modal damping in the complete model of a blade. (au)

Computing element evolution towards Exascale and its impact on legacy simulation codes

International Nuclear Information System (INIS)

Colin de Verdiere, Guillaume J.L.

2015-01-01

In the light of the current race towards the Exascale, this article highlights the main features of the forthcoming computing elements that will be at the core of next generations of supercomputers. The market analysis, underlying this work, shows that computers are facing a major evolution in terms of architecture. As a consequence, it is important to understand the impacts of those evolutions on legacy codes or programming methods. The problems of dissipated power and memory access are discussed and will lead to a vision of what should be an exascale system. To survive, programming languages had to respond to the hardware evolutions either by evolving or with the creation of new ones. From the previous elements, we elaborate why vectorization, multithreading, data locality awareness and hybrid programming will be the key to reach the exascale, implying that it is time to start rewriting codes. (orig.)

Computing element evolution towards Exascale and its impact on legacy simulation codes

Science.gov (United States)

Colin de Verdière, Guillaume J. L.

2015-12-01

In the light of the current race towards the Exascale, this article highlights the main features of the forthcoming computing elements that will be at the core of next generations of supercomputers. The market analysis, underlying this work, shows that computers are facing a major evolution in terms of architecture. As a consequence, it is important to understand the impacts of those evolutions on legacy codes or programming methods. The problems of dissipated power and memory access are discussed and will lead to a vision of what should be an exascale system. To survive, programming languages had to respond to the hardware evolutions either by evolving or with the creation of new ones. From the previous elements, we elaborate why vectorization, multithreading, data locality awareness and hybrid programming will be the key to reach the exascale, implying that it is time to start rewriting codes.

Finite Macro-Element Mesh Deformation in a Structured Multi-Block Navier-Stokes Code

Science.gov (United States)

Bartels, Robert E.

2005-01-01

A mesh deformation scheme is developed for a structured multi-block Navier-Stokes code consisting of two steps. The first step is a finite element solution of either user defined or automatically generated macro-elements. Macro-elements are hexagonal finite elements created from a subset of points from the full mesh. When assembled, the finite element system spans the complete flow domain. Macro-element moduli vary according to the distance to the nearest surface, resulting in extremely stiff elements near a moving surface and very pliable elements away from boundaries. Solution of the finite element system for the imposed boundary deflections generally produces smoothly varying nodal deflections. The manner in which distance to the nearest surface has been found to critically influence the quality of the element deformation. The second step is a transfinite interpolation which distributes the macro-element nodal deflections to the remaining fluid mesh points. The scheme is demonstrated for several two-dimensional applications.

Using the ion microprobe mass analyser for trace element analysis

International Nuclear Information System (INIS)

Schilling, J.H.

1978-01-01

Most techniques for the analysis of trace elements are capable of determining the concentrations in a bulk sample or solution, but without reflecting their distribution. In a bulk analysis therefore elements which occur in high concentration in a few precipitates would still be considered trace elements even though their local concentration greatly exceed the normally accepted trace elements concentration limit. Anomalous distribution is also shown by an oxide layer, a few hundred Angstrom thick, on an aluminium sample. A low oxide concentration would be reported if it were included in the bulk analysis, which contradicts the high surface concentration. The importance of a knowledge of the trace element distribution is therefore demonstrated. Distributional trace element analysis can be carried out using the ion microprobe mass analyser (IMMA). Since the analytical technique used in this instrument, namely secondary ion mass spectrometry (SIMS), is not universally appreciated, the instrument and its features will be described briefly followed by a discussion of quantitative analysis and the related subjects of detection limit and sample consumption. Finally, a few examples of the use of the instrument are given

Supramolecular Affinity Chromatography for Methylation-Targeted Proteomics.

Science.gov (United States)

Garnett, Graham A E; Starke, Melissa J; Shaurya, Alok; Li, Janessa; Hof, Fraser

2016-04-05

Proteome-wide studies of post-translationally methylated species using mass spectrometry are complicated by high sample diversity, competition for ionization among peptides, and mass redundancies. Antibody-based enrichment has powered methylation proteomics until now, but the reliability, pan-specificity, polyclonal nature, and stability of the available pan-specific antibodies are problematic and do not provide a standard, reliable platform for investigators. We have invented an anionic supramolecular host that can form host-guest complexes selectively with methyllysine-containing peptides and used it to create a methylysine-affinity column. The column resolves peptides on the basis of methylation-a feat impossible with a comparable commercial cation-exchange column. A proteolyzed nuclear extract was separated on the methyl-affinity column prior to standard proteomics analysis. This experiment demonstrates that such chemical methyl-affinity columns are capable of enriching and improving the analysis of methyllysine residues from complex protein mixtures. We discuss the importance of this advance in the context of biomolecule-driven enrichment methods.

Thermokinetic model of borosilicate glass dissolution: contextual affinity

International Nuclear Information System (INIS)

Advocat, T.; Vernaz, E.; Crovisier, J.L.; Fritz, B.

1989-01-01

Short and long-term geochemical interactions of R7T7 nuclear glass with water at 100 0 C were simulated with the DISSOL thermokinetic computer code. Both the dissolved glass quantity and the resulting water composition, saturation states and mineral quantities produced were calculated as a function of time. The rate equation used in the simulation was first proposed by Aagaard and Helgeson. It simulates a gradually diminishing dissolution rate as the reaction affinity diminishes. The best agreement with 1-year experimental data was obtained with a reaction affinity calculated from silica activity (Grambow's hypothesis) rather than taking into account the activity of all the glass components as proposed by Jantzen and Plodinec. The concept of residual affinity was introduced by Grambow to express the fact that the glass dissolution rate does not cease. We prefer to replace the term residual affinity by contextual affinity, which expresses the influence on the dissolution rate of three factors: the solution chemistry, the metastability of SiO 2 (m), and the possible precipitation of certain aluminosilicates such as zeolites. 19 refs

HEAVY-ELEMENT ENRICHMENT OF A JUPITER-MASS PROTOPLANET AS A FUNCTION OF ORBITAL LOCATION

International Nuclear Information System (INIS)

Helled, R.; Schubert, G.

2009-01-01

One possible mechanism for giant planet formation is disk instability in which the planet is formed as a result of gravitational instability in the protoplanetary disk surrounding the young star. The final composition and core mass of the planet will depend on the planet's mass, environment, and the planetesimal accretion efficiency. We calculate heavy-element enrichment in a Jupiter-mass protoplanet formed by disk instability at various radial distances from the star, considering different disk masses and surface density distributions. Although the available mass for accretion increases with radial distance (a) for disk solid surface density (σ) functions σ = σ 0 a -α with α 5 years of planetary evolution, when the planet is extended and before gap opening and type II migration take place. The accreted mass is calculated for disk masses of 0.01, 0.05, and 0.1 M sun with α = 1/2, 1, and 3/2. We show that a Jupiter-mass protoplanet can accrete 1-110 M + of heavy elements, depending on the disk properties. Due to the limitation on the accretion timescale, our results provide lower bounds on heavy-element enrichment. Our results can explain the large variation in heavy-element enrichment found in extrasolar giant planets. Since higher disk surface density is found to lead to larger heavy-element enrichment, our model results are consistent with the correlation between heavy-element enrichment and stellar metallicity. Our calculations also suggest that Jupiter could have formed at a larger radial distance than its current location while still accreting the mass of heavy elements predicted by interior models. We conclude that in the disk instability model the final composition of a giant planet is strongly determined by its formation environment. The heavy-element abundance of a giant planet does not discriminate between its origin by either disk instability or core accretion.

The Aster code; Code Aster

Energy Technology Data Exchange (ETDEWEB)

Delbecq, J.M

1999-07-01

The Aster code is a 2D or 3D finite-element calculation code for structures developed by the R and D direction of Electricite de France (EdF). This dossier presents a complete overview of the characteristics and uses of the Aster code: introduction of version 4; the context of Aster (organisation of the code development, versions, systems and interfaces, development tools, quality assurance, independent validation); static mechanics (linear thermo-elasticity, Euler buckling, cables, Zarka-Casier method); non-linear mechanics (materials behaviour, big deformations, specific loads, unloading and loss of load proportionality indicators, global algorithm, contact and friction); rupture mechanics (G energy restitution level, restitution level in thermo-elasto-plasticity, 3D local energy restitution level, KI and KII stress intensity factors, calculation of limit loads for structures), specific treatments (fatigue, rupture, wear, error estimation); meshes and models (mesh generation, modeling, loads and boundary conditions, links between different modeling processes, resolution of linear systems, display of results etc..); vibration mechanics (modal and harmonic analysis, dynamics with shocks, direct transient dynamics, seismic analysis and aleatory dynamics, non-linear dynamics, dynamical sub-structuring); fluid-structure interactions (internal acoustics, mass, rigidity and damping); linear and non-linear thermal analysis; steels and metal industry (structure transformations); coupled problems (internal chaining, internal thermo-hydro-mechanical coupling, chaining with other codes); products and services. (J.S.)

Affine field theories

International Nuclear Information System (INIS)

Cadavid, A.C.

1989-01-01

The author constructs a non-Abelian field theory by gauging a Kac-Moody algebra, obtaining an infinite tower of interacting vector fields and associated ghosts, that obey slightly modified Feynman rules. She discusses the spontaneous symmetry breaking of such theory via the Higgs mechanism. If the Higgs particle lies in the Cartan subalgebra of the Kac-Moody algebra, the previously massless vectors acquire a mass spectrum that is linear in the Kac-Moody index and has additional fine structure depending on the associated Lie algebra. She proceeds to show that there is no obstacle in implementing the affine extension of supersymmetric Yang-Mills theories. The result is valid in four, six and ten space-time dimensions. Then the affine extension of supergravity is investigated. She discusses only the loop algebra since the affine extension of the super-Poincare algebra appears inconsistent. The construction of the affine supergravity theory is carried out by the group manifold method and leads to an action describing infinite towers of spin 2 and spin 3/2 fields that interact subject to the symmetries of the loop algebra. The equations of motion satisfy the usual consistency check. Finally, she postulates a theory in which both the vector and scalar fields lie in the loop algebra of SO(3). This theory has an expanded soliton sector, and corresponding to the original 't Hooft-Polyakov solitonic solutions she now finds an infinite family of exact, special solutions of the new equations. She also proposes a perturbation method for obtaining an arbitrary solution of those equations for each level of the affine index

Empirical Coulomb matrix elements and the mass of 22Al

International Nuclear Information System (INIS)

Whitehead, R.R.; Watt, A.; Kelvin, D.; Rutherford, H.J.

1976-01-01

An attempt has been made to obtain a set of Coulomb matrix elements which fit the known Coulomb energy shifts in the nuclei of mass 18 to 22. The interaction obtained fits the data well with only a few exceptions, one of these being the Coulomb shift of the notorious third 0 + state in 18 Ne. These Coulomb matrix elements are used together with the Chung-Wildenthal interaction to obtain a new prediction for the mass excess of 22 Al. The results indicate that 22 Al should be bound against proton emission. (Auth.)

CONDOR: a database resource of developmentally associated conserved non-coding elements

Directory of Open Access Journals (Sweden)

Smith Sarah

2007-08-01

Full Text Available Abstract Background Comparative genomics is currently one of the most popular approaches to study the regulatory architecture of vertebrate genomes. Fish-mammal genomic comparisons have proved powerful in identifying conserved non-coding elements likely to be distal cis-regulatory modules such as enhancers, silencers or insulators that control the expression of genes involved in the regulation of early development. The scientific community is showing increasing interest in characterizing the function, evolution and language of these sequences. Despite this, there remains little in the way of user-friendly access to a large dataset of such elements in conjunction with the analysis and the visualization tools needed to study them. Description Here we present CONDOR (COnserved Non-coDing Orthologous Regions available at: http://condor.fugu.biology.qmul.ac.uk. In an interactive and intuitive way the website displays data on > 6800 non-coding elements associated with over 120 early developmental genes and conserved across vertebrates. The database regularly incorporates results of ongoing in vivo zebrafish enhancer assays of the CNEs carried out in-house, which currently number ~100. Included and highlighted within this set are elements derived from duplication events both at the origin of vertebrates and more recently in the teleost lineage, thus providing valuable data for studying the divergence of regulatory roles between paralogs. CONDOR therefore provides a number of tools and facilities to allow scientists to progress in their own studies on the function and evolution of developmental cis-regulation. Conclusion By providing access to data with an approachable graphics interface, the CONDOR database presents a rich resource for further studies into the regulation and evolution of genes involved in early development.

Detecting non-coding selective pressure in coding regions

Directory of Open Access Journals (Sweden)

Blanchette Mathieu

2007-02-01

Full Text Available Abstract Background Comparative genomics approaches, where orthologous DNA regions are compared and inter-species conserved regions are identified, have proven extremely powerful for identifying non-coding regulatory regions located in intergenic or intronic regions. However, non-coding functional elements can also be located within coding region, as is common for exonic splicing enhancers, some transcription factor binding sites, and RNA secondary structure elements affecting mRNA stability, localization, or translation. Since these functional elements are located in regions that are themselves highly conserved because they are coding for a protein, they generally escaped detection by comparative genomics approaches. Results We introduce a comparative genomics approach for detecting non-coding functional elements located within coding regions. Codon evolution is modeled as a mixture of codon substitution models, where each component of the mixture describes the evolution of codons under a specific type of coding selective pressure. We show how to compute the posterior distribution of the entropy and parsimony scores under this null model of codon evolution. The method is applied to a set of growth hormone 1 orthologous mRNA sequences and a known exonic splicing elements is detected. The analysis of a set of CORTBP2 orthologous genes reveals a region of several hundred base pairs under strong non-coding selective pressure whose function remains unknown. Conclusion Non-coding functional elements, in particular those involved in post-transcriptional regulation, are likely to be much more prevalent than is currently known. With the numerous genome sequencing projects underway, comparative genomics approaches like that proposed here are likely to become increasingly powerful at detecting such elements.

Temporal changes in elemental composition in decomposing filamentous algae (Cladophora glomerata and Pilayella littoralis) determined with PIXE and PIGE

Energy Technology Data Exchange (ETDEWEB)

Lill, J.-O., E-mail: jlill@abo.fi [Accelerator Laboratory, Turku PET Centre, Abo Akademi University, Porthansg. 3, FI-20500 Turku (Finland); Department of Natural Sciences, Abo Akademi University, Porthansg. 3, FI-20500 Turku (Finland); Salovius-Lauren, S. [Department of Biosciences, Abo Akademi University, Artillerig. 6, FI-20520 Turku (Finland); Harju, L. [Department of Chemical Engineering, Abo Akademi University, Biskopsg. 8, FI-20500 Turku (Finland); Rajander, J. [Accelerator Laboratory, Turku PET Centre, Abo Akademi University, Porthansg. 3, FI-20500 Turku (Finland); Department of Chemical Engineering, Abo Akademi University, Biskopsg. 8, FI-20500 Turku (Finland); Saarela, K.-E. [Department of Chemical Engineering, Abo Akademi University, Biskopsg. 8, FI-20500 Turku (Finland); Lindroos, A. [Department of Natural Sciences, Abo Akademi University, Porthansg. 3, FI-20500 Turku (Finland); Heselius, S.-J. [Accelerator Laboratory, Turku PET Centre, Abo Akademi University, Porthansg. 3, FI-20500 Turku (Finland)

2012-01-01

Particle-induced X-ray emission and particle-induced gamma-ray emission spectrometry were successfully applied in a study of the elemental composition of decomposing filamentous algae. Fresh brown (Pilayella littoralis) and green (Cladophora glomerata) algal materials were placed in cages at 4 m depth in a water column of 8 m in the Archipelago Sea, northern Baltic Sea. Every second week decaying algae were sampled from the cages to allow measurements of changes in the elemental compositions. In the study of the elemental losses the concentrations were compensated for the mass reduction. The results show that sulphur, chlorine and partly potassium were lost during decomposition of P. littoralis and C. glomerata. Most of the other elements studied were recovered in the remaining algal mass. Special attention was paid to sorption and desorption of elements, including metal binding capacity, in the decaying algal materials. The affinity order of different cations to the two algal species was established by calculation of conditional distribution coefficients, D Prime {sub M}. For instance for P. littoralis the following series of binding strength (affinity) of cations were obtained: Al > Ti > Fe Much-Greater-Than Mn > Ni, Cu > Ba, Cr, Zn Much-Greater-Than Rb > K, Sr > Pb Much-Greater-Than Ca Much-Greater-Than Na > Mg. Notably is that the binding strength of strontium was more than 10 times higher for P. littoralis than for C. glomerata. Due to their high binding capacity and good affinity and selectivity for heavy metal ions these algae have great potential as biological sorbents. Large variations in elemental content during decomposition complicate the use of algae for environmental monitoring. - Highlights: Black-Right-Pointing-Pointer Elemental concentrations in P. littoralis and C. glomerata from the Archipelago Sea in Finland were measured during decomposition. Black-Right-Pointing-Pointer PIXE and PIGE were successfully used for chemical analysis of 24 elements

Temporal changes in elemental composition in decomposing filamentous algae (Cladophora glomerata and Pilayella littoralis) determined with PIXE and PIGE

International Nuclear Information System (INIS)

Lill, J.-O.; Salovius-Laurén, S.; Harju, L.; Rajander, J.; Saarela, K.-E.; Lindroos, A.; Heselius, S.-J.

2012-01-01

Particle-induced X-ray emission and particle-induced gamma-ray emission spectrometry were successfully applied in a study of the elemental composition of decomposing filamentous algae. Fresh brown (Pilayella littoralis) and green (Cladophora glomerata) algal materials were placed in cages at 4 m depth in a water column of 8 m in the Archipelago Sea, northern Baltic Sea. Every second week decaying algae were sampled from the cages to allow measurements of changes in the elemental compositions. In the study of the elemental losses the concentrations were compensated for the mass reduction. The results show that sulphur, chlorine and partly potassium were lost during decomposition of P. littoralis and C. glomerata. Most of the other elements studied were recovered in the remaining algal mass. Special attention was paid to sorption and desorption of elements, including metal binding capacity, in the decaying algal materials. The affinity order of different cations to the two algal species was established by calculation of conditional distribution coefficients, D′ M . For instance for P. littoralis the following series of binding strength (affinity) of cations were obtained: Al > Ti > Fe ≫ Mn > Ni, Cu > Ba, Cr, Zn ≫ Rb > K, Sr > Pb ≫ Ca ≫ Na > Mg. Notably is that the binding strength of strontium was more than 10 times higher for P. littoralis than for C. glomerata. Due to their high binding capacity and good affinity and selectivity for heavy metal ions these algae have great potential as biological sorbents. Large variations in elemental content during decomposition complicate the use of algae for environmental monitoring. - Highlights: ► Elemental concentrations in P. littoralis and C. glomerata from the Archipelago Sea in Finland were measured during decomposition. ► PIXE and PIGE were successfully used for chemical analysis of 24 elements. ► The chemical affinity of different elements to the algae was established by calculation of conditional

Identification of Tyrosine Phosphorylated Proteins by SH2 Domain Affinity Purification and Mass Spectrometry.

Science.gov (United States)

Buhs, Sophia; Gerull, Helwe; Nollau, Peter

2017-01-01

Phosphotyrosine signaling plays a major role in the control of many important biological functions such as cell proliferation and apoptosis. Deciphering of phosphotyrosine-dependent signaling is therefore of great interest paving the way for the understanding of physiological and pathological processes of signal transduction. On the basis of the specific binding of SH2 domains to phosphotyrosine residues, we here present an experimental workflow for affinity purification and subsequent identification of tyrosine phosphorylated proteins by mass spectrometry. In combination with SH2 profiling, a broadly applicable platform for the characterization of phosphotyrosine profiles in cell extracts, our pull down strategy enables researchers by now to identify proteins in signaling cascades which are differentially phosphorylated and selectively recognized by distinct SH2 domains.

A dual origin of the Xist gene from a protein-coding gene and a set of transposable elements.

Directory of Open Access Journals (Sweden)

Eugeny A Elisaphenko

2008-06-01

Full Text Available X-chromosome inactivation, which occurs in female eutherian mammals is controlled by a complex X-linked locus termed the X-inactivation center (XIC. Previously it was proposed that genes of the XIC evolved, at least in part, as a result of pseudogenization of protein-coding genes. In this study we show that the key XIC gene Xist, which displays fragmentary homology to a protein-coding gene Lnx3, emerged de novo in early eutherians by integration of mobile elements which gave rise to simple tandem repeats. The Xist gene promoter region and four out of ten exons found in eutherians retain homology to exons of the Lnx3 gene. The remaining six Xist exons including those with simple tandem repeats detectable in their structure have similarity to different transposable elements. Integration of mobile elements into Xist accompanies the overall evolution of the gene and presumably continues in contemporary eutherian species. Additionally we showed that the combination of remnants of protein-coding sequences and mobile elements is not unique to the Xist gene and is found in other XIC genes producing non-coding nuclear RNA.

Uniform elemental analysis of materials by sputtering and photoionization mass spectrometry

International Nuclear Information System (INIS)

Chun, He; Basler, J.N.; Becker, C.H.

1997-01-01

Analysis of the elemental composition of surfaces commonly involves techniques in which atoms or ions are ablated from the material's surface and detected by mass spectrometry. Secondary-ion mass spectrometry is widely used for detection with high sensitivity (down to a few parts per billion) but technical problems prevent it from being truly quantitative. Some of these problems are circumvented by nonresonant laser post-ionization of sputtered atoms followed by time-of-flight mass spectrometry (surface analysis by laser ionization: SALI). But when there are large differences in ionization probabilities amongst different elements in the material, the detection sensitivity can be non-uniform and accurate quantification remains out of reach. Here we report that highly uniform, quantitative and sensitive analysis of materials can be achieved using a high-energy (5-keV) ion beam for sputtering coupled with a very-high-intensity laser to induce multiphoton ionization of the sputtered atoms. We show uniform elemental sensitivity for several samples containing elements with very different ionization potentials, suggesting that this approach can now be regarded as quantitative for essentially any material. (author)

FLAME: A finite element computer code for contaminant transport n variably-saturated media

International Nuclear Information System (INIS)

Baca, R.G.; Magnuson, S.O.

1992-06-01

A numerical model was developed for use in performance assessment studies at the INEL. The numerical model referred to as the FLAME computer code, is designed to simulate subsurface contaminant transport in a variably-saturated media. The code can be applied to model two-dimensional contaminant transport in an and site vadose zone or in an unconfined aquifer. In addition, the code has the capability to describe transport processes in a porous media with discrete fractures. This report presents the following: description of the conceptual framework and mathematical theory, derivations of the finite element techniques and algorithms, computational examples that illustrate the capability of the code, and input instructions for the general use of the code. The development of the FLAME computer code is aimed at providing environmental scientists at the INEL with a predictive tool for the subsurface water pathway. This numerical model is expected to be widely used in performance assessments for: (1) the Remedial Investigation/Feasibility Study process and (2) compliance studies required by the US Department of energy Order 5820.2A

FLAME: A finite element computer code for contaminant transport n variably-saturated media

Energy Technology Data Exchange (ETDEWEB)

Baca, R.G.; Magnuson, S.O.

1992-06-01

A numerical model was developed for use in performance assessment studies at the INEL. The numerical model referred to as the FLAME computer code, is designed to simulate subsurface contaminant transport in a variably-saturated media. The code can be applied to model two-dimensional contaminant transport in an and site vadose zone or in an unconfined aquifer. In addition, the code has the capability to describe transport processes in a porous media with discrete fractures. This report presents the following: description of the conceptual framework and mathematical theory, derivations of the finite element techniques and algorithms, computational examples that illustrate the capability of the code, and input instructions for the general use of the code. The development of the FLAME computer code is aimed at providing environmental scientists at the INEL with a predictive tool for the subsurface water pathway. This numerical model is expected to be widely used in performance assessments for: (1) the Remedial Investigation/Feasibility Study process and (2) compliance studies required by the US Department of energy Order 5820.2A.

Thermokinetic model of borosilicate glass dissolution: Contextual affinity

International Nuclear Information System (INIS)

Advocat, T.; Vernaz, E.; Crovisier, J.L.; Fritz, B.

1990-01-01

Short and long-term geochemical interactions of R7T7 nuclear glass with water at 100C were simulated with the DISSOL thermokinetic computer code. Both the dissolved glass quantity and the resulting water composition, saturation states and mineral quantities produced were calculated as a function of time. The rate equation used in the simulation was first proposed by Aagaard and Hegelson: v = k + · S · a( H + ) -n · (1 - e -(A/RT) ). It simulates a gradually diminishing dissolution rate as the reaction affinity diminishes. The best agreement with 1-year experimental data was obtained with a reaction affinity calculated from silica activity (Grambow's hypothesis) rather than taking into account the activity of all the glass components as proposed by Jantzen and Plodinec. The concept of residual affinity was introduced by Grambow to express the fact that the glass dissolution rate does not cease. The authors prefer to replace the term residual affinity by contextual affinity, which expresses the influence on the dissolution rate of three factors: the solution chemistry, the metastability of SiO 2 (m), and the possible precipitation of certain aluminosilicates such as zeolites

Development of chemical equilibrium analysis code 'CHEEQ'

International Nuclear Information System (INIS)

Nagai, Shuichiro

2006-08-01

'CHEEQ' code which calculates the partial pressure and the mass of the system consisting of ideal gas and pure condensed phase compounds, was developed. Characteristics of 'CHEEQ' code are as follows. All the chemical equilibrium equations were described by the formation reactions from the mono-atomic gases in order to simplify the code structure and input preparation. Chemical equilibrium conditions, Σν i μ i =0 for the gaseous compounds and precipitated condensed phase compounds and Σν i μ i > 0 for the non-precipitated condensed phase compounds, were applied. Where, ν i and μ i are stoichiometric coefficient and chemical potential of component i. Virtual solid model was introduced to perform the calculation of constant partial pressure condition. 'CHEEQ' was consisted of following 3 parts, (1) analysis code, zc132. f. (2) thermodynamic data base, zmdb01 and (3) input data file, zindb. 'CHEEQ' code can calculate the system which consisted of elements (max.20), condensed phase compounds (max.100) and gaseous compounds. (max.200). Thermodynamic data base, zmdb01 contains about 1000 elements and compounds, and 200 of them were Actinide elements and their compounds. This report describes the basic equations, the outline of the solution procedure and instructions to prepare the input data and to evaluate the calculation results. (author)

PRIAM: A self consistent finite element code for particle simulation in electromagnetic fields

International Nuclear Information System (INIS)

Le Meur, G.; Touze, F.

1990-06-01

A 2 1/2 dimensional, relativistic particle simulation code is described. A short review of the used mixed finite element method is given. The treatment of the driving terms (charge and current densities), initial, boundary conditions are exposed. Graphical results are shown

Proof of Concept Coded Aperture Miniature Mass Spectrometer Using a Cycloidal Sector Mass Analyzer, a Carbon Nanotube (CNT) Field Emission Electron Ionization Source, and an Array Detector

Science.gov (United States)

Amsden, Jason J.; Herr, Philip J.; Landry, David M. W.; Kim, William; Vyas, Raul; Parker, Charles B.; Kirley, Matthew P.; Keil, Adam D.; Gilchrist, Kristin H.; Radauscher, Erich J.; Hall, Stephen D.; Carlson, James B.; Baldasaro, Nicholas; Stokes, David; Di Dona, Shane T.; Russell, Zachary E.; Grego, Sonia; Edwards, Steven J.; Sperline, Roger P.; Denton, M. Bonner; Stoner, Brian R.; Gehm, Michael E.; Glass, Jeffrey T.

2018-02-01

Despite many potential applications, miniature mass spectrometers have had limited adoption in the field due to the tradeoff between throughput and resolution that limits their performance relative to laboratory instruments. Recently, a solution to this tradeoff has been demonstrated by using spatially coded apertures in magnetic sector mass spectrometers, enabling throughput and signal-to-background improvements of greater than an order of magnitude with no loss of resolution. This paper describes a proof of concept demonstration of a cycloidal coded aperture miniature mass spectrometer (C-CAMMS) demonstrating use of spatially coded apertures in a cycloidal sector mass analyzer for the first time. C-CAMMS also incorporates a miniature carbon nanotube (CNT) field emission electron ionization source and a capacitive transimpedance amplifier (CTIA) ion array detector. Results confirm the cycloidal mass analyzer's compatibility with aperture coding. A >10× increase in throughput was achieved without loss of resolution compared with a single slit instrument. Several areas where additional improvement can be realized are identified.

Weak affinity chromatography for evaluation of stereoisomers in early drug discovery.

Science.gov (United States)

Duong-Thi, Minh-Dao; Bergström, Maria; Fex, Tomas; Svensson, Susanne; Ohlson, Sten; Isaksson, Roland

2013-07-01

In early drug discovery (e.g., in fragment screening), recognition of stereoisomeric structures is valuable and guides medicinal chemists to focus only on useful configurations. In this work, we concurrently screened mixtures of stereoisomers and estimated their affinities to a protein target (thrombin) using weak affinity chromatography-mass spectrometry (WAC-MS). Affinity determinations by WAC showed that minor changes in stereoisomeric configuration could have a major impact on affinity. The ability of WAC-MS to provide instant information about stereoselectivity and binding affinities directly from analyte mixtures is a great advantage in fragment library screening and drug lead development.

Design and performance of coded aperture optical elements for the CESR-TA x-ray beam size monitor

Energy Technology Data Exchange (ETDEWEB)

Alexander, J.P.; Chatterjee, A.; Conolly, C.; Edwards, E.; Ehrlichman, M.P. [Cornell University, Ithaca, NY 14853 (United States); Flanagan, J.W. [High Energy Accelerator Research Organization (KEK), Tsukuba (Japan); Department of Accelerator Science, Graduate University for Advanced Studies (SOKENDAI), Tsukuba (Japan); Fontes, E. [Cornell University, Ithaca, NY 14853 (United States); Heltsley, B.K., E-mail: bkh2@cornell.edu [Cornell University, Ithaca, NY 14853 (United States); Lyndaker, A.; Peterson, D.P.; Rider, N.T.; Rubin, D.L.; Seeley, R.; Shanks, J. [Cornell University, Ithaca, NY 14853 (United States)

2014-12-11

We describe the design and performance of optical elements for an x-ray beam size monitor (xBSM), a device measuring e{sup +} and e{sup −} beam sizes in the CESR-TA storage ring. The device can measure vertical beam sizes of 10–100μm on a turn-by-turn, bunch-by-bunch basis at e{sup ±} beam energies of ∼2–5GeV. x-rays produced by a hard-bend magnet pass through a single- or multiple-slit (coded aperture) optical element onto a detector. The coded aperture slit pattern and thickness of masking material forming that pattern can both be tuned for optimal resolving power. We describe several such optical elements and show how well predictions of simple models track measured performances. - Highlights: • We characterize optical element performance of an e{sup ±} x-ray beam size monitor. • We standardize beam size resolving power measurements to reference conditions. • Standardized resolving power measurements compare favorably to model predictions. • Key model features include simulation of photon-counting statistics and image fitting. • Results validate a coded aperture design optimized for the x-ray spectrum encountered.

Extending Penning trap mass measurements with SHIPTRAP to the heaviest elements

International Nuclear Information System (INIS)

Block, M.; Ackermann, D.; Herfurth, F.; Hofmann, S.; Blaum, K.; Droese, C.; Marx, G.; Schweikhard, L.; Düllmann, Ch. E.; Eibach, M.; Eliseev, S.; Haettner, E.; Plaß, W. R.; Scheidenberger, C.; Heßberger, F. P.; Ramirez, E. Minaya; Nesterenko, D.

2013-01-01

Penning-trap mass spectrometry of radionuclides provides accurate mass values and absolute binding energies. Such mass measurements are sensitive indicators of the nuclear structure evolution far away from stability. Recently, direct mass measurements have been extended to the heavy elements nobelium (Z=102) and lawrencium (Z=103) with the Penning-trap mass spectrometer SHIPTRAP. The results probe nuclear shell effects at N=152. New developments will pave the way to access even heavier nuclides.

Evaluation of finite element codes for demonstrating the performance of radioactive material packages in hypothetical accident drop scenarios

International Nuclear Information System (INIS)

Tso, C.F.; Hueggenberg, R.

2004-01-01

Drop testing and analysis are the two methods for demonstrating the performance of packages in hypothetical drop accident scenarios. The exact purpose of the tests and the analyses, and the relative prominence of the two in the license application, may depend on the Competent Authority and will vary between countries. The Finite Element Method (FEM) is a powerful analysis tool. A reliable finite element (FE) code when used correctly and appropriately, will allow a package's behaviour to be simulated reliably. With improvements in computing power, and in sophistication and reliability of FE codes, it is likely that FEM calculations will increasingly be used as evidence of drop test performance when seeking Competent Authority approval. What is lacking at the moment, however, is a standardised method of assessing a FE code in order to determine whether it is sufficiently reliable or pessimistic. To this end, the project Evaluation of Codes for Analysing the Drop Test Performance of Radioactive Material Transport Containers, funded by the European Commission Directorate-General XVII (now Directorate-General for Energy and Transport) and jointly performed by Arup and Gesellschaft fuer Nuklear-Behaelter mbH, was carried out in 1998. The work consisted of three components: Survey of existing finite element software, with a view to finding codes that may be capable of analysing drop test performance of radioactive material packages, and to produce an inventory of them. Develop a set of benchmark problems to evaluate software used for analysing the drop test performance of packages. Evaluate the finite element codes by testing them against the benchmarks This paper presents a summary of this work

Evaluation of finite element codes for demonstrating the performance of radioactive material packages in hypothetical accident drop scenarios

Energy Technology Data Exchange (ETDEWEB)

Tso, C.F. [Arup (United Kingdom); Hueggenberg, R. [Gesellschaft fuer Nuklear-Behaelter mbH (Germany)

2004-07-01

Drop testing and analysis are the two methods for demonstrating the performance of packages in hypothetical drop accident scenarios. The exact purpose of the tests and the analyses, and the relative prominence of the two in the license application, may depend on the Competent Authority and will vary between countries. The Finite Element Method (FEM) is a powerful analysis tool. A reliable finite element (FE) code when used correctly and appropriately, will allow a package's behaviour to be simulated reliably. With improvements in computing power, and in sophistication and reliability of FE codes, it is likely that FEM calculations will increasingly be used as evidence of drop test performance when seeking Competent Authority approval. What is lacking at the moment, however, is a standardised method of assessing a FE code in order to determine whether it is sufficiently reliable or pessimistic. To this end, the project Evaluation of Codes for Analysing the Drop Test Performance of Radioactive Material Transport Containers, funded by the European Commission Directorate-General XVII (now Directorate-General for Energy and Transport) and jointly performed by Arup and Gesellschaft fuer Nuklear-Behaelter mbH, was carried out in 1998. The work consisted of three components: Survey of existing finite element software, with a view to finding codes that may be capable of analysing drop test performance of radioactive material packages, and to produce an inventory of them. Develop a set of benchmark problems to evaluate software used for analysing the drop test performance of packages. Evaluate the finite element codes by testing them against the benchmarks This paper presents a summary of this work.

Technique for mass-spectrometric determination of moisture content in fuel elements and fuel element claddings

International Nuclear Information System (INIS)

Kurillovich, A.N.; Pimonov, Yu.I.; Biryukov, A.S.

1988-01-01

A technique for mass-spectroimetric determination of moisture content in fuel elements and fuek claddings in the 2x10 -4 -1.5x10 -2 g range is developed. The relative standard deviation is 0.13. A character of moisture extraction from oxide uranium fuels in the 20-700 deg C temperature range is studied. Approximately 80% of moisture is extracted from the fuels at 300 deg C. The moisture content in fuel elements with granular uranium oxide fuels is measured. Dependence of fuel element moisture content on conditions of hot vacuum drying is shown. The technique permits to optimize the fuel element fabrication process to decrease the moisture content in them. 4 refs.; 3 figs.; 2 tabs

TWO EXTRASOLAR ASTEROIDS WITH LOW VOLATILE-ELEMENT MASS FRACTIONS

International Nuclear Information System (INIS)

Jura, M.; Xu, S.; Klein, B.; Zuckerman, B.; Koester, D.

2012-01-01

Using ultraviolet spectra obtained with the Cosmic Origins Spectrograph on the Hubble Space Telescope, we extend our previous ground-based optical determinations of the composition of the extrasolar asteroids accreted onto two white dwarfs, GD 40 and G241-6. Combining optical and ultraviolet spectra of these stars with He-dominated atmospheres, 13 and 12 polluting elements are confidently detected in GD 40 and G241-6, respectively. For the material accreted onto GD 40, the volatile elements C and S are deficient by more than a factor of 10 and N by at least a factor of 5 compared to their mass fractions in primitive CI chondrites and approach what is inferred for bulk Earth. A similar pattern is found for G241-6 except that S is undepleted. We have also newly detected or placed meaningful upper limits for the amount of Cl, Al, P, Ni, and Cu in the accreted matter. Extending results from optical studies, the mass fractions of refractory elements in the accreted parent bodies are similar to what is measured for bulk Earth and chondrites. Thermal processing, perhaps interior to a snow line, appears to be of central importance in determining the elemental compositions of these particular extrasolar asteroids.

Current status of the transient integral fuel element performance code URANUS

International Nuclear Information System (INIS)

Preusser, T.; Lassmann, K.

1983-01-01

To investigate the behavior of fuel pins during normal and off-normal operation, the integral fuel rod code URANUS has been extended to include a transient version. The paper describes the current status of the program system including a presentation of newly developed models for hypothetical accident investigation. The main objective of current development work is to improve the modelling of fuel and clad material behavior during fast transients. URANUS allows detailed analysis of experiments until the onset of strong material transport phenomena. Transient fission gas analysis is carried out due to the coupling with a special version of the LANGZEIT-KURZZEIT-code (KfK). Fuel restructuring and grain growth kinetics models have been improved recently to better characterize pre-experimental steady-state operation; transient models are under development. Extensive verification of the new version has been carried out by comparison with analytical solutions, experimental evidence, and code-to-code evaluation studies. URANUS, with all these improvements, has been successfully applied to difficult fast breeder fuel rod analysis including TOP, LOF, TUCOP, local coolant blockage and specific carbide fuel experiments. Objective of further studies is the description of transient PCMI. It is expected that the results of these developments will contribute significantly to the understanding of fuel element structural behavior during severe transients. (orig.)

Finite element model for heat conduction in jointed rock masses

International Nuclear Information System (INIS)

Gartling, D.K.; Thomas, R.K.

1981-01-01

A computatonal procedure for simulating heat conduction in a fractured rock mass is proposed and illustrated in the present paper. The method makes use of a simple local model for conduction in the vicinity of a single open fracture. The distributions of fractures and fracture properties within the finite element model are based on a statistical representation of geologic field data. Fracture behavior is included in the finite element computation by locating local, discrete fractures at the element integration points

Real and imaginary elements of fermion mass matrices

International Nuclear Information System (INIS)

Masina, I.; Savoy, C.A.

2006-01-01

Prompted by the recent better determination of the angles of the unitarity triangle, we re-appraise the problem of finding simple fermion mass textures, possibly linked to some symmetry principle and compatible with grand unification. In particular, the indication that the angle α is close to rectangle turns out to be the crucial ingredient leading us to single out fermion mass textures whose elements are either real or purely imaginary. In terms of the five parameters ascribed to the quark sector, these textures reproduce the eight experimental data on quark mass ratios and mixings within 1σ. When embedded in an SU(5) framework, these textures suggest a common origin for quark and lepton CP violations, also linked to the spontaneous breaking of the gauge group

Criticality analysis of the storage tubes for irradiated fuel elements from the IEA-R1 with the MCNP code

International Nuclear Information System (INIS)

Maragni, M.G.; Moreira, J.M.L.

1992-01-01

A criticality safety analysis has been carried out for the storage tubes for irradiated fuel elements from the IEA-R1 research reactor. The analysis utilized the MCNP computer code which allows exact simulations of complex geometries. Aiming reducing the amount of input data, the fuel element cross-sections have been spatially smeared out. The earth material interstice between fuel elements has been approximated conservatively as concrete because its composition was unknown. The storage tubes have been found subcritical for the most adverse conditions (water flooding and un-irradiated fuel elements). A similar analysis with the KENO-IV computer code overestimated the KEF result but still confirmed the criticality safety of the storage tubes. (author)

Haemoglobin Pierre-Benite--a high affinity variant associated with relative polycythaemia.

Science.gov (United States)

Beard, M E; Potter, H C; Spearing, R L; Brennan, S O

2001-12-01

This is the second reported example of Hb Pierre--Benite (beta90 Glu-->Asp). This mutation is associated with increased oxygen affinity and polycythaemia. No instability was found and there was no charge shift detected by cellulose acetate electrophoresis at pH 8.3. The mutation was however, clearly indicated by electrospray ionization mass spectrometry (ESI MS), which showed an abnormal beta chain with a 14 Da decrease in mass. Blood volume studies documented a relative rather than a true polycythaemia and this finding has been reported in at least two other high affinity haemoglobin variants--Hb Heathrow and Hb Rahere. This finding led to delay in diagnosis because high oxygen affinity variants are conventionally considered to cause a true polycythaemia.

Validation of the 3D finite element transport theory code EVENT for shielding applications

International Nuclear Information System (INIS)

Warner, Paul; Oliveira, R.E. de

2000-01-01

This paper is concerned with the validation of the 3D deterministic neutral-particle transport theory code EVENT for shielding applications. The code is based on the finite element-spherical harmonics (FE-P N ) method which has been extensively developed over the last decade. A general multi-group, anisotropic scattering formalism enables the code to address realistic steady state and time dependent, multi-dimensional coupled neutron/gamma radiation transport problems involving high scattering and deep penetration alike. The powerful geometrical flexibility and competitive computational effort makes the code an attractive tool for shielding applications. In recognition of this, EVENT is currently in the process of being adopted by the UK nuclear industry. The theory behind EVENT is described and its numerical implementation is outlined. Numerical results obtained by the code are compared with predictions of the Monte Carlo code MCBEND and also with the results from benchmark shielding experiments. In particular, results are presented for the ASPIS experimental configuration for both neutron and gamma ray calculations using the BUGLE 96 nuclear data library. (author)

Phosphopeptide enrichment by immobilized metal affinity chromatography

DEFF Research Database (Denmark)

Thingholm, Tine E.; Larsen, Martin R.

2016-01-01

Immobilized metal affinity chromatography (IMAC) has been the method of choice for phosphopeptide enrichment prior to mass spectrometric analysis for many years and it is still used extensively in many laboratories. Using the affinity of negatively charged phosphate groups towards positively...... charged metal ions such as Fe3+, Ga3+, Al3+, Zr4+, and Ti4+ has made it possible to enrich phosphorylated peptides from peptide samples. However, the selectivity of most of the metal ions is limited, when working with highly complex samples, e.g., whole-cell extracts, resulting in contamination from...

Initial verification and validation of RAZORBACK - A research reactor transient analysis code

Energy Technology Data Exchange (ETDEWEB)

Talley, Darren G. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

2015-09-01

This report describes the work and results of the initial verification and validation (V&V) of the beta release of the Razorback code. Razorback is a computer code designed to simulate the operation of a research reactor (such as the Annular Core Research Reactor (ACRR)) by a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This initial V&V effort was intended to confirm that the code work to-date shows good agreement between simulation and actual ACRR operations, indicating that the subsequent V&V effort for the official release of the code will be successful.

Numerical experiments in finite element analysis of thermoelastoplastic behaviour of materials. Further developments of the PLASTEF code

International Nuclear Information System (INIS)

Basombrio, F.G.; Sarmiento, G.S.

1980-01-01

In a previous paper the finite element code PLASTEF for the numerical simulation of thermoelastoplastic behaviour of materials was presented in its general outline. This code employs an initial stress incremental procedure for given histories of loads and temperature. It has been formulated for medium sized computers. The present work is an extension of the previous paper to consider additional aspects of the variable temperature case. Non-trivial tests of this type of situation are described. Finally, details are given of some concrete applications to the prediction of thermoelastoplastic collapse of nuclear fuel element cladding. (author)

Thermomechanical DART code improvements for LEU VHD dispersion and monolithic fuel element analysis

International Nuclear Information System (INIS)

Taboada, H.; Saliba, R.; Moscarda, M.V.; Rest, J.

2005-01-01

A collaboration agreement between ANL/US DOE and CNEA Argentina in the area of Low Enriched Uranium Advanced Fuels has been in place since October 16, 1997 under the Implementation Arrangement for Technical Exchange and Cooperation in the Area of Peaceful Uses of Nuclear Energy. An annex concerning DART code optimization has been operative since February 8, 1999. Previously, as a part of this annex a visual FASTDART version and also a DART THERMAL version were presented during RERTR 2000, 2002 and RERTR 2003 Meetings. During this past year the following activities were completed: Optimization of DART TM code Al diffusion parameters by testing predictions against reliable data from RERTR experiments. Improvements on the 3-D thermo-mechanical version of the code for modeling the irradiation behavior of LEU U-Mo monolithic fuel. Concerning the first point, by means of an optimization of parameters of the Al diffusion through the interaction product theoretical expression, a reasonable agreement between DART temperature calculations with reliable RERTR PIE data was reached. The 3-D thermomechanical code complex is based upon a finite element thermal-elastic code named TERMELAS, and irradiation behavior provided by the DART code. An adequate and progressive process of coupling calculations of both codes at each time step is currently developed. Compatible thermal calculation between both codes was reached. This is the first stage to benchmark and validate against RERTR PIE data the coupling process. (author)

Determination of trace elements by resonant ionization mass spectrometry (RIMS)

International Nuclear Information System (INIS)

Ruster, W.; Ames, F.; Rehklau, D.; Mang, M.; Muehleck, C.; Rimke, H.; Sattelberger, P.; Herrmann, G.; Trautmann, N.; Kluge, H.J.; Otten, E.W.

1988-01-01

A resonant ionization mass spectrometer has been developed as an analytical tool for the detection of trace elements, especially of plutonium and other radionuclides. The sample, deposited on a rhenium filament, is evaporated by electrical heating and the atoms of the element under investigation are selectively ionized by laser light delivered from three dye lasers pumped by a copper vapour laser. The resulting photoions are detected in a time-of-flight spectrometer with a channelplate detector. For plutonium a mass resolution of M/ΔM=1500 was obtained and an overall detection efficiency of 4x10 -6 was determined for stepwise excitation and ionization via autoionizing states. With a laser light bandwidth of 3-5 GHz neighbouring isotopes could be suppressed by a factor of 20 due to isotope shifts in the excitation transitions. The isotope composition of synthetic samples was measured and good agreement was found with mass spectroscopic results. The influence of the hyperfine structure on the isotope ratios is discussed. (orig.)

A non-linear, finite element, heat conduction code to calculate temperatures in solids of arbitrary geometry

International Nuclear Information System (INIS)

Tayal, M.

1987-01-01

Structures often operate at elevated temperatures. Temperature calculations are needed so that the design can accommodate thermally induced stresses and material changes. A finite element computer called FEAT has been developed to calculate temperatures in solids of arbitrary shapes. FEAT solves the classical equation for steady state conduction of heat. The solution is obtained for two-dimensional (plane or axisymmetric) or for three-dimensional problems. Gap elements are use to simulate interfaces between neighbouring surfaces. The code can model: conduction; internal generation of heat; prescribed convection to a heat sink; prescribed temperatures at boundaries; prescribed heat fluxes on some surfaces; and temperature-dependence of material properties like thermal conductivity. The user has a option of specifying the detailed variation of thermal conductivity with temperature. For convenience to the nuclear fuel industry, the user can also opt for pre-coded values of thermal conductivity, which are obtained from the MATPRO data base (sponsored by the U.S. Nuclear Regulatory Commission). The finite element method makes FEAT versatile, and enables it to accurately accommodate complex geometries. The optional link to MATPRO makes it convenient for the nuclear fuel industry to use FEAT, without loss of generality. Special numerical techniques make the code inexpensive to run, for the type of material non-linearities often encounter in the analysis of nuclear fuel. The code, however, is general, and can be used for other components of the reactor, or even for non-nuclear systems. The predictions of FEAT have been compared against several analytical solutions. The agreement is usually better than 5%. Thermocouple measurements show that the FEAT predictions are consistent with measured changes in temperatures in simulated pressure tubes. FEAT was also found to predict well, the axial variations in temperatures in the end-pellets(UO 2 ) of two fuel elements irradiated

Quantitative assay of element mass inventories in single cell biological systems with micro-PIXE

Energy Technology Data Exchange (ETDEWEB)

Ogrinc, Nina [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); LOTRIČ Metrology, Selca 163, SI-4227 Selca (Slovenia); Pelicon, Primož, E-mail: primoz.pelicon@ijs.si [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Vavpetič, Primož; Kelemen, Mitja; Grlj, Nataša; Jeromel, Luka [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Tomić, Sergej [Medical Faculty of the Military Medical Academy, University of Defense, Crnotravska 17, Belgrade (Serbia); Čolić, Miodrag [Medical Faculty of the Military Medical Academy, University of Defense, Crnotravska 17, Belgrade (Serbia); Medical Faculty, University of Niš, Boulevard of Dr. Zoran Djindjić 81, 18000 Niš (Serbia); Beran, Alfred [Dipartimento di Oceanografia Biologica, Istituto Nazionale di Oceanografia e Geofisica Sperimentale, Via Auguste Piccard 54, 34151 Trieste (Italy)

2013-07-01

Elemental concentrations in micro-PIXE (Particle Induced X-ray Emission) maps of elements in biological tissue slices have been determined using auxiliary information on the sample matrix composition from EBS (Elastic Backscattering Spectroscopy) and STIM (Scanning Transmission Ion Microscopy). The thin sample approximation may be used for evaluating micro-PIXE data in cases, where X-ray absorption in the sample can be neglected and the mass of elements in a selected area can be estimated. The resulting sensitivity amounts to an impressive 10{sup −12} g of the selected elements. Two cases are presented as examples. In the first, we determined the total mass of gold nanoparticles internalized by human monocyte-derived dendritic cells (MDDC). In the second, an inventory of the mass of elements in the micro-particulate material adsorbed at the wall of the lorica of the microzooplankton species Tintinnopsis radix has been created.

Quantitative assay of element mass inventories in single cell biological systems with micro-PIXE

International Nuclear Information System (INIS)

Ogrinc, Nina; Pelicon, Primož; Vavpetič, Primož; Kelemen, Mitja; Grlj, Nataša; Jeromel, Luka; Tomić, Sergej; Čolić, Miodrag; Beran, Alfred

2013-01-01

Elemental concentrations in micro-PIXE (Particle Induced X-ray Emission) maps of elements in biological tissue slices have been determined using auxiliary information on the sample matrix composition from EBS (Elastic Backscattering Spectroscopy) and STIM (Scanning Transmission Ion Microscopy). The thin sample approximation may be used for evaluating micro-PIXE data in cases, where X-ray absorption in the sample can be neglected and the mass of elements in a selected area can be estimated. The resulting sensitivity amounts to an impressive 10 −12 g of the selected elements. Two cases are presented as examples. In the first, we determined the total mass of gold nanoparticles internalized by human monocyte-derived dendritic cells (MDDC). In the second, an inventory of the mass of elements in the micro-particulate material adsorbed at the wall of the lorica of the microzooplankton species Tintinnopsis radix has been created

RAZORBACK - A Research Reactor Transient Analysis Code Version 1.0 - Volume 3: Verification and Validation Report.

Energy Technology Data Exchange (ETDEWEB)

Talley, Darren G.

2017-04-01

This report describes the work and results of the verification and validation (V&V) of the version 1.0 release of the Razorback code. Razorback is a computer code designed to simulate the operation of a research reactor (such as the Annular Core Research Reactor (ACRR)) by a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, the equation of motion for fuel element thermal expansion, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This V&V effort was intended to confirm that the code shows good agreement between simulation and actual ACRR operations.

Affine and quasi-affine frames for rational dilations

DEFF Research Database (Denmark)

Bownik, Marcin; Lemvig, Jakob

2011-01-01

In this paper we extend the investigation of quasi-affine systems, which were originally introduced by Ron and Shen [J. Funct. Anal. 148 (1997), 408-447] for integer, expansive dilations, to the class of rational, expansive dilations. We show that an affine system is a frame if, and only if......, the corresponding family of quasi-affine systems are frames with uniform frame bounds. We also prove a similar equivalence result between pairs of dual affine frames and dual quasi-affine frames. Finally, we uncover some fundamental differences between the integer and rational settings by exhibiting an example...

Comparison of Two Commercial FE-Codes for Sheet Metal Forming

International Nuclear Information System (INIS)

Revuelta, A.; Larkiola, J.; Kanervo, K.; Korhonen, A. S.; Myllykoski, P.

2007-01-01

There is urgent need to develop new advanced fast and cost-effective mass-production methods for small sheet metal components. Traditionally progressive dies have been designed by using various CAD techniques. Recent results in mass production of small sheet metal parts using progressive dies and a transfer press showed that the tool design time may be cut in up to a half by using 3D finite element simulation of forming. In numerical simulation of sheet metal forming better constitutive models are required to obtain more accurate results, reduce the time for tool design and cut the production costs further. Accurate models are needed to describe the initial yielding, subsequent work hardening and to predict the formability. In this work two commercially available finite element simulation codes, PAM-STAMP and LS-DYNA, were compared in forming of small austenitic stainless steel sheet part for electronic industry. Several constitutive models were used in both codes and the results were compared. Comparisons were made between the same models in each of the codes and also between different models in the same code. Material models ranged from very simple to advanced ones, which took into account anisotropy and both isotropic and kinematic hardening behavior. In order to make a valid comparison we employed similar finite element meshes. The effects of the material models parameters were studied and the results were compared with experiments. The effects of the computational time were also studied

SP_Ace: a new code to derive stellar parameters and elemental abundances

Science.gov (United States)

Boeche, C.; Grebel, E. K.

2016-03-01

Context. Ongoing and future massive spectroscopic surveys will collect large numbers (106-107) of stellar spectra that need to be analyzed. Highly automated software is needed to derive stellar parameters and chemical abundances from these spectra. Aims: We developed a new method of estimating the stellar parameters Teff, log g, [M/H], and elemental abundances. This method was implemented in a new code, SP_Ace (Stellar Parameters And Chemical abundances Estimator). This is a highly automated code suitable for analyzing the spectra of large spectroscopic surveys with low or medium spectral resolution (R = 2000-20 000). Methods: After the astrophysical calibration of the oscillator strengths of 4643 absorption lines covering the wavelength ranges 5212-6860 Å and 8400-8924 Å, we constructed a library that contains the equivalent widths (EW) of these lines for a grid of stellar parameters. The EWs of each line are fit by a polynomial function that describes the EW of the line as a function of the stellar parameters. The coefficients of these polynomial functions are stored in a library called the "GCOG library". SP_Ace, a code written in FORTRAN95, uses the GCOG library to compute the EWs of the lines, constructs models of spectra as a function of the stellar parameters and abundances, and searches for the model that minimizes the χ2 deviation when compared to the observed spectrum. The code has been tested on synthetic and real spectra for a wide range of signal-to-noise and spectral resolutions. Results: SP_Ace derives stellar parameters such as Teff, log g, [M/H], and chemical abundances of up to ten elements for low to medium resolution spectra of FGK-type stars with precision comparable to the one usually obtained with spectra of higher resolution. Systematic errors in stellar parameters and chemical abundances are presented and identified with tests on synthetic and real spectra. Stochastic errors are automatically estimated by the code for all the parameters

Optimization and Openmp Parallelization of a Discrete Element Code for Convex Polyhedra on Multi-Core Machines

Science.gov (United States)

Chen, Jian; Matuttis, Hans-Georg

2013-02-01

We report our experiences with the optimization and parallelization of a discrete element code for convex polyhedra on multi-core machines and introduce a novel variant of the sort-and-sweep neighborhood algorithm. While in theory the whole code in itself parallelizes ideally, in practice the results on different architectures with different compilers and performance measurement tools depend very much on the particle number and optimization of the code. After difficulties with the interpretation of the data for speedup and efficiency are overcome, respectable parallelization speedups could be obtained.

ABAQUS/EPGEN - a general purpose finite element code with emphasis on nonlinear applications

International Nuclear Information System (INIS)

Hibbitt, H.D.

1984-01-01

The article contains a summary description of ABAQUS, a finite element program designed for general use in nonlinear as well as linear structural problems, in the context of its application to nuclear structural integrity analysis. The article begins with a discussion of the design criteria and methods upon which the code development has been based. The engineering modelling capabilities, currently implemented in the program - elements, constitutive models and analysis procedures - are then described. Finally, a few demonstration examples are presented, to illustrate some of the program's features that are of interest in structural integrity analysis associated with nuclear power plants. (orig.)

Comparison of a Label-Free Quantitative Proteomic Method Based on Peptide Ion Current Area to the Isotope Coded Affinity Tag Method

Directory of Open Access Journals (Sweden)

Young Ah Goo

2008-01-01

Full Text Available Recently, several research groups have published methods for the determination of proteomic expression profiling by mass spectrometry without the use of exogenously added stable isotopes or stable isotope dilution theory. These so-called label-free, methods have the advantage of allowing data on each sample to be acquired independently from all other samples to which they can later be compared in silico for the purpose of measuring changes in protein expression between various biological states. We developed label free software based on direct measurement of peptide ion current area (PICA and compared it to two other methods, a simpler label free method known as spectral counting and the isotope coded affinity tag (ICAT method. Data analysis by these methods of a standard mixture containing proteins of known, but varying, concentrations showed that they performed similarly with a mean squared error of 0.09. Additionally, complex bacterial protein mixtures spiked with known concentrations of standard proteins were analyzed using the PICA label-free method. These results indicated that the PICA method detected all levels of standard spiked proteins at the 90% confidence level in this complex biological sample. This finding confirms that label-free methods, based on direct measurement of the area under a single ion current trace, performed as well as the standard ICAT method. Given the fact that the label-free methods provide ease in experimental design well beyond pair-wise comparison, label-free methods such as our PICA method are well suited for proteomic expression profiling of large numbers of samples as is needed in clinical analysis.

Affine group formulation of the Standard Model coupled to gravity

Energy Technology Data Exchange (ETDEWEB)

Chou, Ching-Yi, E-mail: l2897107@mail.ncku.edu.tw [Department of Physics, National Cheng Kung University, Taiwan (China); Ita, Eyo, E-mail: ita@usna.edu [Department of Physics, US Naval Academy, Annapolis, MD (United States); Soo, Chopin, E-mail: cpsoo@mail.ncku.edu.tw [Department of Physics, National Cheng Kung University, Taiwan (China)

2014-04-15

In this work we apply the affine group formalism for four dimensional gravity of Lorentzian signature, which is based on Klauder’s affine algebraic program, to the formulation of the Hamiltonian constraint of the interaction of matter and all forces, including gravity with non-vanishing cosmological constant Λ, as an affine Lie algebra. We use the hermitian action of fermions coupled to gravitation and Yang–Mills theory to find the density weight one fermionic super-Hamiltonian constraint. This term, combined with the Yang–Mills and Higgs energy densities, are composed with York’s integrated time functional. The result, when combined with the imaginary part of the Chern–Simons functional Q, forms the affine commutation relation with the volume element V(x). Affine algebraic quantization of gravitation and matter on equal footing implies a fundamental uncertainty relation which is predicated upon a non-vanishing cosmological constant. -- Highlights: •Wheeler–DeWitt equation (WDW) quantized as affine algebra, realizing Klauder’s program. •WDW formulated for interaction of matter and all forces, including gravity, as affine algebra. •WDW features Hermitian generators in spite of fermionic content: Standard Model addressed. •Constructed a family of physical states for the full, coupled theory via affine coherent states. •Fundamental uncertainty relation, predicated on non-vanishing cosmological constant.

Exploring Girls' Science Affinities Through an Informal Science Education Program

Science.gov (United States)

Todd, Brandy; Zvoch, Keith

2017-10-01

This study examines science interests, efficacy, attitudes, and identity—referred to as affinities, in the context of an informal science outreach program for girls. A mixed methods design was used to explore girls' science affinities before, during, and after participation in a cohort-based summer science camp. Multivariate analysis of survey data revealed that girls' science affinities varied as a function of the joint relationship between family background and number of years in the program, with girls from more affluent families predicted to increase affinities over time and girls from lower income families to experience initial gains in affinities that diminish over time. Qualitative examination of girls' perspectives on gender and science efficacy, attitudes toward science, and elements of science identities revealed a complex interplay of gendered stereotypes of science and girls' personal desires to prove themselves knowledgeable and competent scientists. Implications for the best practice in fostering science engagement and identities in middle school-aged girls are discussed.

Three loop massive operator matrix elements and asymptotic Wilson coefficients with two different masses

Directory of Open Access Journals (Sweden)

J. Ablinger

2017-08-01

Full Text Available Starting at 3-loop order, the massive Wilson coefficients for deep-inelastic scattering and the massive operator matrix elements describing the variable flavor number scheme receive contributions of Feynman diagrams carrying quark lines with two different masses. In the case of the charm and bottom quarks, the usual decoupling of one heavy mass at a time no longer holds, since the ratio of the respective masses, η=mc2/mb2∼1/10, is not small enough. Therefore, the usual variable flavor number scheme (VFNS has to be generalized. The renormalization procedure in the two-mass case is different from the single mass case derived in [1]. We present the moments N=2,4 and 6 for all contributing operator matrix elements, expanding in the ratio η. We calculate the analytic results for general values of the Mellin variable N in the flavor non-singlet case, as well as for transversity and the matrix element Agq(3. We also calculate the two-mass scalar integrals of all topologies contributing to the gluonic operator matrix element Agg. As it turns out, the expansion in η is usually inapplicable for general values of N. We therefore derive the result for general values of the mass ratio. From the single pole terms we derive, now in a two-mass calculation, the corresponding contributions to the 3-loop anomalous dimensions. We introduce a new general class of iterated integrals and study their relations and present special values. The corresponding functions are implemented in computer-algebraic form.

Free material stiffness design of laminated composite structures using commercial finite element analysis codes

DEFF Research Database (Denmark)

Henrichsen, Søren Randrup; Lindgaard, Esben; Lund, Erik

2015-01-01

In this work optimum stiffness design of laminated composite structures is performed using the commercially available programs ANSYS and MATLAB. Within these programs a Free Material Optimization algorithm is implemented based on an optimality condition and a heuristic update scheme. The heuristic...... update scheme is needed because commercially available finite element analysis software is used. When using a commercial finite element analysis code it is not straight forward to implement a computationally efficient gradient based optimization algorithm. Examples considered in this work are a clamped......, where full access to the finite element analysis core is granted. This comparison displays the possibility of using commercially available programs for stiffness design of laminated composite structures....

A simple modelling of mass diffusion effects on condensation with noncondensable gases for the CATHARE Code

Energy Technology Data Exchange (ETDEWEB)

Coste, P.; Bestion, D. [Commissariat a l Energie Atomique, Grenoble (France)

1995-09-01

This paper presents a simple modelling of mass diffusion effects on condensation. In presence of noncondensable gases, the mass diffusion near the interface is modelled using the heat and mass transfer analogy and requires normally an iterative procedure to calculate the interface temperature. Simplifications of the model and of the solution procedure are used without important degradation of the predictions. The model is assessed on experimental data for both film condensation in vertical tubes and direct contact condensation in horizontal tubes, including air-steam, Nitrogen-steam and Helium-steam data. It is implemented in the Cathare code, a french system code for nuclear reactor thermal hydraulics developed by CEA, EDF, and FRAMATOME.

Modeling turbine-missile impacts using the HONDO finite-element code

International Nuclear Information System (INIS)

Schuler, K.W.

1981-11-01

Calculations have been performed using the dynamic finite element code HONDO to simulate a full scale rocket sled test. In the test a rocket sled was used to launch at a velocity of 150 m/s (490 ft/s), a 1527 kg (3366 lb) fragment of a steam turbine rotor disk into a structure which was a simplified model of a steam turbine casing. In the calculations the material behavior of and boundary conditions on the target structure were varied to assess its energy absorbing characteristics. Comparisons are made between the calculations and observations of missile velocity and strain histories of various points of the target structure

Three loop massive operator matrix elements and asymptotic Wilson coefficients with two different masses

Energy Technology Data Exchange (ETDEWEB)

Ablinger, J.; Hasselhuhn, A.; Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); Bluemlein, J.; Freitas, A. de [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, F. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); IHES, Bures-sur-Yvette (France)

2017-05-15

Starting at 3-loop order, the massive Wilson coefficients for deep-inelastic scattering and the massive operator matrix elements describing the variable flavor number scheme receive contributions of Feynman diagrams carrying quark lines with two different masses. In the case of the charm and bottom quarks, the usual decoupling of one heavy mass at a time no longer holds, since the ratio of the respective masses, η=m{sup 2}{sub c}/m{sup 2}{sub b}∝1/10, is not small enough. Therefore, the usual variable flavor number scheme (VFNS) has to be generalized. The renormalization procedure in the two-mass case is different from the single mass case derived earlier (I. Bierenbaum, J: Bluemlein, S. Klein, 2009). We present the moments N=2,4 and 6 for all contributing operator matrix elements, expanding in the ratio η. We calculate the analytic results for general values of the Mellin variable N in the flavor non-singlet case, as well as for transversity and the matrix element A{sup (3)}{sub gq}. We also calculate the two-mass scalar integrals of all topologies contributing to the gluonic operator matrix element A{sub gg}. As it turns out, the expansion in η is usually inapplicable for general values of N. We therefore derive the result for general values of the mass ratio. From the single pole terms we derive, now in a two-mass calculation, the corresponding contributions to the 3-loop anomalous dimensions. We introduce a new general class of iterated integrals and study their relations and present special values. The corresponding functions are implemented in computer-algebraic form.

Specificity and affinity quantification of protein-protein interactions.

Science.gov (United States)

Yan, Zhiqiang; Guo, Liyong; Hu, Liang; Wang, Jin

2013-05-01

Most biological processes are mediated by the protein-protein interactions. Determination of the protein-protein structures and insight into their interactions are vital to understand the mechanisms of protein functions. Currently, compared with the isolated protein structures, only a small fraction of protein-protein structures are experimentally solved. Therefore, the computational docking methods play an increasing role in predicting the structures and interactions of protein-protein complexes. The scoring function of protein-protein interactions is the key responsible for the accuracy of the computational docking. Previous scoring functions were mostly developed by optimizing the binding affinity which determines the stability of the protein-protein complex, but they are often lack of the consideration of specificity which determines the discrimination of native protein-protein complex against competitive ones. We developed a scoring function (named as SPA-PP, specificity and affinity of the protein-protein interactions) by incorporating both the specificity and affinity into the optimization strategy. The testing results and comparisons with other scoring functions show that SPA-PP performs remarkably on both predictions of binding pose and binding affinity. Thus, SPA-PP is a promising quantification of protein-protein interactions, which can be implemented into the protein docking tools and applied for the predictions of protein-protein structure and affinity. The algorithm is implemented in C language, and the code can be downloaded from http://dl.dropbox.com/u/1865642/Optimization.cpp.

[Relations between location of elements in periodic table and affinity for the kidneys (author's transl)].

Science.gov (United States)

Ando, A; Hisada, K; Ando, I

1977-10-01

The distribution of many inorganic compounds in rats was investigated in order to evaluate kidney affinity of inorganic compounds. In these experiments, 30%, 10-20% and 4-10% of administered dose was localized in the kidneys in 203Hg-acetate and 203 Bi-acetate, in H198AuCl4, 103PdCl2, 201TlCl, 210Pd(NO3)2 and H2(127M)TeO3, and in Na2(51)CrO4, 54MnCl2, (114m)InCl3 and 7BeCl2, respectively. Some bipositive ions and anions was hardly taken up into the kidneys. And in many hard acids according to classification of Lewis acids, the uptake rate into the kidneys was usually small. On the other hand, Hg, Au and Bi, which have strong binding power to the protein, showed high uptake rate in the kidneys. As Hg++, Au+ and Bi+++ was soft acids according to classification of Lewis acids, it was thought that these elements would bind strongly to soft base (RSH, RS-) present in the kidney.

Problem-solving tools for analyzing system problems. The affinity map and the relationship diagram.

Science.gov (United States)

Lepley, C J

1998-12-01

The author describes how to use two management tools, an affinity map and a relationship diagram, to define and analyze aspects of a complex problem in a system. The affinity map identifies the key influencing elements of the problem, whereas the relationship diagram helps to identify the area that is the most important element of the issue. Managers can use the tools to draw a map of problem drivers, graphically display the drivers in a diagram, and use the diagram to develop a cause-and-effect relationship.

Tandem Affinity Purification Approach Coupled to Mass Spectrometry to Identify Post-translational Modifications of Histones Associated with Chromatin-Binding Proteins.

Science.gov (United States)

Beyer, Sophie; Robin, Philippe; Ait-Si-Ali, Slimane

2017-01-01

Protein purification by tandem affinity purification (TAP)-tag coupled to mass spectrometry analysis is usually used to reveal protein complex composition. Here we describe a TAP-tag purification of chromatin-bound proteins along with associated nucleosomes, which allow exhaustive identification of protein partners. Moreover, this method allows exhaustive identification of the post-translational modifications (PTMs) of the associated histones. Thus, in addition to partner characterization, this approach reveals the associated epigenetic landscape that can shed light on the function and properties of the studied chromatin-bound protein.

Fuel element thermo-mechanical analysis during transient events using the FMS and FETMA codes

International Nuclear Information System (INIS)

Hernandez Lopez Hector; Hernandez Martinez Jose Luis; Ortiz Villafuerte Javier

2005-01-01

In the Instituto Nacional de Investigaciones Nucleares of Mexico, the Fuel Management System (FMS) software package has been used for long time to simulate the operation of a BWR nuclear power plant in steady state, as well as in transient events. To evaluate the fuel element thermo-mechanical performance during transient events, an interface between the FMS codes and our own Fuel Element Thermo Mechanical Analysis (FETMA) code is currently being developed and implemented. In this work, the results of the thermo-mechanical behavior of fuel rods in the hot channel during the simulation of transient events of a BWR nuclear power plant are shown. The transient events considered for this work are a load rejection and a feedwater control failure, which among the most important events that can occur in a BWR. The results showed that conditions leading to fuel rod failure at no time appeared for both events. Also, it is shown that a transient due load rejection is more demanding on terms of safety that the failure of a controller of the feedwater. (authors)

Spectral-Element Seismic Wave Propagation Codes for both Forward Modeling in Complex Media and Adjoint Tomography

Science.gov (United States)

Smith, J. A.; Peter, D. B.; Tromp, J.; Komatitsch, D.; Lefebvre, M. P.

2015-12-01

We present both SPECFEM3D_Cartesian and SPECFEM3D_GLOBE open-source codes, representing high-performance numerical wave solvers simulating seismic wave propagation for local-, regional-, and global-scale application. These codes are suitable for both forward propagation in complex media and tomographic imaging. Both solvers compute highly accurate seismic wave fields using the continuous Galerkin spectral-element method on unstructured meshes. Lateral variations in compressional- and shear-wave speeds, density, as well as 3D attenuation Q models, topography and fluid-solid coupling are all readily included in both codes. For global simulations, effects due to rotation, ellipticity, the oceans, 3D crustal models, and self-gravitation are additionally included. Both packages provide forward and adjoint functionality suitable for adjoint tomography on high-performance computing architectures. We highlight the most recent release of the global version which includes improved performance, simultaneous MPI runs, OpenCL and CUDA support via an automatic source-to-source transformation library (BOAST), parallel I/O readers and writers for databases using ADIOS and seismograms using the recently developed Adaptable Seismic Data Format (ASDF) with built-in provenance. This makes our spectral-element solvers current state-of-the-art, open-source community codes for high-performance seismic wave propagation on arbitrarily complex 3D models. Together with these solvers, we provide full-waveform inversion tools to image the Earth's interior at unprecedented resolution.

Distribution Pattern of Fe, Sr, Zr and Ca Elements as Particle Size Function in the Code River Sediments from Upstream to Downstream

International Nuclear Information System (INIS)

Sri Murniasih; Muzakky

2007-01-01

The analysis of Fe, Sr, Zr and Ca elements concentration of granular sediment from upstream to downstream of Code river has been done. The aim of this research is to know the influence of particle size on the concentration of Fe, Sr, Zr and Ca elements in the Code river sediments from upstream to downstream and its distribution pattern. The instrument used was x-ray fluorescence with Si(Li) detector. Analysis results show that more Fe and Sr elements are very much found in 150 - 90 μm particle size, while Zr and Ca elements are very much found in < 90 μm particle size. Distribution pattern of Fe, Sr, Zr and Ca elements distribution in Code river sediments tends to increase relatively from upstream to downstream following its conductivity. The concentration of Fe, Sr, Zr and Ca elements are 1.49 ± 0.03 % - 5.93 ± 0.02 % ; 118.20 ± 10.73 ppm - 468.21 ± 20.36 ppm; 19.81 ppm ± 0.86 ppm - 76.36 ± 3.02 ppm and 3.22 ± 0.25 % - 11.40 ± 0.31 % successively. (author)

District element modelling of the rock mass response to glaciation at Finnsjoen, central Sweden

International Nuclear Information System (INIS)

Rosengren, L.; Stephansson, O.

1990-12-01

Six rock mechanics models of a cross section of the Finnsjoen test site have been simulated by means of distinct element analysis and the computer code UDEC. The rock mass response to glaciation, deglaciation, isostatic movements and water pressure from an ice lake have been simulated. Four of the models use a boundary condition with boundary elements at the bottom and sides of the model. This gives a state of stress inside the model which agrees well with the analytical solution where the horizontal and vertical stresses are almost similar. Roller boundaries were applied to two models. This boundary condition cause zero lateral displacement at the model boundaries and the horizontal stress are always less than the vertical stress. Isostatic movements were simulated in one model. Two different geometries of fracture Zone 2 were simulated. Results from modelling the two different geometries show minor changes in stresses, displacements and failure of fracture zones. Under normal pore pressure conditions in the rock mass the weight of the ice load increases the vertical stresses in the models differ depending on the boundary condition. An ice thickness of 3 km and 1 km and an ice wedge of 1 km thickness covering half the top surface of the model have been simulated. For each loading sequence of the six models a complete set of data about normal stress, stress profiles along selected sections, displacements and failure of fracture zones are presented. Based on the results of this study a protection zone of about 100 m width from the outer boundary of stress discontinuity to the repository location is suggested. This value is based on the result that the stress disturbance diminishes at this distance from the outer boundary of the discontinuity. (25 refs.) (authors)

Molecular electron affinities

International Nuclear Information System (INIS)

Fukuda, E.K.

1983-01-01

Molecular electron affinities have historically been difficult quantities to measure accurately. These difficulties arise from differences in structure between the ion and neutral as well as the existence of excited negative ion states. To circumvent these problems, relative electron affinities were determined in this dissertation by studying equilibrium electron transfer reactions using a pulsed ion cyclotron resonance (ICR) spectrometer. Direct measurement of ion and neutral concentrations for reactions of the general type, A - + B = B - + A, allow calculation of the equilibrium constant and, therefore, the free energy change. The free energy difference is related to the difference in electron affinities between A and B. A relative electron affinity scale covering a range of about 45 kcal/mol was constructed with various substituted p-benzoquinones, nitrobenzenes, anhydrides, and benzophenones. To assign absolute electron affinities, various species with accurately known electron affinities are tied to the scale via ion-cyclotron double resonance bracketing techniques. After the relative scale is anchored to these species with well-known electron affinities, the scale is then used as a check on other electron affinity values as well as generating new electron affinity values. Many discrepancies were found between the electron affinities measured using the ICR technique and previous literature determinations

Hydrogen-Deuterium Exchange Mass Spectrometry Reveals Calcium Binding Properties and Allosteric Regulation of Downstream Regulatory Element Antagonist Modulator (DREAM).

Science.gov (United States)

Zhang, Jun; Li, Jing; Craig, Theodore A; Kumar, Rajiv; Gross, Michael L

2017-07-18

Downstream regulatory element antagonist modulator (DREAM) is an EF-hand Ca 2+ -binding protein that also binds to a specific DNA sequence, downstream regulatory elements (DRE), and thereby regulates transcription in a calcium-dependent fashion. DREAM binds to DRE in the absence of Ca 2+ but detaches from DRE under Ca 2+ stimulation, allowing gene expression. The Ca 2+ binding properties of DREAM and the consequences of the binding on protein structure are key to understanding the function of DREAM. Here we describe the application of hydrogen-deuterium exchange mass spectrometry (HDX-MS) and site-directed mutagenesis to investigate the Ca 2+ binding properties and the subsequent conformational changes of full-length DREAM. We demonstrate that all EF-hands undergo large conformation changes upon calcium binding even though the EF-1 hand is not capable of binding to Ca 2+ . Moreover, EF-2 is a lower-affinity site compared to EF-3 and -4 hands. Comparison of HDX profiles between wild-type DREAM and two EF-1 mutated constructs illustrates that the conformational changes in the EF-1 hand are induced by long-range structural interactions. HDX analyses also reveal a conformational change in an N-terminal leucine-charged residue-rich domain (LCD) remote from Ca 2+ -binding EF-hands. This LCD domain is responsible for the direct interaction between DREAM and cAMP response element-binding protein (CREB) and regulates the recruitment of the co-activator, CREB-binding protein. These long-range interactions strongly suggest how conformational changes transmit the Ca 2+ signal to CREB-mediated gene transcription.

Heavy element affinities in Apollo 17 samples

International Nuclear Information System (INIS)

Allen, R.O. Jr.; Jovanovic, S.; Reed, G.W. Jr.

1975-01-01

204 Pb, Bi, Tl and Zn in samples from Apollo 17 exhibit relationships not found in samples from other sites. 204 Pb, Tl and Zn in residues remaining after dilute acid leaching are correlated with one another. Orange soil 74220, which is enriched in 204 Pb, Tl and Zn, is included in these relationships. In addition the submicron metallic phase generally associated with agglutinate formation is correlated with all three of these elements; this relationship has already been reported for 204 Pb in other samples. Thus, orange soil and agglutinates appear to be involved in concentrating heavy volatile metals. A process other than mixing is required to account for this. As a consequence of the isolation of the landing site by the surrounding massifs, local supply and recycling of volatile trace elements in soils may account for some of the interelement relations. (Auth.)

INAA application in the assessment of chemical element mass fractions in adult and geriatric prostate glands

International Nuclear Information System (INIS)

Zaichick, Vladimir; Zaichick, Sofia

2014-01-01

The variation with age of the mass fraction of 37 chemical elements in intact nonhyperplastic prostate of 65 healthy 21–87 year old males was investigated by instrumental neutron activation analysis with high resolution spectrometry of short- and long-lived radionuclides. Mean values (M±SΕΜ) for mass fractions (mg kg −1 , dry mass basis) of the chemical elements studied were: Ag—0.055±0.007, Br—33.2±3.3, Ca—2150±118, Cl—13014±703, Co—0.038±0.003, Cr—0.47±0.05, Fe—99.3±6.1, Hg—0.044±0.006, K—11896±356, Mg—1149±68, Mn—1.41±0.07, Na—10886±339, Rb—12.3±0.6, Sb—0.049±0.005, Sc—0.021±0.003, Se—0.65±0.03, and Zn—795±71. The mass fraction of other chemical elements measured in this study were lower than the corresponding detection limits (mg kg −1 , dry mass basis): As<0.1, Au<0.01, Ba<100, Cd<2, Ce<0.1, Cs<0.05, Eu<0.001, Gd<0.02, Hf<0.2, La<0.5, Lu<0.003, Nd<0.1, Sm<0.01, Sr<3, Ta<0.01, Tb<0.03, Th<0.05, U<0.07, Yb<0.03, and Zr<0.3. This work revealed that there is a significant trend for increase with age in mass fractions of Co (p<0.0085), Fe (p<0.037), Hg (p<0.035), Sc (p<0.015), and Zn (p<0.0014) and for a decrease in the mass fraction of Mn (p<0.018) in prostates, obtained from young adult up to about 60 years, with age. In the nonhyperplastic prostates of males in the sixth to ninth decades, the magnitude of mass fractions of all chemical element were maintained at near constant levels. Our finding of correlation between the prostatic chemical element mass fractions indicates that there is a great variation of chemical element relationships with age. - Highlights: • 37 trace elements were determined in prostate of 65 healthy 21–87 year old males by NAA. • Co, Fe, Hg, Sc, and Zn contents significantly increase with age. • Mn content significantly decreases with age. • All elemental contents in the sixth to ninth decades are near constant level. • There is a great disturbance of chemical element

Paradigms in isotope dilution mass spectrometry for elemental speciation analysis

International Nuclear Information System (INIS)

Meija, Juris; Mester, Zoltan

2008-01-01

Isotope dilution mass spectrometry currently stands out as the method providing results with unchallenged precision and accuracy in elemental speciation. However, recent history of isotope dilution mass spectrometry has shown that the extent to which this primary ratio measurement method can deliver accurate results is still subject of active research. In this review, we will summarize the fundamental prerequisites behind isotope dilution mass spectrometry and discuss their practical limits of validity and effects on the accuracy of the obtained results. This review is not to be viewed as a critique of isotope dilution; rather its purpose is to highlight the lesser studied aspects that will ensure and elevate current supremacy of the results obtained from this method

Multi-elemental analysis of aqueous geochemical samples by quadrupole inductively coupled plasma-mass spectrometry (ICP-MS)

Science.gov (United States)

Wolf, Ruth E.; Adams, Monique

2015-01-01

Typically, quadrupole inductively coupled plasma-mass spectrometry (ICP-MS) is used to determine as many as 57 major, minor, and trace elements in aqueous geochemical samples, including natural surface water and groundwater, acid mine drainage water, and extracts or leachates from geological samples. The sample solution is aspirated into the inductively coupled plasma (ICP) which is an electrodeless discharge of ionized argon gas at a temperature of approximately 6,000 degrees Celsius. The elements in the sample solution are subsequently volatilized, atomized, and ionized by the ICP. The ions generated are then focused and introduced into a quadrupole mass filter which only allows one mass to reach the detector at a given moment in time. As the settings of the mass analyzer change, subsequent masses are allowed to impact the detector. Although the typical quadrupole ICP-MS system is a sequential scanning instrument (determining each mass separately), the scan speed of modern instruments is on the order of several thousand masses per second. Consequently, typical total sample analysis times of 2–3 minutes are readily achievable for up to 57 elements.

Elemental mass size distribution of the Debrecen urban aerosol

International Nuclear Information System (INIS)

Kertesz, Zs.; Szoboszlai, Z.; Dobos, E.; Borbely-Kiss, I.

2007-01-01

Complete text of publication follows. Size distribution is one of the basic properties of atmospheric aerosol. It is closely related to the origin, chemical composition and age of the aerosol particles, and it influences the optical properties, environmental effects and health impact of aerosol. As part of the ongoing aerosol research in the Group of Ion Beam Applications of the Atomki, elemental mass size distribution of urban aerosol were determined using particle induced X-ray emission (PIXE) analytical technique. Aerosol sampling campaigns were carried out with 9-stage PIXE International cascade impactors, which separates the aerosol into 10 size fractions in the 0.05-30 ?m range. Five 48-hours long samplings were done in the garden of the Atomki, in April and in October, 2007. Both campaigns included weekend and working day samplings. Basically two different kinds of particles could be identified according to the size distribution. In the size distribution of Al, Si, Ca, Fe, Ba, Ti, Mn and Co one dominant peak can be found around the 3 m aerodynamic diameter size range, as it is shown on Figure 1. These are the elements of predominantly natural origin. Elements like S, Cl, K, Zn, Pb and Br appears with high frequency in the 0.25-0.5 mm size range as presented in Figure 2. These elements are originated mainly from anthropogenic sources. However sometimes in the size distribution of these elements a 2 nd , smaller peak appears at the 2-4 μm size ranges, indicating different sources. Differences were found between the size distribution of the spring and autumn samples. In the case of elements of soil origin the size distribution was shifted towards smaller diameters during October, and a 2 nd peak appeared around 0.5 μm. A possible explanation to this phenomenon can be the different meteorological conditions. No differences were found between the weekend and working days in the size distribution, however the concentration values were smaller during the weekend

The Aster code

International Nuclear Information System (INIS)

Delbecq, J.M.

1999-01-01

The Aster code is a 2D or 3D finite-element calculation code for structures developed by the R and D direction of Electricite de France (EdF). This dossier presents a complete overview of the characteristics and uses of the Aster code: introduction of version 4; the context of Aster (organisation of the code development, versions, systems and interfaces, development tools, quality assurance, independent validation); static mechanics (linear thermo-elasticity, Euler buckling, cables, Zarka-Casier method); non-linear mechanics (materials behaviour, big deformations, specific loads, unloading and loss of load proportionality indicators, global algorithm, contact and friction); rupture mechanics (G energy restitution level, restitution level in thermo-elasto-plasticity, 3D local energy restitution level, KI and KII stress intensity factors, calculation of limit loads for structures), specific treatments (fatigue, rupture, wear, error estimation); meshes and models (mesh generation, modeling, loads and boundary conditions, links between different modeling processes, resolution of linear systems, display of results etc..); vibration mechanics (modal and harmonic analysis, dynamics with shocks, direct transient dynamics, seismic analysis and aleatory dynamics, non-linear dynamics, dynamical sub-structuring); fluid-structure interactions (internal acoustics, mass, rigidity and damping); linear and non-linear thermal analysis; steels and metal industry (structure transformations); coupled problems (internal chaining, internal thermo-hydro-mechanical coupling, chaining with other codes); products and services. (J.S.)

The utility of affine variables and affine coherent states

International Nuclear Information System (INIS)

Klauder, John R

2012-01-01

Affine coherent states are generated by affine kinematical variables much like canonical coherent states are generated by canonical kinematical variables. Although all classical and quantum formalisms normally entail canonical variables, it is shown that affine variables can serve equally well for many classical and quantum studies. This general purpose analysis provides tools to discuss two major applications: (1) the completely successful quantization of a nonrenormalizable scalar quantum field theory by affine techniques, in complete contrast to canonical techniques which only offer triviality; and (2) a formulation of the kinematical portion of quantum gravity that favors affine kinematical variables over canonical kinematical variables, and which generates a framework in which a favorable analysis of the constrained dynamical issues can take place. All this is possible because of the close connection between the affine and the canonical stories, while the few distinctions can be used to advantage when appropriate. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to ‘Coherent states: mathematical and physical aspects’. (review)

Modelling 3-D mechanical phenomena in a 1-D industrial finite element code: results and perspectives

International Nuclear Information System (INIS)

Guicheret-Retel, V.; Trivaudey, F.; Boubakar, M.L.; Masson, R.; Thevenin, Ph.

2005-01-01

Assessing fuel rod integrity in PWR reactors must enjoin two opposite goals: a one-dimensional finite element code (axial revolution symmetry) is needed to provide industrial results at the scale of the reactor core, while the main risk of cladding failure [e.g. pellet-cladding interaction (PCI)] is based on fully three-dimensional phenomena. First, parametric three-dimensional elastic calculations were performed to identify the relevant parameters (fragment number, contact pellet-cladding conditions, etc.) as regards PCI. Axial fragment number as well as friction coefficient are shown to play a major role in PCI as opposed to other parameters. Next, the main limitations of the one-dimensional hypothesis of the finite element code CYRANO3 are identified. To overcome these limitations, both two- and three-dimensional emulations of CYRANO3 were developed. These developments are shown to significantly improve the results provided by CYRANO3. (authors)

Affine-projective field laws

International Nuclear Information System (INIS)

Murphy, G.L.

1975-01-01

The general topic of geometric unified field theories is discussed in the first section. Some reasons are given for pursuing such theories, and some criticisms are considered. The second section develops the fundamental equations of a purely affine theory which is invariant under projective transformations of the affine connection. This theory is a generalization of that of Schrodinger. Possible identifications for the space-time metric are considered in Sec. III. Sections IV and V deal with the limits of pure gravitation and electrodynamics. In the symmetric limit, Einstein's vacuum equations with cosmological term are recovered. The theory also contains a generalized electrodynamic set of equations which is very similar to the Born-Infeld set. In the weak-field approximation, a finite mass must be attributed to the photon. The problem of motion for charges is discussed here, and it is argued that criticisms of unified field theories because of a supposed inability to produce the Lorentz force law are probably not justified. Three more speculative sections deal with possible explanations of nuclear forces, the spin-torsion relation, and particle structure

Verification of Advective Bar Elements Implemented in the Aria Thermal Response Code.

Energy Technology Data Exchange (ETDEWEB)

Mills, Brantley [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2016-01-01

A verification effort was undertaken to evaluate the implementation of the new advective bar capability in the Aria thermal response code. Several approaches to the verification process were taken : a mesh refinement study to demonstrate solution convergence in the fluid and the solid, visually examining the mapping of the advective bar element nodes to the surrounding surfaces, and a comparison of solutions produced using the advective bars for simple geometries with solutions from commercial CFD software . The mesh refinement study has shown solution convergence for simple pipe flow in both temperature and velocity . Guidelines were provided to achieve appropriate meshes between the advective bar elements and the surrounding volume. Simulations of pipe flow using advective bars elements in Aria have been compared to simulations using the commercial CFD software ANSYS Fluent (r) and provided comparable solutions in temperature and velocity supporting proper implementation of the new capability. Verification of Advective Bar Elements iv Acknowledgements A special thanks goes to Dean Dobranich for his guidance and expertise through all stages of this effort . His advice and feedback was instrumental to its completion. Thanks also goes to Sam Subia and Tolu Okusanya for helping to plan many of the verification activities performed in this document. Thank you to Sam, Justin Lamb and Victor Brunini for their assistance in resolving issues encountered with running the advective bar element model. Finally, thanks goes to Dean, Sam, and Adam Hetzler for reviewing the document and providing very valuable comments.

Recent developments for high-precision mass measurements of the heaviest elements at SHIPTRAP

International Nuclear Information System (INIS)

Minaya Ramirez, E.; Ackermann, D.; Blaum, K.; Block, M.; Droese, C.; Düllmann, Ch. E.; Eibach, M.; Eliseev, S.; Haettner, E.; Herfurth, F.; Heßberger, F.P.

2013-01-01

Highlights: • Direct high-precision mass measurements of No and Lr isotopes performed. • High-precision mass measurements with a count rate of 1 ion/hour demonstrated. • The results provide anchor points for a large region connected by alpha-decay chains. • The binding energies determine the strength of the deformed shell closure N = 152. • Technical developments and new techniques will pave the way towards heavier elements. -- Abstract: Atomic nuclei far from stability continue to challenge our understanding. For example, theoretical models have predicted an “island of stability” in the region of the superheavy elements due to the closure of spherical proton and neutron shells. Depending on the model, these are expected at Z = 114, 120 or even 126 and N = 172 or 184. Valuable information on the road to the island of stability is derived from high-precision mass measurements, which give direct access to binding energies of short-lived trans-uranium nuclei. Recently, direct mass measurements at SHIPTRAP have been extended to nobelium and lawrencium isotopes around the deformed shell gap N = 152. In order to further extend mass measurements to the region of superheavy elements, new technical developments are required to increase the performance of our setup. The sensitivity will increase through the implementation of a new detection method, where observation of one single ion is sufficient. Together with the use of a more efficient gas stopping cell, this will us allow to significantly enhance the overall efficiency of SHIPTRAP

Solitons, τ-functions and hamiltonian reduction for non-Abelian conformal affine Toda theories

Science.gov (United States)

Ferreira, L. A.; Miramontes, J. Luis; Guillén, Joaquín Sánchez

1995-02-01

We consider the Hamiltonian reduction of the "two-loop" Wess-Zumino-Novikov-Witten model (WZNW) based on an untwisted affine Kac-Moody algebra G. The resulting reduced models, called Generalized Non-Abelian Conformal Affine Toda (G-CAT), are conformally invariant and a wide class of them possesses soliton solutions; these models constitute non-Abelian generalizations of the conformal affine Toda models. Their general solution is constructed by the Leznov-Saveliev method. Moreover, the dressing transformations leading to the solutions in the orbit of the vacuum are considered in detail, as well as the τ-functions, which are defined for any integrable highest weight representation of G, irrespectively of its particular realization. When the conformal symmetry is spontaneously broken, the G-CAT model becomes a generalized affine Toda model, whose soliton solutions are constructed. Their masses are obtained exploring the spontaneous breakdown of the conformal symmetry, and their relation to the fundamental particle masses is discussed. We also introduce what we call the two-loop Virasoro algebra, describing extended symmetries of the two-loop WZNW models.

ISMAS international discussion meet on elemental mass spectrometry in health and environmental sciences

International Nuclear Information System (INIS)

Aggarwal, S.K.; Jaison, P.G.; Telmore, V.M.

2011-04-01

Mass spectrometry is an indispensable analytical tool associated with almost all branches of science including biology, chemistry, earth sciences, nuclear science, physics, etc. The technique holds tremendous potential owing to its high sensitivity, selectivity and its ability to measure small changes in the isotopic abundances of different elements. Innovations in mass spectrometry instrumentation are further widening the scope by making it possible to handle very large bio-molecules and polymers. New techniques for mass analysis, novel designs for ionization and developments in electronic accessories have contributed to elevate mass spectrometry to a position of prime importance in research. Development in mass spectrometry has revolutionized the study of micro-nutrient metabolism, of biologically active compounds and for drug discovery in pharmaceutical research. Elemental mass spectrometry is making major contributions to food toxicology, food forensics, and study of metabolism of nutrient minerals including Fe, Zn, Ca, Cu and Se. The area of speciation analysis using hyphenated techniques as well as electro-spray ionization have undergone a phenomenal evolution and development in the recent past. Impressive progress in mass spectrometry towards lower detection limits, higher resolution and molecule-specific detection at trace levels in complex matrices allows new frontiers to be crossed. Papers relevant to INIS are indexed separately

Mechanical modelization of PCI with Fragema and CEA finite element codes

International Nuclear Information System (INIS)

Bernard, P.; Joseph, J.; Atabek, R.; Chantant, M.

1982-03-01

In order to modelize the PCI phenomenon during a power ramp test two finite element codes have been used by FRAGEMA and CEA, TITUS and VERDON. The results given, by the 3D equivalent method developed with TITUS, and VERDON are equivalent, in particular the strains and the equivalent Von Mises stresses at the pellet to pellet interface are quite similar. An evaluation was made to explain experimental ramp tests results. These results come from FRISCA 04bis and FRISCA 104 rods which were ramp tested in SILOE. The choice of the equivalent Von Mises stress seems to be quite a good criterion to explain the failure threshold

Development of a finite element code to solve thermo-hydro-mechanical coupling and simulate induced seismicity.

Science.gov (United States)

María Gómez Castro, Berta; De Simone, Silvia; Rossi, Riccardo; Larese De Tetto, Antonia; Carrera Ramírez, Jesús

2015-04-01

Coupled thermo-hydro-mechanical modeling is essential for CO2 storage because of (1) large amounts of CO2 will be injected, which will cause large pressure buildups and might compromise the mechanical stability of the caprock seal, (2) the most efficient technique to inject CO2 is the cold injection, which induces thermal stress changes in the reservoir and seal. These stress variations can cause mechanical failure in the caprock and can also trigger induced earthquakes. To properly assess these effects, numerical models that take into account the short and long-term thermo-hydro-mechanical coupling are an important tool. For this purpose, there is a growing need of codes that couple these processes efficiently and accurately. This work involves the development of an open-source, finite element code written in C ++ for correctly modeling the effects of thermo-hydro-mechanical coupling in the field of CO2 storage and in others fields related to these processes (geothermal energy systems, fracking, nuclear waste disposal, etc.), and capable to simulate induced seismicity. In order to be able to simulate earthquakes, a new lower dimensional interface element will be implemented in the code to represent preexisting fractures, where pressure continuity will be imposed across the fractures.

Full scale seismic simulation of a nuclear reactor with parallel finite element analysis code for assembled structure

International Nuclear Information System (INIS)

Yamada, Tomonori

2010-01-01

The safety requirement of nuclear power plant attracts much attention nowadays. With the growing computing power, numerical simulation is one of key technologies to meet this safety requirement. Center for Computational Science and e-Systems of Japan Atomic Energy Agency has been developing a finite element analysis code for assembled structure to accurately evaluate the structural integrity of nuclear power plant in its entirety under seismic events. Because nuclear power plant is very huge assembled structure with tens of millions of mechanical components, the finite element model of each component is assembled into one structure and non-conforming meshes of mechanical components are bonded together inside the code. The main technique to bond these mechanical components is triple sparse matrix multiplication with multiple point constrains and global stiffness matrix. In our code, this procedure is conducted in a component by component manner, so that the working memory size and computing time for this multiplication are available on the current computing environment. As an illustrative example, seismic simulation of a real nuclear reactor of High Temperature engineering Test Reactor, which is located at the O-arai research and development center of JAEA, with 80 major mechanical components was conducted. Consequently, our code successfully simulated detailed elasto-plastic deformation of nuclear reactor and its computational performance was investigated. (author)

Report: Affinity Chromatography.

Science.gov (United States)

Walters, Rodney R.

1985-01-01

Supports, affinity ligands, immobilization, elution methods, and a number of applications are among the topics considered in this discussion of affinity chromatography. An outline of the basic principles of affinity chromatography is included. (JN)

Screening for Natural Inhibitors of Topoisomerases I from Rhamnus davurica by Affinity Ultrafiltration and High-Performance Liquid Chromatography–Mass Spectrometry

Science.gov (United States)

Chen, Guilin; Guo, Mingquan

2017-01-01

Topoisomerase I (Topo I) catalyzes topological interconversion of duplex DNA during DNA replication and transcription, and has been deemed as important antineoplastic targets. In this study, the fraction R.d-60 from ethyl acetate extracts of Rhamnus davurica showed higher inhibitory rates against SGC-7901 and HT-29 compared with the R.d-30 fraction in vitro. However, the specific active components of R.d-60 fraction remain elusive. To this end, a method based on bio-affinity ultrafiltration and high performance liquid chromatography/electrospray mass spectrometry (HPLC- ESI-MS/MS) was developed to rapidly screen and identify the Topo I inhibitors in this fraction. The enrichment factors (EFs) were calculated to evaluate the binding affinities between the bioactive constituents and Topo I. As a result, eight ligands were identified and six of which with higher EFs showed more potential antitumor activity. Furthermore, antiproliferative assays in vitro (IC50 values) with two representative candidates (apigenin, quercetin) against SGC-7901, HT-29 and Hep G2 cells were conducted and further validated. Finally, the structure-activity relationships revealed that flavones contain a C2-C3 double bond of C ring exhibited higher bio-affinities to Topo I than those without it. This integrated method combining Topo I ultrafiltration with HPLC-MS/MS proved to be very efficient in rapid screening and identification of potential Topo I inhibitors from the complex extracts of medicinal plants, and could be further explored as a valuable high-throughput screening platform in the early drug discovery stage. PMID:28919906

Method for calculating internal radiation and ventilation with the ADINAT heat-flow code

International Nuclear Information System (INIS)

Butkovich, T.R.; Montan, D.N.

1980-01-01

One objective of the spent fuel test in Climax Stock granite (SFTC) is to correctly model the thermal transport, and the changes in the stress field and accompanying displacements from the application of the thermal loads. We have chosen the ADINA and ADINAT finite element codes to do these calculations. ADINAT is a heat transfer code compatible to the ADINA displacement and stress analysis code. The heat flow problem encountered at SFTC requires a code with conduction, radiation, and ventilation capabilities, which the present version of ADINAT does not have. We have devised a method for calculating internal radiation and ventilation with the ADINAT code. This method effectively reproduces the results from the TRUMP multi-dimensional finite difference code, which correctly models radiative heat transport between drift surfaces, conductive and convective thermal transport to and through air in the drifts, and mass flow of air in the drifts. The temperature histories for each node in the finite element mesh calculated with ADINAT using this method can be used directly in the ADINA thermal-mechanical calculation

Determination of elemental composition of metals using ambient organic mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Shiea, Christopher [Department of Medical Laboratory Science and Biotechnology, Kaohsiung Medical University, 100 Shih-Chuan 1st Rd, Kaohsiung 807, Taiwan (China); Huang, Yeou-Lih [Department of Medical Laboratory Science and Biotechnology, Kaohsiung Medical University, 100 Shih-Chuan 1st Rd, Kaohsiung 807, Taiwan (China); Department of Chemistry, National Sun Yat-Sen University, 70 Lien-Hai Rd, Kaohsiung 804, Taiwan (China); Cheng, Sy-Chyi; Chen, Yi-Lun [Department of Chemistry, National Sun Yat-Sen University, 70 Lien-Hai Rd, Kaohsiung 804, Taiwan (China); Shiea, Jentaie, E-mail: jetea@mail.nsysu.edu.tw [Department of Chemistry, National Sun Yat-Sen University, 70 Lien-Hai Rd, Kaohsiung 804, Taiwan (China); Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, 100 Shih-Chuan 1st Rd, Kaohsiung 807, Taiwan (China)

2017-05-22

Conventional inorganic mass spectrometric (MS) analysis of metals can require time-consuming and tedious sample preparation. We thus report the novel and direct characterization of metals in solid samples using an organic MS technique known as electrospray laser desorption ionization mass spectrometry (ELDI/MS). No sample pretreatment was needed, and results were rapidly obtained due to the ambient and laser-based nature of ELDI/MS. Metals from samples were desorbed and ionized by laser irradiation, after which they reacted with EDTA and then post-ionized and detected as metal-EDTA complexes. Aluminum, copper, iron, lead, nickel, and zinc from plates, foils, and coins were characterized in seconds. This study demonstrates that an ESI/MS system can be easily modified to analyze metal elements in solids by involving a chelating agent, indicating a potentially promising development in MS towards the analysis of metals using organic MS. - Highlights: • “Organic MS” was utilized as “inorganic MS” to detect metal ions in solid samples. • Element ions desorbed by laser irradiation rapidly reacted with a chelating reagent before they were detected by MS. • Elemental composition of metals was determined by this “Organic MS” method.

Determination of elemental composition of metals using ambient organic mass spectrometry

International Nuclear Information System (INIS)

Shiea, Christopher; Huang, Yeou-Lih; Cheng, Sy-Chyi; Chen, Yi-Lun; Shiea, Jentaie

2017-01-01

Conventional inorganic mass spectrometric (MS) analysis of metals can require time-consuming and tedious sample preparation. We thus report the novel and direct characterization of metals in solid samples using an organic MS technique known as electrospray laser desorption ionization mass spectrometry (ELDI/MS). No sample pretreatment was needed, and results were rapidly obtained due to the ambient and laser-based nature of ELDI/MS. Metals from samples were desorbed and ionized by laser irradiation, after which they reacted with EDTA and then post-ionized and detected as metal-EDTA complexes. Aluminum, copper, iron, lead, nickel, and zinc from plates, foils, and coins were characterized in seconds. This study demonstrates that an ESI/MS system can be easily modified to analyze metal elements in solids by involving a chelating agent, indicating a potentially promising development in MS towards the analysis of metals using organic MS. - Highlights: • “Organic MS” was utilized as “inorganic MS” to detect metal ions in solid samples. • Element ions desorbed by laser irradiation rapidly reacted with a chelating reagent before they were detected by MS. • Elemental composition of metals was determined by this “Organic MS” method.

SQA of finite element method (FEM) codes used for analyses of pit storage/transport packages

Energy Technology Data Exchange (ETDEWEB)

Russel, E. [Lawrence Livermore National Lab., CA (United States)

1997-11-01

This report contains viewgraphs on the software quality assurance of finite element method codes used for analyses of pit storage and transport projects. This methodology utilizes the ISO 9000-3: Guideline for application of 9001 to the development, supply, and maintenance of software, for establishing well-defined software engineering processes to consistently maintain high quality management approaches.

Constitutive expression of a putative high-affinity nitrate transporter in Nicotiana plumbaginifolia: evidence for post-transcriptional regulation by a reduced nitrogen source.

Science.gov (United States)

Fraisier, V; Gojon, A; Tillard, P; Daniel-Vedele, F

2000-08-01

The NpNRT2.1 gene encodes a putative inducible component of the high-affinity nitrate (NO3-) uptake system in Nicotiana plumbaginifolia. Here we report functional and physiological analyses of transgenic plants expressing the NpNRT2.1 coding sequence fused to the CaMV 35S or rolD promoters. Irrespective of the level of NO3- supplied, NO3- contents were found to be remarkably similar in wild-type and transgenic plants. Under specific conditions (growth on 10 mM NO3-), the steady-state NpNRT2. 1 mRNA level resulting from the deregulated transgene expression was accompanied by an increase in 15NO3- influx measured in the low concentration range. This demonstrates for the first time that the NRT2.1 sequence codes a limiting element of the inducible high-affinity transport system. Both 15NO3- influx and mRNA levels decreased in the wild type after exposure to ammonium, in agreement with previous results from many species. Surprisingly, however, influx was also markedly decreased in transgenic plants, despite stable levels of transgene expression in independent transformants after ammonium addition. We conclude that the conditions associated with the supply of a reduced nitrogen source such as ammonium, or with the generation of a further downstream metabolite, probably exert a repressive effect on NO3- influx at both transcriptional and post-transcriptional levels.

Probabilistic evaluation of fuel element performance by the combined use of a fast running simplistic and a detailed deterministic fuel performance code

International Nuclear Information System (INIS)

Misfeldt, I.

1980-01-01

A comprehensive evaluation of fuel element performance requires a probabilistic fuel code supported by a well bench-marked deterministic code. This paper presents an analysis of a SGHWR ramp experiment, where the probabilistic fuel code FRP is utilized in combination with the deterministic fuel models FFRS and SLEUTH/SEER. The statistical methods employed in FRP are Monte Carlo simulation or a low-order Taylor approximation. The fast-running simplistic fuel code FFRS is used for the deterministic simulations, whereas simulations with SLEUTH/SEER are used to verify the predictions of FFRS. The ramp test was performed with a SGHWR fuel element, where 9 of the 36 fuel pins failed. There seemed to be good agreement between the deterministic simulations and the experiment, but the statistical evaluation shows that the uncertainty on the important performance parameters is too large for this ''nice'' result. The analysis does therefore indicate a discrepancy between the experiment and the deterministic code predictions. Possible explanations for this disagreement are discussed. (author)

Validation of finite element code DELFIN by means of the zero power experiences at the nuclear power plant of Atucha I

International Nuclear Information System (INIS)

Grant, C.R.

1996-01-01

Code DELFIN, developed in CNEA, treats the spatial discretization using heterogeneous finite elements, allowing a correct treatment of the continuity of fluxes and currents among elements and a more realistic representation of the hexagonal lattice of the reactor. It can be used for fuel management calculation, Xenon oscillation and spatial kinetics. Using the HUEMUL code for cell calculation (which uses a generalized two dimensional collision probability theory and has the WIMS library incorporated in a data base), the zero power experiences performed in 1974 were calculated. (author). 8 refs., 9 figs., 3 tabs

Size resolved mass concentration and elemental composition of atmospheric aerosols over the Eastern Mediterranean area

Directory of Open Access Journals (Sweden)

J. Smolík

2003-01-01

Full Text Available A Berner low pressure impactor was used to collect size-segregated aerosol samples at Finokalia, located on the north-eastern coast of Crete, Greece during July 2000 and January 2001. Several samples were also collected during the summer campaign aboard the research vessel "AEGAIEO" in the Aegean Sea. Gravimetric analysis and inversion techniques yielded daily PM1 and PM10 mass concentrations. The samples were also analysed by PIXE giving the elemental size distributions of Al, Si, K, Ca, Ti, Mn, Fe, Sr, S, Cl, Ni, V, Cu, Cr, Zn, and Pb. The crustal elements and sea-salt had a unimodal supermicron size distribution. Sulphur was found predominantly in submicron fractions. K, V, and Ni exhibited a bimodal distribution with a submicron mode produced by forest fires and oil combustion. The anthropogenic elements had broad and not well-defined distributions. The time series for PM1 and PM10 mass and elemental concentrations showed both daily and seasonal variation. Higher mass concentrations were observed during two incursions of Saharan dust, whilst higher concentrations of S, Cu, Zn, and Pb were encountered in samples collected in air masses arriving from northern Greece or the western coast of Turkey. Elevated concentrations of chlorine were found in samples with air masses either originating above the Atlantic Ocean and arriving at Finokalia via western Europe or recirculating over the western coast of the Black Sea.

Transduplication resulted in the incorporation of two protein-coding sequences into the Turmoil-1 transposable element of C. elegans

Directory of Open Access Journals (Sweden)

Pupko Tal

2008-10-01

Full Text Available Abstract Transposable elements may acquire unrelated gene fragments into their sequences in a process called transduplication. Transduplication of protein-coding genes is common in plants, but is unknown of in animals. Here, we report that the Turmoil-1 transposable element in C. elegans has incorporated two protein-coding sequences into its inverted terminal repeat (ITR sequences. The ITRs of Turmoil-1 contain a conserved RNA recognition motif (RRM that originated from the rsp-2 gene and a fragment from the protein-coding region of the cpg-3 gene. We further report that an open reading frame specific to C. elegans may have been created as a result of a Turmoil-1 insertion. Mutations at the 5' splice site of this open reading frame may have reactivated the transduplicated RRM motif. Reviewers This article was reviewed by Dan Graur and William Martin. For the full reviews, please go to the Reviewers' Reports section.

The two-mass contribution to the three-loop pure singlet operator matrix element

Energy Technology Data Exchange (ETDEWEB)

Ablinger, J.; Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); Bluemlein, J.; Freitas, A. de; Schoenwald, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

2017-11-15

We present the two-mass QCD contributions to the pure singlet operator matrix element at three loop order in x-space. These terms are relevant for calculating the structure function F{sub 2}(x,Q{sup 2}) at O(α{sup 3}{sub s}) as well as for the matching relations in the variable flavor number scheme and the heavy quark distribution functions at the same order. The result for the operator matrix element is given in terms of generalized iterated integrals that include square root letters in the alphabet, depending also on the mass ratio through the main argument. Numerical results are presented.

Neural Elements for Predictive Coding

Directory of Open Access Journals (Sweden)

Stewart SHIPP

2016-11-01

Full Text Available Predictive coding theories of sensory brain function interpret the hierarchical construction of the cerebral cortex as a Bayesian, generative model capable of predicting the sensory data consistent with any given percept. Predictions are fed backwards in the hierarchy and reciprocated by prediction error in the forward direction, acting to modify the representation of the outside world at increasing levels of abstraction, and so to optimize the nature of perception over a series of iterations. This accounts for many ‘illusory’ instances of perception where what is seen (heard, etc is unduly influenced by what is expected, based on past experience. This simple conception, the hierarchical exchange of prediction and prediction error, confronts a rich cortical microcircuitry that is yet to be fully documented. This article presents the view that, in the current state of theory and practice, it is profitable to begin a two-way exchange: that predictive coding theory can support an understanding of cortical microcircuit function, and prompt particular aspects of future investigation, whilst existing knowledge of microcircuitry can, in return, influence theoretical development. As an example, a neural inference arising from the earliest formulations of predictive coding is that the source populations of forwards and backwards pathways should be completely separate, given their functional distinction; this aspect of circuitry – that neurons with extrinsically bifurcating axons do not project in both directions – has only recently been confirmed. Here, the computational architecture prescribed by a generalized (free-energy formulation of predictive coding is combined with the classic ‘canonical microcircuit’ and the laminar architecture of hierarchical extrinsic connectivity to produce a template schematic, that is further examined in the light of (a updates in the microcircuitry of primate visual cortex, and (b rapid technical advances made

Neural Elements for Predictive Coding.

Science.gov (United States)

Shipp, Stewart

2016-01-01

Predictive coding theories of sensory brain function interpret the hierarchical construction of the cerebral cortex as a Bayesian, generative model capable of predicting the sensory data consistent with any given percept. Predictions are fed backward in the hierarchy and reciprocated by prediction error in the forward direction, acting to modify the representation of the outside world at increasing levels of abstraction, and so to optimize the nature of perception over a series of iterations. This accounts for many 'illusory' instances of perception where what is seen (heard, etc.) is unduly influenced by what is expected, based on past experience. This simple conception, the hierarchical exchange of prediction and prediction error, confronts a rich cortical microcircuitry that is yet to be fully documented. This article presents the view that, in the current state of theory and practice, it is profitable to begin a two-way exchange: that predictive coding theory can support an understanding of cortical microcircuit function, and prompt particular aspects of future investigation, whilst existing knowledge of microcircuitry can, in return, influence theoretical development. As an example, a neural inference arising from the earliest formulations of predictive coding is that the source populations of forward and backward pathways should be completely separate, given their functional distinction; this aspect of circuitry - that neurons with extrinsically bifurcating axons do not project in both directions - has only recently been confirmed. Here, the computational architecture prescribed by a generalized (free-energy) formulation of predictive coding is combined with the classic 'canonical microcircuit' and the laminar architecture of hierarchical extrinsic connectivity to produce a template schematic, that is further examined in the light of (a) updates in the microcircuitry of primate visual cortex, and (b) rapid technical advances made possible by transgenic neural

Why a New Code for Novae Evolution and Mass Transfer in Binaries?

Directory of Open Access Journals (Sweden)

G. Shaviv

2015-02-01

Full Text Available One of the most interesting problems in Cataclysmic Variables is the long time scale evolution. This problem appears in long time evolution, which is also very important in the search for the progenitor of SN Ia. The classical approach to overcome this problem in the simulation of novae evolution is to assume: (1 A constant in time, rate of mass transfer. (2 The mass transfer rate that does not vary throughout the life time of the nova, even when many eruptions are considered. Here we show that these assumptions are valid only for a single thermonuclear flash and such a calculation cannot be the basis for extrapolation of the behavior over many flashes. In particular, such calculation cannot be used to predict under what conditions an accreting WD may reach the Chandrasekhar mass and collapse. We report on a new code to attack this problem. The basic idea is to create two parallel processes, one calculating the mass losing star and the other the accreting white dwarf. The two processes communicate continuously with each other and follow the time depended mass loss.

Applications of mass spectrometry in the trace element analysis of biological materials

International Nuclear Information System (INIS)

Moens, L.

1997-01-01

The importance of mass spectrometry for the analysis of biological material is illustrated by reviewing the different mass spectrometric methods applied and describing some typical applications published recently. Though atomic absorption spectrometry is used in the majority of analyses of biological material, most mass spectrometric methods have been used to some extent for trace element determination in biomedical research. The relative importance of the different methods is estimated by reviewing recent research papers. It is striking that especially inductively coupled plasma mass spectrometry is increasingly being applied, partly because the method can be used on-line after chromatographic separation, in speciation studies. Mass spectrometric methods prove to offer unique possibilities in stable isotope tracer studies and for this purpose also experimentally demanding methods such as thermal ionization mass spectrometry and accelerator mass spectrometry are frequently used. (orig.)

The frequency-dependent elements in the code SASSI: A bridge between civil engineers and the soil-structure interaction specialists

International Nuclear Information System (INIS)

Tyapin, Alexander

2007-01-01

After four decades of the intensive studies of the soil-structure interaction (SSI) effects in the field of the NPP seismic analysis there is a certain gap between the SSI specialists and civil engineers. The results obtained using the advanced SSI codes like SASSI are often rather far from the results obtained using general codes (though match the experimental and field data). The reasons for the discrepancies are not clear because none of the parties can recall the results of the 'other party' and investigate the influence of various factors causing the difference step by step. As a result, civil engineers neither feel the SSI effects, nor control them. The author believes that the SSI specialists should do the first step forward (a) recalling 'viscous' damping in the structures versus the 'material' one and (b) convoluting all the SSI wave effects into the format of 'soil springs and dashpots', more or less clear for civil engineers. The tool for both tasks could be a special finite element with frequency-dependent stiffness developed by the author for the code SASSI. This element can represent both soil and structure in the SSI model and help to split various factors influencing seismic response. In the paper the theory and some practical issues concerning the new element are presented

PLASTEF: a code for the numerical simulation of thermoelastoplastic behaviour of materials using the finite element method

International Nuclear Information System (INIS)

Basombrio, F.G.; Sanchez Sarmiento, G.

1978-01-01

A general code for solving two-dimensional thermo-elastoplastic problems in geometries of arbitrary shape using the finite element method, is presented. The initial stress incremental procedure was adopted, for given histories of load and temperature. Some classical applications are included. (Auth.)

Development of Multi-Scale Finite Element Analysis Codes for High Formability Sheet Metal Generation

International Nuclear Information System (INIS)

Nnakamachi, Eiji; Kuramae, Hiroyuki; Ngoc Tam, Nguyen; Nakamura, Yasunori; Sakamoto, Hidetoshi; Morimoto, Hideo

2007-01-01

In this study, the dynamic- and static-explicit multi-scale finite element (F.E.) codes are developed by employing the homogenization method, the crystalplasticity constitutive equation and SEM-EBSD measurement based polycrystal model. These can predict the crystal morphological change and the hardening evolution at the micro level, and the macroscopic plastic anisotropy evolution. These codes are applied to analyze the asymmetrical rolling process, which is introduced to control the crystal texture of the sheet metal for generating a high formability sheet metal. These codes can predict the yield surface and the sheet formability by analyzing the strain path dependent yield, the simple sheet forming process, such as the limit dome height test and the cylindrical deep drawing problems. It shows that the shear dominant rolling process, such as the asymmetric rolling, generates ''high formability'' textures and eventually the high formability sheet. The texture evolution and the high formability of the newly generated sheet metal experimentally were confirmed by the SEM-EBSD measurement and LDH test. It is concluded that these explicit type crystallographic homogenized multi-scale F.E. code could be a comprehensive tool to predict the plastic induced texture evolution, anisotropy and formability by the rolling process and the limit dome height test analyses

Non-linear heat transfer computer code by finite element method

International Nuclear Information System (INIS)

Nagato, Kotaro; Takikawa, Noboru

1977-01-01

The computer code THETA-2D for the calculation of temperature distribution by the two-dimensional finite element method was made for the analysis of heat transfer in a high temperature structure. Numerical experiment was performed for the numerical integration of the differential equation of heat conduction. The Runge-Kutta method of the numerical experiment produced an unstable solution. A stable solution was obtained by the β method with the β value of 0.35. In high temperature structures, the radiative heat transfer can not be neglected. To introduce a term of the radiative heat transfer, a functional neglecting the radiative heat transfer was derived at first. Then, the radiative term was added after the discretion by variation method. Five model calculations were carried out by the computer code. Calculation of steady heat conduction was performed. When estimated initial temperature is 1,000 degree C, reasonable heat blance was obtained. In case of steady-unsteady temperature calculation, the time integral by THETA-2D turned out to be under-estimation for enthalpy change. With a one-dimensional model, the temperature distribution in a structure, in which heat conductivity is dependent on temperature, was calculated. Calculation with a model which has a void inside was performed. Finally, model calculation for a complex system was carried out. (Kato, T.)

ELLIPT2D: A Flexible Finite Element Code Written Python

International Nuclear Information System (INIS)

Pletzer, A.; Mollis, J.C.

2001-01-01

The use of the Python scripting language for scientific applications and in particular to solve partial differential equations is explored. It is shown that Python's rich data structure and object-oriented features can be exploited to write programs that are not only significantly more concise than their counter parts written in Fortran, C or C++, but are also numerically efficient. To illustrate this, a two-dimensional finite element code (ELLIPT2D) has been written. ELLIPT2D provides a flexible and easy-to-use framework for solving a large class of second-order elliptic problems. The program allows for structured or unstructured meshes. All functions defining the elliptic operator are user supplied and so are the boundary conditions, which can be of Dirichlet, Neumann or Robbins type. ELLIPT2D makes extensive use of dictionaries (hash tables) as a way to represent sparse matrices.Other key features of the Python language that have been widely used include: operator over loading, error handling, array slicing, and the Tkinter module for building graphical use interfaces. As an example of the utility of ELLIPT2D, a nonlinear solution of the Grad-Shafranov equation is computed using a Newton iterative scheme. A second application focuses on a solution of the toroidal Laplace equation coupled to a magnetohydrodynamic stability code, a problem arising in the context of magnetic fusion research

Analysis of trace elements by means of accelerator secondary ion mass spectrometry

International Nuclear Information System (INIS)

Ender, R.M.

1997-01-01

The analysis of material composition and trace element concentration is of increasing interest primarily in semiconductor technology but also in metallurgy, geology, biology and medicine. At present, Secondary Ion Mass Spectrometry (SIMS) is in many respects the best technique to provide 3-dimensional information on the distribution of trace elements with concentrations below 1 ppm. However, due to the presence of molecular ions the detectability of many trace elements it restricted because of molecular mass interferences. In addition, detectors used in SIMS have a background counting rate of 0.1-1 Hz, which further limits trace element analysis. In Accelerator Mass Spectrometry (AMS) long-lived radionuclides are detected free of molecular interferences and detector background at isotopic ratios as low as 10 -15 . Moreover, isobaric interferences can be reduced as well. In order to benefit from these advantages a combination of SIMS and AMS (Accelerator SIMS) has been proposed almost 20 years ago, but no facility has ever been fully developed. It has been the aim of this work to add a new sputtering chamber for AMS measurements of ultrapure semiconductor material to the existing PSI/ETH AMS facility. To fulfill the requirements of material analysis, an UHV chamber with special precautions against contamination has been built and adapted to the existing AMS setup. For sputtering, a commercial Cs gun with an ExB filter and a 1 o beam bend for neutral particle suppression is used to obtain a pure Cs ion beam. The gun is equipped with different apertures for varying the diameter of the beam spot. With the integrated scanning unit the 10 keV Cs beam can be rastered over approximately 1 mm 2 . This allows different applications such as bulk analysis, depth profiling and imaging. The secondary ion extraction is matched to the ion optical and geometrical requirements of the existing accelerator mass spectrometer. (author) figs., tabs., 67 refs

Rn3D: A finite element code for simulating gas flow and radon transport in variably saturated, nonisothermal porous media

International Nuclear Information System (INIS)

Holford, D.J.

1994-01-01

This document is a user's manual for the Rn3D finite element code. Rn3D was developed to simulate gas flow and radon transport in variably saturated, nonisothermal porous media. The Rn3D model is applicable to a wide range of problems involving radon transport in soil because it can simulate either steady-state or transient flow and transport in one-, two- or three-dimensions (including radially symmetric two-dimensional problems). The porous materials may be heterogeneous and anisotropic. This manual describes all pertinent mathematics related to the governing, boundary, and constitutive equations of the model, as well as the development of the finite element equations used in the code. Instructions are given for constructing Rn3D input files and executing the code, as well as a description of all output files generated by the code. Five verification problems are given that test various aspects of code operation, complete with example input files, FORTRAN programs for the respective analytical solutions, and plots of model results. An example simulation is presented to illustrate the type of problem Rn3D is designed to solve. Finally, instructions are given on how to convert Rn3D to simulate systems other than radon, air, and water

A comparison study for mass attenuation coefficients of some amino acids using MCNP code

Energy Technology Data Exchange (ETDEWEB)

Vahabi, Seyed Milad; Bahreynipour, Mostean; Shamsaie-Zafarghandi, Mojtaba [Amirkabir Univ. of Technology, Tehran (Iran, Islamic Republic of). Dept. of Energy Engineering and Physics

2017-07-15

In this study, a novel model of MCNP4C code reported recently was used to determine the photon mass attenuation coefficients of some amino acids at energies, 123, 360, 511, 662, 1170, 1280 and 1330 keV. The simulation results were compared with the XCOM data. It was indicated that the results were highly close to the calculated XCOM values. Obtained results were used to calculate the molar extinction coefficient. All the results showed the convenience and usefulness of the model in calculation of mass attenuation coefficients of amino acids.

Modeling the self-affine structure and optimization conditions of city systems using the idea from fractals

International Nuclear Information System (INIS)

Chen Yanguang; Lin Jingyi

2009-01-01

This paper demonstrates self-affine fractal structure of city systems by means of theoretical and empirical analyses. A Cobb-Douglas-type function (C-D function) of city systems is derived from a general urban response equation, and the partial scaling exponent of the C-D function proved to be the fractal dimension reflecting the self-affine features of city systems. As a case, the self-affine fractal model is applied to the city of Zhengzhou, China, and the result is satisfying. A fractal parameter equation indicative of structural optimization conditions is then obtained from the C-D function. The equation suggests that priority should be given to the development of the urban element with a lower fractal dimension, or a higher partial scaling exponent, for utility maximization. Moreover, the fractal dimensions of different urban elements tend to become equivalent to each other in the long term. Accordingly, it is self-similar fractals rather than self-affine fractals that represent the optimal structure of city systems under ideal conditions.

Mathematical analysis of frontal affinity chromatography in particle and membrane configurations.

Science.gov (United States)

Tejeda-Mansir, A; Montesinos, R M; Guzmán, R

2001-10-30

methods for estimating the parameters that characterize the mass-transfer and adsorption mechanisms in affinity systems are described.

Long-lived heavy mass elements half-lives (A > 125)

International Nuclear Information System (INIS)

Holden, N.E.

1985-01-01

Reported values of half-lives of intermediate mass and heavy elements are evaluated. The evaluation analysis estimates the systematic error the resulting standard deviation. Recommended values are then presented for 128 Te, 130 Te, 129 I, 138 La, 144 Nd, 145 Nd, /sup 146,147,148/Sm, 152 Gd, 154 Dy, 176 Lu, 174 Hf, 180 Ta, 187 Re, 186 Os, 190 Pt, /sup 204,205/Pb, and /sup 230,232/Th. 103 refs., 21 tabs

Investigation of PARP-1, PARP-2, and PARG interactomes by affinity-purification mass spectrometry

Directory of Open Access Journals (Sweden)

Isabelle Maxim

2010-04-01

Full Text Available Abstract Background Poly(ADP-ribose polymerases (PARPs catalyze the formation of poly(ADP-ribose (pADPr, a post-translational modification involved in several important biological processes, namely surveillance of genome integrity, cell cycle progression, initiation of the DNA damage response, apoptosis, and regulation of transcription. Poly(ADP-ribose glycohydrolase (PARG, on the other hand, catabolizes pADPr and thereby accounts for the transient nature of poly(ADP-ribosylation. Our investigation of the interactomes of PARP-1, PARP-2, and PARG by affinity-purification mass spectrometry (AP-MS aimed, on the one hand, to confirm current knowledge on these interactomes and, on the other hand, to discover new protein partners which could offer insights into PARPs and PARG functions. Results PARP-1, PARP-2, and PARG were immunoprecipitated from human cells, and pulled-down proteins were separated by gel electrophoresis prior to in-gel trypsin digestion. Peptides were identified by tandem mass spectrometry. Our AP-MS experiments resulted in the identifications of 179 interactions, 139 of which are novel interactions. Gene Ontology analysis of the identified protein interactors points to five biological processes in which PARP-1, PARP-2 and PARG may be involved: RNA metabolism for PARP-1, PARP-2 and PARG; DNA repair and apoptosis for PARP-1 and PARP-2; and glycolysis and cell cycle for PARP-1. Conclusions This study reveals several novel protein partners for PARP-1, PARP-2 and PARG. It provides a global view of the interactomes of these proteins as well as a roadmap to establish the systems biology of poly(ADP-ribose metabolism.

Simulating the influence of plasma protein on measured receptor affinity in biochemical assays reveals the utility of Schild analysis for estimating compound affinity for plasma proteins.

Science.gov (United States)

Blakeley, D; Sykes, D A; Ensor, P; Bertran, E; Aston, P J; Charlton, S J

2015-11-01

Plasma protein binding (PPB) influences the free fraction of drug available to bind to its target and is therefore an important consideration in drug discovery. While traditional methods for assessing PPB (e.g. rapid equilibrium dialysis) are suitable for comparing compounds with relatively weak PPB, they are not able to accurately discriminate between highly bound compounds (typically >99.5%). The aim of the present work was to use mathematical modelling to explore the potential utility of receptor binding and cellular functional assays to estimate the affinity of compounds for plasma proteins. Plasma proteins are routinely added to in vitro assays, so a secondary goal was to investigate the effect of plasma proteins on observed ligand-receptor interactions. Using the principle of conservation of mass and the law of mass action, a cubic equation was derived describing the ligand-receptor complex [LR] in the presence of plasma protein at equilibrium. The model demonstrates the profound influence of PPB on in vitro assays and identifies the utility of Schild analysis, which is usually applied to determine receptor-antagonist affinities, for calculating affinity at plasma proteins (termed KP ). We have also extended this analysis to functional effects using operational modelling and demonstrate that these approaches can also be applied to cell-based assay systems. These mathematical models can potentially be used in conjunction with experimental data to estimate drug-plasma protein affinities in the earliest phases of drug discovery programmes. © 2015 The British Pharmacological Society.

SANTOS - a two-dimensional finite element program for the quasistatic, large deformation, inelastic response of solids

Energy Technology Data Exchange (ETDEWEB)

Stone, C.M.

1997-07-01

SANTOS is a finite element program designed to compute the quasistatic, large deformation, inelastic response of two-dimensional planar or axisymmetric solids. The code is derived from the transient dynamic code PRONTO 2D. The solution strategy used to compute the equilibrium states is based on a self-adaptive dynamic relaxation solution scheme, which is based on explicit central difference pseudo-time integration and artificial mass proportional damping. The element used in SANTOS is a uniform strain 4-node quadrilateral element with an hourglass control scheme to control the spurious deformation modes. Finite strain constitutive models for many common engineering materials are included. A robust master-slave contact algorithm for modeling sliding contact is implemented. An interface for coupling to an external code is also provided. 43 refs., 22 figs.

Implementation of thermo-viscoplastic constitutive equations into the finite element code ABAQUS

International Nuclear Information System (INIS)

Youn, Sam Son; Lee, Soon Bok; Kim, Jong Bum; Lee, Hyeong Yeon; Yoo, Bong

1998-01-01

Sophisticated viscoplatic constitutive laws describing material behavior at high temperature have been implemented in the general-purpose finite element code ABAQUS to predict the viscoplastic response of structures to cyclic loading. Because of the complexity of viscoplastic constitutive equation, the general implementation methods are developed. The solution of the non-linear system of algebraic equations arising from time discretization is determined using line-search and back-tracking in combination with Newton method. The time integration method of the constitutive equations is based on semi-implicit method with efficient time step control. For numerical examples, the viscoplastic model proposed by Chaboche is implemented and several applications are illustrated

Bioessential element-depleted ocean following the euxinic maximum of the end-Permian mass extinction

Science.gov (United States)

Takahashi, Satoshi; Yamasaki, Shin-ichi; Ogawa, Yasumasa; Kimura, Kazuhiko; Kaiho, Kunio; Yoshida, Takeyoshi; Tsuchiya, Noriyoshi

2014-05-01

We describe variations in trace element compositions that occurred on the deep seafloor of palaeo-superocean Panthalassa during the end-Permian mass extinction based on samples of sedimentary rock from one of the most continuous Permian-Triassic boundary sections of the pelagic deep sea exposed in north-eastern Japan. Our measurements revealed low manganese (Mn) enrichment factor (normalised by the composition of the average upper continental crust) and high cerium anomaly values throughout the section, suggesting that a reducing condition already existed in the depositional environment in the Changhsingian (Late Permian). Other redox-sensitive trace-element (vanadium [V], chromium [Cr], molybdenum [Mo], and uranium [U]) enrichment factors provide a detailed redox history ranging from the upper Permian to the end of the Permian. A single V increase (representing the first reduction state of a two-step V reduction process) detected in uppermost Changhsingian chert beds suggests development into a mildly reducing deep-sea condition less than 1 million years before the end-Permian mass extinction. Subsequently, a more reducing condition, inferred from increases in Cr, V, and Mo, developed in overlying Changhsingian grey siliceous claystone beds. The most reducing sulphidic condition is recognised by the highest peaks of Mo and V (second reduction state) in the uppermost siliceous claystone and overlying lowermost black claystone beds, in accordance with the end-Permian mass extinction event. This significant increase in Mo in the upper Changhsingian led to a high Mo/U ratio, much larger than that of modern sulphidic ocean regions. This trend suggests that sulphidic water conditions developed both at the sediment-water interface and in the water column. Above the end-Permian mass extinction horizon, Mo, V and Cr decrease significantly. On this trend, we provide an interpretation of drawdown of these elements in seawater after the massive element precipitation event

The solutions of affine and conformal affine Toda field theory

International Nuclear Information System (INIS)

Papadopoulos, G.; Spence, B.

1994-02-01

We give new formulations of the solutions of the field equations of the affine Toda and conformal affine Toda theories on a cylinder and two-dimensional Minkowski space-time. These solutions are parameterised in terms of initial data and the resulting covariant phase spaces are diffeomorphic to the Hamiltonian ones. We derive the fundamental Poisson brackets of the parameters of the solutions and give the general static solutions for the affine theory. (authors). 10 refs

Analysis of experiments of the University of Hannover with the Cathare code on fluid dynamic effects in the fuel element top nozzle area during refilling and reflooding

International Nuclear Information System (INIS)

Bestion, D.

1989-11-01

The CATHARE code is used to calculate the experiment of the University of Hannover concerning the flooding limit at the fuel element top nozzle area. Some qualitative and quantitativ limit at the fuel element top nozzle area. on both the actual fluid dynamics which is observed in the experiments and on the corresponding code behaviour. Shortcomings of the present models are clearly identified. New developments are proposed which should extend the code capabilities

ABAQUS-EPGEN: a general-purpose finite element code. Volume 3. Example problems manual

International Nuclear Information System (INIS)

Hibbitt, H.D.; Karlsson, B.I.; Sorensen, E.P.

1983-03-01

This volume is the Example and Verification Problems Manual for ABAQUS/EPGEN. Companion volumes are the User's, Theory and Systems Manuals. This volume contains two major parts. The bulk of the manual (Sections 1-8) contains worked examples that are discussed in detail, while Appendix A documents a large set of basic verification cases that provide the fundamental check of the elements in the code. The examples in Sections 1-8 illustrate and verify significant aspects of the program's capability. Most of these problems provide verification, but they have also been chosen to allow discussion of modeling and analysis techniques. Appendix A contains basic verification cases. Each of these cases verifies one element in the program's library. The verification consists of applying all possible load or flux types (including thermal loading of stress elements), and all possible foundation or film/radiation conditions, and checking the resulting force and stress solutions or flux and temperature results. This manual provides program verification. All of the problems described in the manual are run and the results checked, for each release of the program, and these verification results are made available

A free surface algorithm in the N3S finite element code for turbulent flows

International Nuclear Information System (INIS)

Nitrosso, B.; Pot, G.; Abbes, B.; Bidot, T.

1995-08-01

In this paper, we present a free surface algorithm which was implemented in the N3S code. Free surfaces are represented by marker particles which move through a mesh. It is assumed that the free surface is located inside each element that contains markers and surrounded by at least one element with no marker inside. The mesh is then locally adjusted in order to coincide with the free surface which is well defined by the forefront marker particles. After describing the governing equations and the N3S solving methods, we present the free surface algorithm. Results obtained for two-dimensional and three-dimensional industrial problems of mould filling are presented. (authors). 5 refs., 2 figs

Specific capture of uranyl protein targets by metal affinity chromatography

International Nuclear Information System (INIS)

Basset, C.; Dedieu, A.; Guerin, P.; Quemeneur, E.; Meyer, D.; Vidaud, C.

2008-01-01

To improve general understanding of biochemical mechanisms in the field of uranium toxicology, the identification of protein targets needs to be intensified. Immobilized metal affinity chromatography (IMAC) has been widely developed as a powerful tool for capturing metal binding proteins from biological extracts. However uranyl cations (UO 2 2+ ) have particular physico-chemical characteristics which prevent them from being immobilized on classical metal chelating supports. We report here on the first development of an immobilized uranyl affinity chromatography method, based on the cation-exchange properties of amino-phosphonate groups for uranyl binding. The cation distribution coefficient and loading capacity on the support were determined. Then the stability of the uranyl-bonded phase under our chromatographic conditions was optimized to promote affinity mechanisms. The successful enrichment of uranyl binding proteins from human serum was then proven using proteomic and mass spectral analysis. (authors)

Robust pattern decoding in shape-coded structured light

Science.gov (United States)

Tang, Suming; Zhang, Xu; Song, Zhan; Song, Lifang; Zeng, Hai

2017-09-01

Decoding is a challenging and complex problem in a coded structured light system. In this paper, a robust pattern decoding method is proposed for the shape-coded structured light in which the pattern is designed as grid shape with embedded geometrical shapes. In our decoding method, advancements are made at three steps. First, a multi-template feature detection algorithm is introduced to detect the feature point which is the intersection of each two orthogonal grid-lines. Second, pattern element identification is modelled as a supervised classification problem and the deep neural network technique is applied for the accurate classification of pattern elements. Before that, a training dataset is established, which contains a mass of pattern elements with various blurring and distortions. Third, an error correction mechanism based on epipolar constraint, coplanarity constraint and topological constraint is presented to reduce the false matches. In the experiments, several complex objects including human hand are chosen to test the accuracy and robustness of the proposed method. The experimental results show that our decoding method not only has high decoding accuracy, but also owns strong robustness to surface color and complex textures.

Controlled Dissolution of Surface Layers for Elemental Analysis by Inductively Coupled Plasma-Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

Lorge, Susan Elizabeth [Iowa State Univ., Ames, IA (United States)

2007-01-01

Determining the composition of thin layers is increasingly important for a variety of industrial materials such as adhesives, coatings and microelectronics. Secondary ion mass spectrometry (SIMS), Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), glow discharge optical emission spectroscopy (GDOES), glow discharge mass spectrometry (GDMS), and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) are some of the techniques that are currently employed for the direct analysis of the sample surface. Although these techniques do not suffer from the contamination problems that often plague sample dissolution studies, they do require matrix matched standards for quantification. Often, these standards are not readily available. Despite the costs of clean hoods, Teflon pipette tips and bottles, and pure acids, partial sample dissolution is the primary method used in the semiconductor industry to quantify surface impurities. Specifically, vapor phase decomposition (VPD) coupled to ICP-MS or total reflection x-ray fluorescence (TXRF) provides elemental information from the top most surface layers at detection sensitivities in the 10⁷-10¹⁰atoms/cm² range. The ability to quantify with standard solutions is a main advantage of these techniques. Li and Houk applied a VPD-like technique to steel. The signal ratio of trace element to matrix element was used for quantification. Although controlled dissolution concentrations determined for some of the dissolved elements agreed with the certified values, concentrations determined for refractory elements (Ti, Nb and Ta) were too low. LA-ICP-MS and scanning electron microscopy (SEM) measurements indicated that carbide grains distributed throughout the matrix were high in these refractory elements. These elements dissolved at a slower rate than the matrix element, Fe. If the analyte element is not removed at a rate similar to the matrix element a true

Lectin affinity electrophoresis.

Science.gov (United States)

Kobayashi, Yuka

2014-01-01

An interaction or a binding event typically changes the electrophoretic properties of a molecule. Affinity electrophoresis methods detect changes in the electrophoretic pattern of molecules (mainly macromolecules) that occur as a result of biospecific interactions or complex formation. Lectin affinity electrophoresis is a very effective method for the detection and analysis of trace amounts of glycobiological substances. It is particularly useful for isolating and separating the glycoisomers of target molecules. Here, we describe a sensitive technique for the detection of glycoproteins separated by agarose gel-lectin affinity electrophoresis that uses antibody-affinity blotting. The technique is tested using α-fetoprotein with lectin (Lens culinaris agglutinin and Phaseolus vulgaris agglutinin)-agarose gels.

Lumped Mass Modeling for Local-Mode-Suppressed Element Connectivity

DEFF Research Database (Denmark)

Joung, Young Soo; Yoon, Gil Ho; Kim, Yoon Young

2005-01-01

connectivity parameterization (ECP) is employed. On the way to the ultimate crashworthy structure optimization, we are now developing a local mode-free topology optimization formulation that can be implemented in the ECP method. In fact, the local mode-freeing strategy developed here can be also used directly...... experiencing large structural changes, appears to be still poor. In ECP, the nodes of the domain-discretizing elements are connected by zero-length one-dimensional elastic links having varying stiffness. For computational efficiency, every elastic link is now assumed to have two lumped masses at its ends....... Choosing appropriate penalization functions for lumped mass and link stiffness is important for local mode-free results. However, unless the objective and constraint functions are carefully selected, it is difficult to obtain clear black-and-white results. It is shown that the present formulation is also...

Estimation of atomic masses of heavy and superheavy elements

Energy Technology Data Exchange (ETDEWEB)

Uno, Masahiro [Ministry of Education, Science and Culture, Tokyo (Japan)

1997-07-01

To estimate unknown atomic masses of heavy and superheavy elements, three kinds of formula: FRDM (finite range droplet model by Moeller et al.), TUYY (an empirical formula by Tachibana et al.) and our KUTY are explained. KUTY estimates the crude shell energies of spherical nucleus from sum of single-particle energies. Then, the refined shell energies in due consideration of paring and deformation are obtained by mixing with the functions of the crude shell energies. Experimental values of U and Fm isotopes were compared with estimation mass of KUTY and FRDM. In the field with experimental values of U isotopes, the value of KUTY and FRDM separated the same difference from the experimental value. The behavior of KUTY and FRDM for Fm isotopes were same as that of U, but ETFSI deviated a little from the experimental values. (S.Y.)

Low-complexity piecewise-affine virtual sensors: theory and design

Science.gov (United States)

Rubagotti, Matteo; Poggi, Tomaso; Oliveri, Alberto; Pascucci, Carlo Alberto; Bemporad, Alberto; Storace, Marco

2014-03-01

This paper is focused on the theoretical development and the hardware implementation of low-complexity piecewise-affine direct virtual sensors for the estimation of unmeasured variables of interest of nonlinear systems. The direct virtual sensor is designed directly from measured inputs and outputs of the system and does not require a dynamical model. The proposed approach allows one to design estimators which mitigate the effect of the so-called 'curse of dimensionality' of simplicial piecewise-affine functions, and can be therefore applied to relatively high-order systems, enjoying convergence and optimality properties. An automatic toolchain is also presented to generate the VHDL code describing the digital circuit implementing the virtual sensor, starting from the set of measured input and output data. The proposed methodology is applied to generate an FPGA implementation of the virtual sensor for the estimation of vehicle lateral velocity, using a hardware-in-the-loop setting.

Mass spectrographic analysis of selected chemical elements by microbial leaching of zircon

International Nuclear Information System (INIS)

Becker, S.; Dietze, H.J.; Bullmann, M.; Iske, U.

1986-01-01

Spark source mass spectrometry is a useful method for chemical element analysis of geological and biological samples. This sensitive technique (detection limit down to the ppb-range) is used to analyze leaching processes by means of several microorganisms. The problem of microbial leaching of chemical resistent materials was tested under laboratory conditions with regard to possible analytical and technical applications. Leaching of metals with chemolithotrophic and heterotrophic, organic acids producing microorganisms has been investigated with zircon from the Baltic Shield containing 0.7% rare earth elements and 1.67% hafnium. When zircon is leached with strains of thiobacillus ferrooxidans about 80% of the rare earth elements, Hf, Th and U can be recovered. (orig.) [de

The computer code EURDYN - 1 M (release 1) for transient dynamic fluid-structure interaction. Pt.1: governing equations and finite element modelling

International Nuclear Information System (INIS)

Donea, J.; Fasoli-Stella, P.; Giuliani, S.; Halleux, J.P.; Jones, A.V.

1980-01-01

This report describes the governing equations and the finite element modelling used in the computer code EURDYN - 1 M. The code is a non-linear transient dynamic program for the analysis of coupled fluid-structure systems; It is designed for safety studies on LMFBR components (primary containment and fuel subassemblies)

Coupled porohyperelastic mass transport (PHEXPT) finite element models for soft tissues using ABAQUS.

Science.gov (United States)

Vande Geest, Jonathan P; Simon, B R; Rigby, Paul H; Newberg, Tyler P

2011-04-01

Finite element models (FEMs) including characteristic large deformations in highly nonlinear materials (hyperelasticity and coupled diffusive/convective transport of neutral mobile species) will allow quantitative study of in vivo tissues. Such FEMs will provide basic understanding of normal and pathological tissue responses and lead to optimization of local drug delivery strategies. We present a coupled porohyperelastic mass transport (PHEXPT) finite element approach developed using a commercially available ABAQUS finite element software. The PHEXPT transient simulations are based on sequential solution of the porohyperelastic (PHE) and mass transport (XPT) problems where an Eulerian PHE FEM is coupled to a Lagrangian XPT FEM using a custom-written FORTRAN program. The PHEXPT theoretical background is derived in the context of porous media transport theory and extended to ABAQUS finite element formulations. The essential assumptions needed in order to use ABAQUS are clearly identified in the derivation. Representative benchmark finite element simulations are provided along with analytical solutions (when appropriate). These simulations demonstrate the differences in transient and steady state responses including finite deformations, total stress, fluid pressure, relative fluid, and mobile species flux. A detailed description of important model considerations (e.g., material property functions and jump discontinuities at material interfaces) is also presented in the context of finite deformations. The ABAQUS-based PHEXPT approach enables the use of the available ABAQUS capabilities (interactive FEM mesh generation, finite element libraries, nonlinear material laws, pre- and postprocessing, etc.). PHEXPT FEMs can be used to simulate the transport of a relatively large neutral species (negligible osmotic fluid flux) in highly deformable hydrated soft tissues and tissue-engineered materials.

Comprehensive Characterization of Minichromosome Maintenance Complex (MCM) Protein Interactions Using Affinity and Proximity Purifications Coupled to Mass Spectrometry.

Science.gov (United States)

Dubois, Marie-Line; Bastin, Charlotte; Lévesque, Dominique; Boisvert, François-Michel

2016-09-02

The extensive identification of protein-protein interactions under different conditions is an important challenge to understand the cellular functions of proteins. Here we use and compare different approaches including affinity purification and purification by proximity coupled to mass spectrometry to identify protein complexes. We explore the complete interactome of the minichromosome maintenance (MCM) complex by using both approaches for all of the different MCM proteins. Overall, our analysis identified unique and shared interaction partners and proteins enriched for distinct biological processes including DNA replication, DNA repair, and cell cycle regulation. Furthermore, we mapped the changes in protein interactions of the MCM complex in response to DNA damage, identifying a new role for this complex in DNA repair. In summary, we demonstrate the complementarity of these approaches for the characterization of protein interactions within the MCM complex.

Development of dynamic explicit crystallographic homogenization finite element analysis code to assess sheet metal formability

International Nuclear Information System (INIS)

Nakamura, Yasunori; Tam, Nguyen Ngoc; Ohata, Tomiso; Morita, Kiminori; Nakamachi, Eiji

2004-01-01

The crystallographic texture evolution induced by plastic deformation in the sheet metal forming process has a great influence on its formability. In the present study, a dynamic explicit finite element (FE) analysis code is newly developed by introducing a crystallographic homogenization method to estimate the polycrystalline sheet metal formability, such as the extreme thinning and 'earing'. This code can predict the plastic deformation induced texture evolution at the micro scale and the plastic anisotropy at the macro scale, simultaneously. This multi-scale analysis can couple the microscopic crystal plasticity inhomogeneous deformation with the macroscopic continuum deformation. In this homogenization process, the stress at the macro scale is defined by the volume average of those of the corresponding microscopic crystal aggregations in satisfying the equation of motion and compatibility condition in the micro scale 'unit cell', where the periodicity of deformation is satisfied. This homogenization algorithm is implemented in the conventional dynamic explicit finite element code by employing the updated Lagrangian formulation and the rate type elastic/viscoplastic constitutive equation.At first, it has been confirmed through a texture evolution analyses in cases of typical deformation modes that Taylor's 'constant strain homogenization algorithm' yields extreme concentration toward the preferred crystal orientations compared with our homogenization one. Second, we study the plastic anisotropy effects on 'earing' in the hemispherical cup deep drawing process of pure ferrite phase sheet metal. By the comparison of analytical results with those of Taylor's assumption, conclusions are drawn that the present newly developed dynamic explicit crystallographic homogenization FEM shows more reasonable prediction of plastic deformation induced texture evolution and plastic anisotropy at the macro scale

Lp-dual affine surface area

Science.gov (United States)

Wei, Wang; Binwu, He

2008-12-01

According to the notion of Lp-affine surface area by Lutwak, in this paper, we introduce the concept of Lp-dual affine surface area. Further, we establish the affine isoperimetric inequality and the Blaschke-Santaló inequality for Lp-dual affine surface area. Besides, the dual Brunn-Minkowski inequality for Lp-dual affine surface area is presented.

KIN SP: A boundary element method based code for single pile kinematic bending in layered soil

Directory of Open Access Journals (Sweden)

Stefano Stacul

2018-02-01

Full Text Available In high seismicity areas, it is important to consider kinematic effects to properly design pile foundations. Kinematic effects are due to the interaction between pile and soil deformations induced by seismic waves. One of the effect is the arise of significant strains in weak soils that induce bending moments on piles. These moments can be significant in presence of a high stiffness contrast in a soil deposit. The single pile kinematic interaction problem is generally solved with beam on dynamic Winkler foundation approaches (BDWF or using continuous models. In this work, a new boundary element method (BEM based computer code (KIN SP is presented where the kinematic analysis is preceded by a free-field response analysis. The analysis results of this method, in terms of bending moments at the pile-head and at the interface of a two-layered soil, are influenced by many factors including the soil–pile interface discretization. A parametric study is presented with the aim to suggest the minimum number of boundary elements to guarantee the accuracy of a BEM solution, for typical pile–soil relative stiffness values as a function of the pile diameter, the location of the interface of a two-layered soil and of the stiffness contrast. KIN SP results have been compared with simplified solutions in literature and with those obtained using a quasi-three-dimensional (3D finite element code.

Multi-elemental determination of trace elements in deep seawater by inductively coupled plasma mass spectrometry with resin preconcentration

International Nuclear Information System (INIS)

Sumida, Takashi; Nakazato, Tetsuya; Tao, Hiroaki

2003-01-01

A miniaturized column (ca. 3 mm i.d., 40 mm length), packed with a chelating resin (0.2 g) with iminodiacetic acid groups (Muromac A-1), was tested for the preconcentration of trace elements in seawater. After preconcentration, the column was washed with ammonium acetate buffer (pH 5.5) and water to remove the major elements, such as Ca and Mg, and was then eluted with 4 ml of 2 mol l -1 nitric acid. Twenty-six trace elements were determined by inductively coupled plasma mass spectrometry and inductively coupled plasma emission spectrometry. The necessary volume of the seawater sample was only 200 ml. The recoveries for most of the elements tested were over 90%, although those for Al, V and Th were around 70%. The trueness and precision were evaluated by analyzing a standard reference material of seawater (NASS-4, NRC Canada). The observed values obtained with the present method showed good agreement with the certified values. The present method was also applied to deep seawater samples collected at Muroto, Japan. A difference in the rare earth element pattern, especially the Ce anomaly, between the deep seawater sample and the surface seawater sample was observed, as well as the differences of the concentrations of many trace elements. (author)

A code for quantitative analysis of light elements in thick samples by PIGE

International Nuclear Information System (INIS)

Mateus, R.; Jesus, A.P.; Ribeiro, J.P.

2005-01-01

This work presents a code developed for the quantitative analysis of light elements in thick samples by PIGE. The new method avoids the use of standards in the analysis, using a formalism similar to the one used for PIXE analysis, where the excitation function of the nuclear reaction related to the gamma-ray emission is integrated along the depth of the sample. In order to check the validity of the code, we present results for the analysis of Lithium, Boron, Fluorine and Sodium in thick samples. For this purpose, the experimental values of the excitation functions of the reactions 7 Li(p,p'γ) 7 Li, 10 B(p,αγ) 7 Be, 19 F(p,p'γ) 19 F and 23 Na(p,p'γ) 23 Na were used as input. For stopping power cross-sections calculations the semi-empirical equations of Ziegler et al. and the Bragg's rule were used. Agreement between the experimental and the calculated gamma-ray yields was always better than 7.5%

Application of consistent fluid added mass matrix to core seismic

International Nuclear Information System (INIS)

Koo, K. H.; Lee, J. H.

2003-01-01

In this paper, the application algorithm of a consistent fluid added mass matrix including the coupling terms to the core seismic analysis is developed and installed at SAC-CORE3.0 code. As an example, we assumed the 7-hexagon system of the LMR core and carried out the vibration modal analysis and the nonlinear time history seismic response analysis using SAC-CORE3.0. Used consistent fluid added mass matrix is obtained by using the finite element program of the FAMD(Fluid Added Mass and Damping) code. From the results of the vibration modal analysis, the core duct assemblies reveal strongly coupled vibration modes, which are so different from the case of in-air condition. From the results of the time history seismic analysis, it was verified that the effects of the coupled terms of the consistent fluid added mass matrix are significant in impact responses and the dynamic responses

Converter of a continuous code into the Grey code

International Nuclear Information System (INIS)

Gonchar, A.I.; TrUbnikov, V.R.

1979-01-01

Described is a converter of a continuous code into the Grey code used in a 12-charged precision amplitude-to-digital converter to decrease the digital component of spectrometer differential nonlinearity to +0.7% in the 98% range of the measured band. To construct the converter of a continuous code corresponding to the input signal amplitude into the Grey code used is the regularity in recycling of units and zeroes in each discharge of the Grey code in the case of a continuous change of the number of pulses of a continuous code. The converter is constructed on the elements of 155 series, the frequency of continuous code pulse passing at the converter input is 25 MHz

Image authentication using distributed source coding.

Science.gov (United States)

Lin, Yao-Chung; Varodayan, David; Girod, Bernd

2012-01-01

We present a novel approach using distributed source coding for image authentication. The key idea is to provide a Slepian-Wolf encoded quantized image projection as authentication data. This version can be correctly decoded with the help of an authentic image as side information. Distributed source coding provides the desired robustness against legitimate variations while detecting illegitimate modification. The decoder incorporating expectation maximization algorithms can authenticate images which have undergone contrast, brightness, and affine warping adjustments. Our authentication system also offers tampering localization by using the sum-product algorithm.

FINEDAN - an explicit finite-element calculation code for two-dimensional analyses of fast dynamic transients in nuclear reactor technology

International Nuclear Information System (INIS)

Adamik, V.; Matejovic, P.

1989-01-01

The problems are discussed of nonstationary, nonlinear dynamics of the continuum. A survey is presented of calculation methods in the given area with emphasis on the area of impact problems. A description is presented of the explicit finite elements method and its application to two-dimensional Cartesian and cylindrical configurations. Using the method the explicit calculation code FINEDAN was written which was tested in a series of verification calculations for different configurations and different types of continuum. The main characteristics are presented of the code and of some, of its practical applications. Envisaged trends of the development of the code and its possible applications in the technology of nuclear reactors are given. (author). 9 figs., 4 tabs., 10 refs

PYRO - new capability for isotopic mass tracking in pyroprocess simulation

International Nuclear Information System (INIS)

Liaw, J.R.; Ackerman, J.P.

1990-01-01

A new computational code package called PYRO has been developed to support the IFR fuel recycle demonstration project in the HFEF/S facility at ANL-W. The basic pyrochemical code PYRO1 1 models the atomic mass flows and phase compositions of 48 essential chemical elements involved in the pyroprocess. It has been extended to PYRO1 2 by linking with the ORIGEN code to track more than 1000 isotopic species, their radioactive decays, and related phenomena. This paper first describes the pyroprocess to be modeled and the pyrochemical capability that has been implemented in PYRO1 1 , and then gives a full account on the algorithm of extending it to PYRO1 2 for isotopic mass tracking. Results from several scoping and simulation runs will be discussed to illustrate the significance of modeling in process radioactive decays

Parallel Finite Element Particle-In-Cell Code for Simulations of Space-charge Dominated Beam-Cavity Interactions

International Nuclear Information System (INIS)

Candel, A.; Kabel, A.; Ko, K.; Lee, L.; Li, Z.; Limborg, C.; Ng, C.; Prudencio, E.; Schussman, G.; Uplenchwar, R.

2007-01-01

Over the past years, SLAC's Advanced Computations Department (ACD) has developed the parallel finite element (FE) particle-in-cell code Pic3P (Pic2P) for simulations of beam-cavity interactions dominated by space-charge effects. As opposed to standard space-charge dominated beam transport codes, which are based on the electrostatic approximation, Pic3P (Pic2P) includes space-charge, retardation and boundary effects as it self-consistently solves the complete set of Maxwell-Lorentz equations using higher-order FE methods on conformal meshes. Use of efficient, large-scale parallel processing allows for the modeling of photoinjectors with unprecedented accuracy, aiding the design and operation of the next-generation of accelerator facilities. Applications to the Linac Coherent Light Source (LCLS) RF gun are presented

Proton affinities in water of maingroup-element Hydrides - Effects of hydration and methyl substitution

NARCIS (Netherlands)

Swart, M.; Rosler, E.; Bickelhaupt, F.M.

2007-01-01

We have computed the proton affinities in water of archetypal anionic and neutral bases across the periodic table using the generalized gradient approximation (GGA) of density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. The main purpose of this work is to provide an intrinsically consistent set

Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table

NARCIS (Netherlands)

Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F. Matthias

2017-01-01

We have carried out an extensive exploration of gas-phase alkali metal cation affinities (AMCA) of archetypal anionic bases across the periodic system using relativistic density functional theory at ZORA-BP86/QZ4P//ZORA-BP86/TZ2P. AMCA values of all bases were computed for the lithium, sodium,

An Evaluation of Automated Code Generation with the PetriCode Approach

DEFF Research Database (Denmark)

Simonsen, Kent Inge

2014-01-01

Automated code generation is an important element of model driven development methodologies. We have previously proposed an approach for code generation based on Coloured Petri Net models annotated with textual pragmatics for the network protocol domain. In this paper, we present and evaluate thr...... important properties of our approach: platform independence, code integratability, and code readability. The evaluation shows that our approach can generate code for a wide range of platforms which is integratable and readable....

Description and applicability of the BEFEM-CODE

Energy Technology Data Exchange (ETDEWEB)

Groth, T.

1980-05-15

The BEFEM-CODE, developed for rock mechanics problems in hard rock with joints, is a simple FEM code constructed using triangular and quadrilateral elements. As an option, a joint element of the Goodman type may be used. The Cook-Pian type quadrilateral stress hybrid element was introduced into the version of the code used for the Naesliden project, to replace the constant stress quadrilateral elements. This hybrid element, derived with assumed stress distributions, simplifies the excavation process for use in non-linear models. The shear behavior of the Goodman 1976 joint element has been replaced by Goodman's 1968 formulation. This element makes it possible to take dilation into account, but it was not considered necessary to use dilation to simulate proper joint behavior in the Naesliden project. The code uses Barton's shear strength criteria. Excessive nodal forces due to failure and non-linearities in the joint elements are redistributed with stress transfer iterations. Convergence can be speeded up by dividing each excavation sequence into several loadsteps in which the stiffness matrix is recalculated.

Transuranium element purification by liquid-liquid extraction

International Nuclear Information System (INIS)

Madic, C.; Koehly, G.

1976-01-01

In the transuranium element production, the liquid-liquid extraction purification is presented. The affinity of TBP and trilaurylammonium nitrate for these elements is given. Exemples of NP/Pu, Pu/Np, U/Pu, Am/Cm, Am and Cm/Ln separation are presented [fr

Investigation of coolant thermal mixing within 28-element CANDU fuel bundles using the ASSERT-PV thermal hydraulics code

International Nuclear Information System (INIS)

Lightston, M.F.; Rock, R.

1996-01-01

This paper presents the results of a study of the thermal mixing of single-phase coolant in 28-element CANDU fuel bundles under steady-state conditions. The study, which is based on simulations performed using the ASSERT-PV thermal hydraulic code, consists of two main parts. In the first part the various physical mechanisms that contribute to coolant mixing are identified and their impact is isolated via ASSERT-PV simulations. The second part is concerned with development of a preliminary model suitable for use in the fuel and fuel channel code FACTAR to predict the thermal mixing that occurs between flow annuli. (author)

Thermal-hydraulic code for estimating safety limits of nuclear reactors with plate type fuels

Energy Technology Data Exchange (ETDEWEB)

Castellanos, Duvan A.; Moreira, João L.; Maiorino, Jose R.; Rossi, Pedro R.; Carajilescov, Pedro, E-mail: duvan.castellanos@ufabc.edu.br, E-mail: joao.moreira@ufabc.edu.br, E-mail: joserubens.maiorino@ufabc.edu.br, E-mail: pedro.rossi@ufabc.edu.br, E-mail: pedro.carajilescov10@gmail.com [Universidade Federal do ABC (UFABC), Santo André, SP (Brazil). Centro de Engenharias, Modelagem e Ciências Sociais Aplicadas

2017-07-01

To ensure the normal and safe operation of PWR type nuclear reactors is necessary the knowledge of nuclear and heat transfer properties of the fuel, coolant and structural materials. The thermal-hydraulic analysis of nuclear reactors yields parameters such as the distribution of fuel and coolant temperatures, and the departure from nucleated boiling ratio. Usually computational codes are used to analyze the safety performance of the core. This research work presents a computer code for performing thermal-hydraulic analyses of nuclear reactors with plate-type fuel elements operating at low pressure and temperature (research reactors) or high temperature and pressure (naval propulsion or small power reactors). The code uses the sub-channel method based on geometric and thermal-hydraulic conditions. In order to solve the conservation equations for mass, momentum and energy, each sub-channel is divided into control volumes in the axial direction. The mass flow distribution for each fuel element of core is obtained. Analysis of critical heat flux is performed in the hottest channel. The code considers the radial symmetry and the chain or cascade method for two steps in order to facilitate the whole analysis. In the first step, we divide the core into channels with size equivalent to a fuel assembly. >From this analysis, the channel with the largest enthalpy is identified as the hot assembly. In the second step, we divide the hottest fuel assembly into sub-channels with size equivalent to one actual coolant channel. As in the previous step, the sub-channel with largest final enthalpy is identified as the hottest sub-channel. For the code validation, we considered results from the chinese CARR research reactor. The code reproduced well the CARR reactor results, yielding detailed information such as static pressure in the channel, mass flow rate distribution among the fuel channels, coolant, clad and centerline fuel temperatures, quality and local heat and critical heat

Thermal-hydraulic code for estimating safety limits of nuclear reactors with plate type fuels

International Nuclear Information System (INIS)

Castellanos, Duvan A.; Moreira, João L.; Maiorino, Jose R.; Rossi, Pedro R.; Carajilescov, Pedro

2017-01-01

To ensure the normal and safe operation of PWR type nuclear reactors is necessary the knowledge of nuclear and heat transfer properties of the fuel, coolant and structural materials. The thermal-hydraulic analysis of nuclear reactors yields parameters such as the distribution of fuel and coolant temperatures, and the departure from nucleated boiling ratio. Usually computational codes are used to analyze the safety performance of the core. This research work presents a computer code for performing thermal-hydraulic analyses of nuclear reactors with plate-type fuel elements operating at low pressure and temperature (research reactors) or high temperature and pressure (naval propulsion or small power reactors). The code uses the sub-channel method based on geometric and thermal-hydraulic conditions. In order to solve the conservation equations for mass, momentum and energy, each sub-channel is divided into control volumes in the axial direction. The mass flow distribution for each fuel element of core is obtained. Analysis of critical heat flux is performed in the hottest channel. The code considers the radial symmetry and the chain or cascade method for two steps in order to facilitate the whole analysis. In the first step, we divide the core into channels with size equivalent to a fuel assembly. >From this analysis, the channel with the largest enthalpy is identified as the hot assembly. In the second step, we divide the hottest fuel assembly into sub-channels with size equivalent to one actual coolant channel. As in the previous step, the sub-channel with largest final enthalpy is identified as the hottest sub-channel. For the code validation, we considered results from the chinese CARR research reactor. The code reproduced well the CARR reactor results, yielding detailed information such as static pressure in the channel, mass flow rate distribution among the fuel channels, coolant, clad and centerline fuel temperatures, quality and local heat and critical heat

Code conforming determination of cumulative usage factors for general elastic-plastic finite element analyses

International Nuclear Information System (INIS)

Rudolph, Juergen; Goetz, Andreas; Hilpert, Roland

2012-01-01

The procedures of fatigue analyses of several relevant nuclear and conventional design codes (ASME, KTA, EN, AD) for power plant components differentiate between an elastic, simplified elastic-plastic and elastic-plastic fatigue check. As a rule, operational load levels will exclude the purely elastic fatigue check. The application of the code procedure of the simplified elastic-plastic fatigue check is common practice. Nevertheless, resulting cumulative usage factors may be overly conservative mainly due to high code based plastification penalty factors Ke. As a consequence, the more complex and still code conforming general elastic-plastic fatigue analysis methodology based on non-linear finite element analysis (FEA) is applied for fatigue design as an alternative. The requirements of the FEA and the material law to be applied have to be clarified in a first step. Current design codes only give rough guidelines on these relevant items. While the procedure for the simplified elastic-plastic fatigue analysis and the associated code passages are based on stress related cycle counting and the determination of pseudo elastic equivalent stress ranges, an adaptation to elastic-plastic strains and strain ranges is required for the elastic-plastic fatigue check. The associated requirements are explained in detail in the paper. If the established and implemented evaluation mechanism (cycle counting according to the peak and valley respectively the rainflow method, calculation of stress ranges from arbitrary load-time histories and determination of cumulative usage factors based on all load events) is to be retained, a conversion of elastic-plastic strains and strain ranges into pseudo elastic stress ranges is required. The algorithm to be applied is described in the paper. It has to be implemented in the sense of an extended post processing operation of FEA e.g. by APDL scripts in ANSYS registered . Variations of principal stress (strain) directions during the loading

SITE-94. Natural elemental mass movement in the vicinity of the Aespoe Hard Rock Laboratory

International Nuclear Information System (INIS)

Miller, W.M.; Smith, G.M.; Towler, P.A.; Savage, D.

1997-05-01

The primary objective of this study is to quantify natural elemental fluxes at a location exhibiting typical characteristics of a site for a spent fuel repository in Sweden. The relevant pathways are considered to be: Groundwater transport; Glacial erosion; Non-glacial weathering; River transport. Calculations are made of elemental mass fluxes from a volume of rock equivalent to that which would hold a KBS-3 style repository. In addition, the radioactive flux associated with the natural series radionuclide mass fluxes from the repository are also calculated. These can be compared directly to performance assessment predictions of the releases from a repository. 88 refs, 13 figs, 24 tabs

SITE-94. Natural elemental mass movement in the vicinity of the Aespoe Hard Rock Laboratory

Energy Technology Data Exchange (ETDEWEB)

Miller, W.M.; Smith, G.M.; Towler, P.A.; Savage, D. [QuantiSci, Melton Mowbray (United Kingdom)

1997-05-01

The primary objective of this study is to quantify natural elemental fluxes at a location exhibiting typical characteristics of a site for a spent fuel repository in Sweden. The relevant pathways are considered to be: Groundwater transport; Glacial erosion; Non-glacial weathering; River transport. Calculations are made of elemental mass fluxes from a volume of rock equivalent to that which would hold a KBS-3 style repository. In addition, the radioactive flux associated with the natural series radionuclide mass fluxes from the repository are also calculated. These can be compared directly to performance assessment predictions of the releases from a repository. 88 refs, 13 figs, 24 tabs.

Characterization and mass balance of trace elements in an iron ore sinter plant

Directory of Open Access Journals (Sweden)

Lucas Ladeira Lau

2016-04-01

Full Text Available Environmental legislation is becoming more restrictive in several industrial sectors, especially in the steel industry, which is well known for its large pollution potential. With the recent growth of interest in effects of trace elements on the environment and health, the inclusion of emission limits on these elements in this legislation has become increasingly popular. This article aims to describe the partitioning of trace elements between the products (sinter and plant emissions in an iron ore sinter plant, aiming to better understand the behavior of these elements in the sintering process to eventually support interventions to modify these partitions. Chemical characterization of several sintering inputs was initially performed, revealing that the steel-making residues contained large concentrations of trace elements, whereas low concentrations were observed in the flux. Based on the trace element concentrations, we analyzed the injection of trace elements in a sintering pilot using a sintering mixture. Mass balance was then used to determine the theoretical partitioning of trace elements in the sinter and emissions; cadmium, nickel, lead, mercury, and copper exhibited greater tendencies to concentrate in atmospheric emissions.

Proton Affinities of Organocatalysts Derived from Pyridine N-oxide

Czech Academy of Sciences Publication Activity Database

Váňa, J.; Roithová, J.; Kotora, Martin; Beran, Pavel; Rulíšek, Lubomír; Kočovský, Pavel

2014-01-01

Roč. 87, č. 4 (2014), s. 349-356 ISSN 0011-1643 R&D Projects: GA ČR(CZ) GA14-31419S Grant - others:GA ČR(CZ) GAP207/11/0587 Institutional support: RVO:61388963 Keywords : density functional theory * isodesmic reactions * kinetic method * mass spectrometry * organocatalysis * proton affinity * superbases Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.728, year: 2014

Analysis of lower head failure with simplified models and a finite element code

Energy Technology Data Exchange (ETDEWEB)

Koundy, V. [CEA-IPSN-DPEA-SEAC, Service d' Etudes des Accidents, Fontenay-aux-Roses (France); Nicolas, L. [CEA-DEN-DM2S-SEMT, Service d' Etudes Mecaniques et Thermiques, Gif-sur-Yvette (France); Combescure, A. [INSA-Lyon, Lab. Mecanique des Solides, Villeurbanne (France)

2001-07-01

The objective of the OLHF (OECD lower head failure) experiments is to characterize the timing, mode and size of lower head failure under high temperature loading and reactor coolant system pressure due to a postulated core melt scenario. Four tests have been performed at Sandia National Laboratories (USA), in the frame of an OECD project. The experimental results have been used to develop and validate predictive analysis models. Within the framework of this project, several finite element calculations were performed. In parallel, two simplified semi-analytical methods were developed in order to get a better understanding of the role of various parameters on the creep phenomenon, e.g. the behaviour of the lower head material and its geometrical characteristics on the timing, mode and location of failure. Three-dimensional modelling of crack opening and crack propagation has also been carried out using the finite element code Castem 2000. The aim of this paper is to present the two simplified semi-analytical approaches and to report the status of the 3D crack propagation calculations. (authors)

Detection and quantification of proteins and cells by use of elemental mass spectrometry: progress and challenges.

Science.gov (United States)

Yan, Xiaowen; Yang, Limin; Wang, Qiuquan

2013-07-01

Much progress has been made in identification of the proteins in proteomes, and quantification of these proteins has attracted much interest. In addition to popular tandem mass spectrometric methods based on soft ionization, inductively coupled plasma mass spectrometry (ICPMS), a typical example of mass spectrometry based on hard ionization, usually used for analysis of elements, has unique advantages in absolute quantification of proteins by determination of an element with a definite stoichiometry in a protein or attached to the protein. In this Trends article, we briefly describe state-of-the-art ICPMS-based methods for quantification of proteins, emphasizing protein-labeling and element-tagging strategies developed on the basis of chemically selective reactions and/or biospecific interactions. Recent progress from protein to cell quantification by use of ICPMS is also discussed, and the possibilities and challenges of ICPMS-based protein quantification for universal, selective, or targeted quantification of proteins and cells in a biological sample are also discussed critically. We believe ICPMS-based protein quantification will become ever more important in targeted quantitative proteomics and bioanalysis in the near future.

Electrochemical affinity biosensors for detection of mycotoxins: A review.

Science.gov (United States)

Vidal, Juan C; Bonel, Laura; Ezquerra, Alba; Hernández, Susana; Bertolín, Juan R; Cubel, Carlota; Castillo, Juan R

2013-11-15

This review discusses the current state of electrochemical biosensors in the determination of mycotoxins in foods. Mycotoxins are highly toxic secondary metabolites produced by molds. The acute toxicity of these results in serious human and animal health problems, although it has been only since early 1960s when the first studied aflatoxins were found to be carcinogenic. Mycotoxins affect a broad range of agricultural products, most important cereals and cereal-based foods. A majority of countries, mentioning especially the European Union, have established preventive programs to control contamination and strict laws of the permitted levels in foods. Official methods of analysis of mycotoxins normally requires sophisticated instrumentation, e.g. liquid chromatography with fluorescence or mass detectors, combined with extraction procedures for sample preparation. For about sixteen years, the use of simpler and faster analytical procedures based on affinity biosensors has emerged in scientific literature as a very promising alternative, particularly electrochemical (i.e., amperometric, impedance, potentiometric or conductimetric) affinity biosensors due to their simplicity and sensitivity. Typically, electrochemical biosensors for mycotoxins use specific antibodies or aptamers as affinity ligands, although recombinant antibodies, artificial receptors and molecular imprinted polymers show potential utility. This article deals with recent advances in electrochemical affinity biosensors for mycotoxins and covers complete literature from the first reports about sixteen years ago. Copyright © 2013 Elsevier B.V. All rights reserved.

Laser ionization time of flight mass spectrometer for isotope mass detection and elemental analysis of materials

Science.gov (United States)

Ahmed, Nasar; Ahmed, Rizwan; Umar, Z. A.; Aslam Baig, M.

2017-08-01

In this paper we present the construction and modification of a linear time-of-flight mass spectrometer to improve its mass resolution. This system consists of a laser ablation/ionization section based on a Q-switched Nd:YAG laser (532 nm, 500 mJ, 5 ns pulse duration) integrated with a one meter linear time-of-flight mass spectrometer coupled with an electric sector and a magnetic lens and outfitted with a channeltron electron multiplier for ion detection. The resolution of the system has been improved by optimizing the accelerating potential and inserting a magnetic lens after the extraction region. The isotopes of lithium, lead and cadmium samples have been resolved and detected in accordance with their natural abundance. The capability of the system has been further exploited to determine the elemental composition of a brass alloy, having a certified composition of zinc and copper. Our results are in excellent agreement with its certified composition. This setup is found to be extremely efficient and convenient for fast analyses of any solid sample.

Maximum-Entropy Models of Sequenced Immune Repertoires Predict Antigen-Antibody Affinity.

Directory of Open Access Journals (Sweden)

Lorenzo Asti

2016-04-01

Full Text Available The immune system has developed a number of distinct complex mechanisms to shape and control the antibody repertoire. One of these mechanisms, the affinity maturation process, works in an evolutionary-like fashion: after binding to a foreign molecule, the antibody-producing B-cells exhibit a high-frequency mutation rate in the genome region that codes for the antibody active site. Eventually, cells that produce antibodies with higher affinity for their cognate antigen are selected and clonally expanded. Here, we propose a new statistical approach based on maximum entropy modeling in which a scoring function related to the binding affinity of antibodies against a specific antigen is inferred from a sample of sequences of the immune repertoire of an individual. We use our inference strategy to infer a statistical model on a data set obtained by sequencing a fairly large portion of the immune repertoire of an HIV-1 infected patient. The Pearson correlation coefficient between our scoring function and the IC50 neutralization titer measured on 30 different antibodies of known sequence is as high as 0.77 (p-value 10-6, outperforming other sequence- and structure-based models.

Continuous affine processes

DEFF Research Database (Denmark)

Buchardt, Kristian

2016-01-01

Affine processes possess the property that expectations of exponential affine transformations are given by a set of Riccati differential equations, which is the main feature of this popular class of processes. In this paper we generalise these results for expectations of more general transformati...

Identification of Protein Complexes from Tandem Affinity Purification/Mass Spectrometry Data via Biased Random Walk.

Science.gov (United States)

Cai, Bingjing; Wang, Haiying; Zheng, Huiru; Wang, Hui

2015-01-01

Systematic identification of protein complexes from protein-protein interaction networks (PPIs) is an important application of data mining in life science. Over the past decades, various new clustering techniques have been developed based on modelling PPIs as binary relations. Non-binary information of co-complex relations (prey/bait) in PPIs data derived from tandem affinity purification/mass spectrometry (TAP-MS) experiments has been unfairly disregarded. In this paper, we propose a Biased Random Walk based algorithm for detecting protein complexes from TAP-MS data, resulting in the random walk with restarting baits (RWRB). RWRB is developed based on Random walk with restart. The main contribution of RWRB is the incorporation of co-complex relations in TAP-MS PPI networks into the clustering process, by implementing a new restarting strategy during the process of random walk. Through experimentation on un-weighted and weighted TAP-MS data sets, we validated biological significance of our results by mapping them to manually curated complexes. Results showed that, by incorporating non-binary, co-membership information, significant improvement has been achieved in terms of both statistical measurements and biological relevance. Better accuracy demonstrates that the proposed method outperformed several state-of-the-art clustering algorithms for the detection of protein complexes in TAP-MS data.

Tests of a 3D Self Magnetic Field Solver in the Finite Element Gun Code MICHELLE

CERN Document Server

Nelson, Eric M

2005-01-01

We have recently implemented a prototype 3d self magnetic field solver in the finite-element gun code MICHELLE. The new solver computes the magnetic vector potential on unstructured grids. The solver employs edge basis functions in the curl-curl formulation of the finite-element method. A novel current accumulation algorithm takes advantage of the unstructured grid particle tracker to produce a compatible source vector, for which the singular matrix equation is easily solved by the conjugate gradient method. We will present some test cases demonstrating the capabilities of the prototype 3d self magnetic field solver. One test case is self magnetic field in a square drift tube. Another is a relativistic axisymmetric beam freely expanding in a round pipe.

Affinity in electrophoresis.

Science.gov (United States)

Heegaard, Niels H H

2009-06-01

The journal Electrophoresis has greatly influenced my approaches to biomolecular affinity studies. The methods that I have chosen as my main tools to study interacting biomolecules--native gel and later capillary zone electrophoresis--have been the topic of numerous articles in Electrophoresis. Below, the role of the journal in the development and dissemination of these techniques and applications reviewed. Many exhaustive reviews on affinity electrophoresis and affinity CE have been published in the last few years and are not in any way replaced by the present deliberations that are focused on papers published by the journal.

Direct analysis of samples by mass spectrometry: From elements to bio-molecules using laser ablation inductively couple plasma mass spectrometry and laser desorption/ionization mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Perdian, David C. [Iowa State Univ., Ames, IA (United States)

2009-01-01

Mass spectrometric methods that are able to analyze solid samples or biological materials with little or no sample preparation are invaluable to science as well as society. Fundamental research that has discovered experimental and instrumental parameters that inhibit fractionation effects that occur during the quantification of elemental species in solid samples by laser ablation inductively coupled plasma mass spectrometry is described. Research that determines the effectiveness of novel laser desorption/ionization mass spectrometric methods for the molecular analysis of biological tissues at atmospheric pressure and at high spatial resolution is also described. A spatial resolution is achieved that is able to analyze samples at the single cell level.

PYRO: New capability for isotopic mass tracking in pyroprocess simulation

International Nuclear Information System (INIS)

Liaw, J.R.; Ackerman, J.P.

1990-01-01

A new computational code package called PYRO has been developed to support the IFR fuel recycle demonstration project in the HFEF/S facility at ANL-W. The basic pyrochemical code PYRO1-1 models the atomic mass flows and phase compositions of 48 essential chemical elements involved in the pyroprocess. It has been extended to PYRO1-2 by linking with the ORIGEN code to track more than 1000 isotopic species, their radioactive decays, and related phenomena. This paper first describes the pyroprocess to be modeled and the pyrochemical capability that has been implemented in PYRO1-1, and then gives a full account on the algorithm of extending it to PYRO1-2 for isotopic mass tracking. Results from several scoping and simulation runs will be discussed to illustrate the significance of modeling in-process radioactive decays. 16 refs., 8 figs., 2 tabs

Affinity isolation and I-DIRT mass spectrometric analysis of the Escherichia coli O157:H7 Sakai RNA polymerase complex.

Science.gov (United States)

Lee, David J; Busby, Stephen J W; Westblade, Lars F; Chait, Brian T

2008-02-01

Bacteria contain a single multisubunit RNA polymerase that is responsible for the synthesis of all RNA. Previous studies of the Escherichia coli K-12 laboratory strain identified a group of effector proteins that interact directly with RNA polymerase to modulate the efficiency of transcription initiation, elongation, or termination. Here we used a rapid affinity isolation technique to isolate RNA polymerase from the pathogenic Escherichia coli strain O157:H7 Sakai. We analyzed the RNA polymerase enzyme complex using mass spectrometry and identified associated proteins. Although E. coli O157:H7 Sakai contains more than 1,600 genes not present in the K-12 strain, many of which are predicted to be involved in transcription regulation, all of the identified proteins in this study were encoded on the "core" E. coli genome.

Introduction of polycrystal constitutive laws in a finite element code with applications to zirconium forming

International Nuclear Information System (INIS)

Maudlin, P.J.; Tome, C.N.; Kaschner, G.C.; Gray, G.T. III

1998-01-01

In this work the authors simulate the compressive deformation of heavily textured zirconium sheet using a finite element code with the constitutive response given by a polycrystal self-consistent model. They show that the strong anisotropy of the response can be explained in terms of the texture and the relative activity of prismatic (easy) and pyramidal (hard) slip modes. The simulations capture the yield anisotropy observed for so-called through-thickness and in-plane compression tests in terMs of the loading curves and final specimen geometries

Elemental ABAREX -- a user's manual

International Nuclear Information System (INIS)

Smith, A.B.

1999-01-01

ELEMENTAL ABAREX is an extended version of the spherical optical-statistical model code ABAREX, designed for the interpretation of neutron interactions with elemental targets consisting of up to ten isotopes. The contributions from each of the isotopes of the element are explicitly dealt with, and combined for comparison with the elemental observables. Calculations and statistical fitting of experimental data are considered. The code is written in FORTRAN-77 and arranged for use on the IBM-compatible personal computer (PC), but it should operate effectively on a number of other systems, particularly VAX/VMS and IBM work stations. Effort is taken to make the code user friendly. With this document a reasonably skilled individual should become fluent with the use of the code in a brief period of time

The metric-affine gravitational theory as the gauge theory of the affine group

International Nuclear Information System (INIS)

Lord, E.A.

1978-01-01

The metric-affine gravitational theory is shown to be the gauge theory of the affine group, or equivalently, the gauge theory of the group GL(4,R) of tetrad deformations in a space-time with a locally Minkowskian metric. The identities of the metric-affine theory, and the relationship between them and those of general relativity and Sciama-Kibble theory, are derived. (Auth.)

Elemental labelling combined with liquid chromatography inductively coupled plasma mass spectrometry for quantification of biomolecules: A review

International Nuclear Information System (INIS)

Kretschy, Daniela; Koellensperger, Gunda; Hann, Stephan

2012-01-01

Highlights: ► Survey of bio-analytical approaches utilizing biomolecule labelling. ► Detailed discussion of methodology and chemistry of elemental labelling. ► Biomedical and bio-analytical applications of elemental labelling. ► FI-ICP-MS and LC–ICP-MS for quantification of elemental labelled biomolecules. ► Review of selected applications. - Abstract: This article reviews novel quantification concepts where elemental labelling is combined with flow injection inductively coupled plasma mass spectrometry (FI-ICP-MS) or liquid chromatography inductively coupled plasma mass spectrometry (LC–ICP-MS), and employed for quantification of biomolecules such as proteins, peptides and related molecules in challenging sample matrices. In the first sections an overview on general aspects of biomolecule quantification, as well as of labelling will be presented emphasizing the potential, which lies in such methodological approaches. In this context, ICP-MS as detector provides high sensitivity, selectivity and robustness in biological samples and offers the capability for multiplexing and isotope dilution mass spectrometry (IDMS). Fundamental methodology of elemental labelling will be highlighted and analytical, as well as biomedical applications will be presented. A special focus will lie on established applications underlining benefits and bottlenecks of such approaches for the implementation in real life analysis. Key research made in this field will be summarized and a perspective for future developments including sophisticated and innovative applications will given.

Writing analytic element programs in Python.

Science.gov (United States)

Bakker, Mark; Kelson, Victor A

2009-01-01

The analytic element method is a mesh-free approach for modeling ground water flow at both the local and the regional scale. With the advent of the Python object-oriented programming language, it has become relatively easy to write analytic element programs. In this article, an introduction is given of the basic principles of the analytic element method and of the Python programming language. A simple, yet flexible, object-oriented design is presented for analytic element codes using multiple inheritance. New types of analytic elements may be added without the need for any changes in the existing part of the code. The presented code may be used to model flow to wells (with either a specified discharge or drawdown) and streams (with a specified head). The code may be extended by any hydrogeologist with a healthy appetite for writing computer code to solve more complicated ground water flow problems. Copyright © 2009 The Author(s). Journal Compilation © 2009 National Ground Water Association.

Higher-order momentum distributions and locally affine LDDMM registration

DEFF Research Database (Denmark)

Sommer, Stefan Horst; Nielsen, Mads; Darkner, Sune

2013-01-01

description of affine transformations and subsequent compact description of non-translational movement in a globally nonrigid deformation. The resulting representation contains directly interpretable information from both mathematical and modeling perspectives. We develop the mathematical construction......To achieve sparse parametrizations that allow intuitive analysis, we aim to represent deformation with a basis containing interpretable elements, and we wish to use elements that have the description capacity to represent the deformation compactly. To accomplish this, we introduce in this paper...... higher-order momentum distributions in the large deformation diffeomorphic metric mapping (LDDMM) registration framework. While the zeroth-order moments previously used in LDDMM only describe local displacement, the first-order momenta that are proposed here represent a basis that allows local...

Verification of the MOTIF code version 3.0

International Nuclear Information System (INIS)

Chan, T.; Guvanasen, V.; Nakka, B.W.; Reid, J.A.K.; Scheier, N.W.; Stanchell, F.W.

1996-12-01

As part of the Canadian Nuclear Fuel Waste Management Program (CNFWMP), AECL has developed a three-dimensional finite-element code, MOTIF (Model Of Transport In Fractured/ porous media), for detailed modelling of groundwater flow, heat transport and solute transport in a fractured rock mass. The code solves the transient and steady-state equations of groundwater flow, solute (including one-species radionuclide) transport, and heat transport in variably saturated fractured/porous media. The initial development was completed in 1985 (Guvanasen 1985) and version 3.0 was completed in 1986. This version is documented in detail in Guvanasen and Chan (in preparation). This report describes a series of fourteen verification cases which has been used to test the numerical solution techniques and coding of MOTIF, as well as demonstrate some of the MOTIF analysis capabilities. For each case the MOTIF solution has been compared with a corresponding analytical or independently developed alternate numerical solution. Several of the verification cases were included in Level 1 of the International Hydrologic Code Intercomparison Project (HYDROCOIN). The MOTIF results for these cases were also described in the HYDROCOIN Secretariat's compilation and comparison of results submitted by the various project teams (Swedish Nuclear Power Inspectorate 1988). It is evident from the graphical comparisons presented that the MOTIF solutions for the fourteen verification cases are generally in excellent agreement with known analytical or numerical solutions obtained from independent sources. This series of verification studies has established the ability of the MOTIF finite-element code to accurately model the groundwater flow and solute and heat transport phenomena for which it is intended. (author). 20 refs., 14 tabs., 32 figs

Improvements, verifications and validations of the BOW code

International Nuclear Information System (INIS)

Yu, S.D.; Tayal, M.; Singh, P.N.

1995-01-01

The BOW code calculates the lateral deflections of a fuel element consisting of sheath and pellets, due to temperature gradients, hydraulic drag and gravity. the fuel element is subjected to restraint from endplates, neighboring fuel elements and the pressure tube. Many new features have been added to the BOW code since its original release in 1985. This paper outlines the major improvements made to the code and verification/validation results. (author)

Implementation of second moment closure turbulence model for incompressible flows in the industrial finite element code N3S

International Nuclear Information System (INIS)

Pot, G.; Laurence, D.; Rharif, N.E.; Leal de Sousa, L.; Compe, C.

1995-12-01

This paper deals with the introduction of a second moment closure turbulence model (Reynolds Stress Model) in an industrial finite element code, N3S, developed at Electricite de France.The numerical implementation of the model in N3S will be detailed in 2D and 3D. Some details are given concerning finite element computations and solvers. Then, some results will be given, including a comparison between standard k-ε model, R.S.M. model and experimental data for some test case. (authors). 22 refs., 3 figs

In vitro evolution and affinity-maturation with Coliphage qβ display.

Directory of Open Access Journals (Sweden)

Claudia Skamel

Full Text Available The Escherichia coli bacteriophage, Qβ (Coliphage Qβ, offers a favorable alternative to M13 for in vitro evolution of displayed peptides and proteins due to high mutagenesis rates in Qβ RNA replication that better simulate the affinity maturation processes of the immune response. We describe a benchtop in vitro evolution system using Qβ display of the VP1 G-H loop peptide of foot-and-mouth disease virus (FMDV. DNA encoding the G-H loop was fused to the A1 minor coat protein of Qβ resulting in a replication-competent hybrid phage that efficiently displayed the FMDV peptide. The surface-localized FMDV VP1 G-H loop cross-reacted with the anti-FMDV monoclonal antibody (mAb SD6 and was found to decorate the corners of the Qβ icosahedral shell by electron microscopy. Evolution of Qβ-displayed peptides, starting from fully degenerate coding sequences corresponding to the immunodominant region of VP1, allowed rapid in vitro affinity maturation to SD6 mAb. Qβ selected under evolutionary pressure revealed a non-canonical, but essential epitope for mAb SD6 recognition consisting of an Arg-Gly tandem pair. Finally, the selected hybrid phages induced polyclonal antibodies in guinea pigs with good affinity to both FMDV and hybrid Qβ-G-H loop, validating the requirement of the tandem pair epitope. Qβ-display emerges as a novel framework for rapid in vitro evolution with affinity-maturation to molecular targets.

A Generalized Affine Isoperimetric Inequality

OpenAIRE

Chen, Wenxiong; Howard, Ralph; Lutwak, Erwin; Yang, Deane; Zhang, Gaoyong

2004-01-01

A purely analytic proof is given for an inequality that has as a direct consequence the two most important affine isoperimetric inequalities of plane convex geometry: The Blaschke-Santalo inequality and the affine isoperimetric inequality of affine differential geometry.

Stiffness and Mass Matrices of FEM-Applicable Dynamic Infinite Element with Unified Shape Basis

International Nuclear Information System (INIS)

Kazakov, Konstantin

2009-01-01

This paper is devoted to the construction and evaluation of mass and stiffness matrices of elastodynamic four and five node infinite elements with unified shape functions (EIEUSF), recently proposed by the author. Such elements can be treated as a family of elastodynamic infinite elements appropriate for multi-wave soil-structure interaction problems. The common characteristic of the proposed infinite elements is the so-called unified shape function, based on finite number of wave shape functions. The idea and the construction of the unified shape basis are described in brief. This element belongs to the decay class of infinite elements. It is shown that by appropriate mapping functions the formulation of such an element can be easily transformed to a mapped form. The results obtained using the proposed infinite elements are in a good agreement with the superposed results obtained by a series of standard computational models. The continuity along the finite/infinite element line (artificial boundary) in two-dimensional substructure models is also discussed in brief. In this type of computational models such a line marks the artificial boundary between the near and the far field of the model.

The S-Matrix coupling dependence for a, d and e affine Toda field theory

International Nuclear Information System (INIS)

Braden, H.W.; Sasaki, R.

1990-09-01

Affine Toda field theories are solvable 1+1 dimensional quantum field theories closely related to integrable deformations of conformal field theory. The S-Matrix elements for an affine Toda field theory are known to depend on the coupling constant β through one universal function B(β) which cannot be determined by unitarity, crossing and the bootstrap. From the requirement of nonexistence of extra poles in the physical region its form is conjectured to be B(β) = (2π) -1 ·β 2 /((1+β 2 )/4π). We show that the above conjecture is correct up to one loop order (i.e., β 4 ) of perturbation for simply laced, i.e., a, d and e affine Toda field theories using a general argument which exhibits much of the richness of these theories. (author)

Fatty acid and drug binding to a low-affinity component of human serum albumin, purified by affinity chromatography

DEFF Research Database (Denmark)

Vorum, H; Pedersen, A O; Honoré, B

1992-01-01

Binding equilibria for decanoate to a defatted, commercially available human serum albumin preparation were investigated by dialysis exchange rate determinations. The binding isotherm could not be fitted by the general binding equation. It was necessary to assume that the preparation was a mixture...... of two albumin components about 40% of the albumin having high affinity and about 60% having low affinity. By affinity chromatography we succeeded in purifying the low-affinity component from the mixture. The high-affinity component, however, could not be isolated. We further analyzed the fatty acid...... and drug binding abilities of the low-affinity component. The fatty acids decanoate, laurate, myristate and palmitate were bound with higher affinity to the mixture than to the low-affinity component. Diazepam was bound with nearly the same affinity to the low-affinity component as to the albumin mixture...

FEMAXI-III. An axisymmetric finite element computer code for the analysis of fuel rod performance

International Nuclear Information System (INIS)

Ichikawa, M.; Nakajima, T.; Okubo, T.; Iwano, Y.; Ito, K.; Kashima, K.; Saito, H.

1980-01-01

For the analysis of local deformation of fuel rods, which is closely related to PCI failure in LWR, FEMAXI-III has been developed as an improved version based on the essential models of FEMAXI-II, MIPAC, and FEAST codes. The major features of FEMAXI-III are as follows: Elasto-plasticity, creep, pellet cracking, relocation, densification, hot pressing, swelling, fission gas release, and their interrelated effects are considered. Contact conditions between pellet and cladding are exactly treated, where sliding or sticking is defined by iterations. Special emphasis is placed on creep and pellet cracking. In the former, an implicit algorithm is applied to improve numerical stability. In the latter, the pellet is assumed to be non-tension material. The recovery of pellet stiffness under compression is related to initial relocation. Quadratic isoparametric elements are used. The skyline method is applied to solve linear stiffness equation to reduce required core memories. The basic performance of the code has been proven to be satisfactory. (author)

Measurement of the top quark mass in the dilepton final state using the matrix element method

Energy Technology Data Exchange (ETDEWEB)

Grohsjean, Alexander [Ludwig Maximilian Univ., Munich (Germany)

2008-12-15

The top quark, discovered in 1995 by the CDF and D0 experiments at the Fermilab Tevatron Collider, is the heaviest known fundamental particle. The precise knowledge of its mass yields important constraints on the mass of the yet-unobserved Higgs boson and allows to probe for physics beyond the Standard Model. The first measurement of the top quark mass in the dilepton channel with the Matrix Element method at the D0 experiment is presented. After a short description of the experimental environment and the reconstruction chain from hits in the detector to physical objects, a detailed review of the Matrix Element method is given. The Matrix Element method is based on the likelihood to observe a given event under the assumption of the quantity to be measured, e.g. the mass of the top quark. The method has undergone significant modifications and improvements compared to previous measurements in the lepton+jets channel: the two undetected neutrinos require a new reconstruction scheme for the four-momenta of the final state particles, the small event sample demands the modeling of additional jets in the signal likelihood, and a new likelihood is designed to account for the main source of background containing tauonic Z decay. The Matrix Element method is validated on Monte Carlo simulated events at the generator level. For the measurement, calibration curves are derived from events that are run through the full D0 detector simulation. The analysis makes use of the Run II data set recorded between April 2002 and May 2008 corresponding to an integrated luminosity of 2.8 fb^-1. A total of 107 t$\\bar{t}$ candidate events with one electron and one muon in the final state are selected. Applying the Matrix Element method to this data set, the top quark mass is measured to be m_top^{Run IIa} = 170.6 ± 6.1(stat.)_-1.5^+2.1(syst.)GeV; m_top^{Run IIb} = 174.1 ± 4.4(stat.)_-1.8^+2.5(syst.)GeV; m

Determination of impurity elements in steel by spark source mass spectrometry using powdered salts

International Nuclear Information System (INIS)

Saito, Morimasa; Sudo, Emiko

1975-01-01

Determination of impurity elements in steel by speak source mass spectrometry using powdered salts sample electrode was studied. The instrument used in this study was an AEI MS-7 mass spectrograph and the ion detector was Ilford Q2 photograph. Sample, (0.5--1) gram, was dissolved in hydrochloric acid (1 : 1) or nitric acid (1 : 1) together with yttrium of 1 microgram as the internal standard and then the solution was evaporated to dryness without baking. The salt residues were dried at 70 0 C for 30 minutes under vacuum. They were mixed with an equal amount of graphite powder for 5 minutes in a mixer mill, and then pressed into electrodes. When the relative sensitivity coefficient (Fe=1) was determined by using NBS 460 series standard samples, the results obtained by the proposed method for elements of Mo, Sn, Cu, Cr, Co, Ni, Mn, V, P, Si, and B were in good agreement with those obtained by the conventional method using solid sample electrodes (the solid method) and the precision of this method for 11 elements mentioned above was about 10% better than those of the solid method. However, both the accuracy and precision for elements of Nb, Ti, S and W were not good. This method was applied to the determination of impurities in NBS stainless steel and others. The relative standard deviations were within 20%. (auth.)

Nucleon scalar matrix elements with N{sub f}=2+1+1 twisted mass fermions

Energy Technology Data Exchange (ETDEWEB)

Dinter, Simon; Drach, Vincent; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

2011-12-15

We investigate scalar matrix elements of the nucleon using N{sub f}=2+1+1 flavors of maximally twisted mass fermions at a fixed value of the lattice spacing of a{approx}0.078 fm. We compute disconnected contributions to the relevant three-point functions using an efficient noise reduction technique. Using these methods together with an only multiplicative renormalization applicable for twisted mass fermions, allows us to obtain accurate results in the light and strange sector. (orig.)

Determination of rare earth elements in high purity rare earth oxides by liquid chromatography, thermionic mass spectrometry and combined liquid chromatography/thermionic mass spectrometry

International Nuclear Information System (INIS)

Stijfhoorn, D.E.; Stray, H.; Hjelmseth, H.

1993-01-01

A high-performance liquid chromatographic (HPLC) method for the determination of rare earth elements in rocks has been modified and used for the determination of rare earth elements (REE) in high purity rare earth oxides. The detection limit was 1-1.5 ng or 2-3 mg/kg when a solution corresponding to 0.5 mg of the rare earth oxide was injected. The REE determination was also carried out by adding a mixture of selected REE isotopes to the sample and analysing the collected HPLC-fractions by mass spectrometry (MS) using a thermionic source. Since the matrix element was not collected, interference from this element during the mass spectrometric analysis was avoided. Detection limits as low as 0.5 mg/kg could then be obtained. Detection limits as low as 0.05 mg/kg were possible by MS without HPLC-pre-separation, but this approach could only be used for those elements that were not affected by the matrix. Commercial samples of high purity Nd 2 O 3 , Gd 2 O 3 and Dy 2 O 3 were analysed in this study, and a comparison of results obtained by HPLC, combined HPLC/MS and direct MS is presented. (Author)

Code Cactus; Code Cactus

Energy Technology Data Exchange (ETDEWEB)

Fajeau, M; Nguyen, L T; Saunier, J [Commissariat a l' Energie Atomique, Centre d' Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France)

1966-09-01

This code handles the following problems: -1) Analysis of thermal experiments on a water loop at high or low pressure; steady state or transient behavior; -2) Analysis of thermal and hydrodynamic behavior of water-cooled and moderated reactors, at either high or low pressure, with boiling permitted; fuel elements are assumed to be flat plates: - Flowrate in parallel channels coupled or not by conduction across plates, with conditions of pressure drops or flowrate, variable or not with respect to time is given; the power can be coupled to reactor kinetics calculation or supplied by the code user. The code, containing a schematic representation of safety rod behavior, is a one dimensional, multi-channel code, and has as its complement (FLID), a one-channel, two-dimensional code. (authors) [French] Ce code permet de traiter les problemes ci-dessous: 1. Depouillement d'essais thermiques sur boucle a eau, haute ou basse pression, en regime permanent ou transitoire; 2. Etudes thermiques et hydrauliques de reacteurs a eau, a plaques, a haute ou basse pression, ebullition permise: - repartition entre canaux paralleles, couples on non par conduction a travers plaques, pour des conditions de debit ou de pertes de charge imposees, variables ou non dans le temps; - la puissance peut etre couplee a la neutronique et une representation schematique des actions de securite est prevue. Ce code (Cactus) a une dimension d'espace et plusieurs canaux, a pour complement Flid qui traite l'etude d'un seul canal a deux dimensions. (auteurs)

Lp-mixed affine surface area

Science.gov (United States)

Wang, Weidong; Leng, Gangsong

2007-11-01

According to the three notions of mixed affine surface area, Lp-affine surface area and Lp-mixed affine surface area proposed by Lutwak, in this article, we give the concept of ith Lp-mixed affine surface area such that the first and second notions of Lutwak are its special cases. Further, some Lutwak's results are extended associated with this concept. Besides, applying this concept, we establish an inequality for the volumes and dual quermassintegrals of a class of star bodies.

Development of a computer code 'CRACK' for elastic and elastoplastic fracture mechanics analysis of 2-D structures by finite element technique

International Nuclear Information System (INIS)

Dutta, B.K.; Kakodkar, A.; Maiti, S.K.

1986-01-01

The fracture mechanics analysis of nuclear components is required to ensure prevention of sudden failure due to dynamic loadings. The linear elastic analysis near to a crack tip shows presence of stress singularity at the crack tip. The simulation of this singularity in numerical methods enhance covergence capability. In finite element technique this can be achieved by placing mid nodes of 8 noded or 6 noded isoparametric elements, at one fourth ditance from crack tip. Present report details this characteristic of finite element, implementation of this element in a code 'CRACK', implementation of J-integral to compute stress intensity factor and solution of number of cases for elastic and elastoplastic fracture mechanics analysis. 6 refs., 6 figures. (author)

Affinity Isolation and I-DIRT Mass Spectrometric Analysis of the Escherichia coli O157:H7 Sakai RNA Polymerase Complex▿

Science.gov (United States)

Lee, David J.; Busby, Stephen J. W.; Westblade, Lars F.; Chait, Brian T.

2008-01-01

Bacteria contain a single multisubunit RNA polymerase that is responsible for the synthesis of all RNA. Previous studies of the Escherichia coli K-12 laboratory strain identified a group of effector proteins that interact directly with RNA polymerase to modulate the efficiency of transcription initiation, elongation, or termination. Here we used a rapid affinity isolation technique to isolate RNA polymerase from the pathogenic Escherichia coli strain O157:H7 Sakai. We analyzed the RNA polymerase enzyme complex using mass spectrometry and identified associated proteins. Although E. coli O157:H7 Sakai contains more than 1,600 genes not present in the K-12 strain, many of which are predicted to be involved in transcription regulation, all of the identified proteins in this study were encoded on the “core” E. coli genome. PMID:18083804

Double Beta Decay and Neutrino Masses Accuracy of the Nuclear Matrix Elements

International Nuclear Information System (INIS)

Faessler, Amand

2005-01-01

The neutrinoless double beta decay is forbidden in the standard model of the electroweak and strong interaction but allowed in most Grand Unified Theories (GUT's). Only if the neutrino is a Majorana particle (identical with its antiparticle) and if it has a mass, the neutrinoless double beta decay is allowed. Apart of one claim that the neutrinoless double beta decay in 76 Ge is measured, one has only upper limits for this transition probability. But even the upper limits allow to give upper limits for the electron Majorana neutrino mass and upper limits for parameters of GUT's and the minimal R-parity violating supersymmetric model. One further can give lower limits for the vector boson mediating mainly the right-handed weak interaction and the heavy mainly right-handed Majorana neutrino in left-right symmetric GUT's. For that one has to assume that the specific mechanism is the leading one for the neutrinoless double beta decay and one has to be able to calculate reliably the corresponding nuclear matrix elements. In the present contribution, one discusses the accuracy of the present status of calculating the nuclear matrix elements and the corresponding limits of GUT's and supersymmetric parameters

On the elemental analysis of different cigarette brands using laser induced breakdown spectroscopy and laser-ablation time of flight mass spectrometry

Science.gov (United States)

Ahmed, Nasar; Umar, Zeshan A.; Ahmed, Rizwan; Aslam Baig, M.

2017-10-01

We present qualitative and quantitative analysis of the trace elements present in different brands of tobacco available in Pakistan using laser induced breakdown spectroscopy (LIBS) and Laser ablation Time of Flight Mass Spectrometer (LA-TOFMS). The compositional analysis using the calibration free LIBS technique is based on the observed emission spectra of the laser produced plasma plume whereas the elemental composition analysis using LA-TOFMS is based on the mass spectra of the ions produced by laser ablation. The optical emission spectra of these samples contain spectral lines of calcium, magnesium, sodium, potassium, silicon, strontium, barium, lithium and aluminum with varying intensities. The corresponding mass spectra of the elements were detected in LA-TOF-MS with their composition concentration. The analysis of different brands of cigarettes demonstrates that LIBS coupled with a LA-TOF-MS is a powerful technique for the elemental analysis of the trace elements in any solid sample.

Monte Carlo method implemented in a finite element code with application to dynamic vacuum in particle accelerators

CERN Document Server

Garion, C

2009-01-01

Modern particle accelerators require UHV conditions during their operation. In the accelerating cavities, breakdowns can occur, releasing large amount of gas into the vacuum chamber. To determine the pressure profile along the cavity as a function of time, the time-dependent behaviour of the gas has to be simulated. To do that, it is useful to apply accurate three-dimensional method, such as Test Particles Monte Carlo. In this paper, a time-dependent Test Particles Monte Carlo is used. It has been implemented in a Finite Element code, CASTEM. The principle is to track a sample of molecules during time. The complex geometry of the cavities can be created either in the FE code or in a CAD software (CATIA in our case). The interface between the two softwares to export the geometry from CATIA to CASTEM is given. The algorithm of particle tracking for collisionless flow in the FE code is shown. Thermal outgassing, pumping surfaces and electron and/or ion stimulated desorption can all be generated as well as differ...

A Kinetic Model Explains Why Shorter and Less Affine Enzyme-recruiting Oligonucleotides Can Be More Potent

Directory of Open Access Journals (Sweden)

Lykke Pedersen

2014-01-01

Full Text Available Antisense oligonucleotides complementary to RNA targets promise generality and ease of drug design. The first systemically administered antisense drug was recently approved for treatment and others are in clinical development. Chemical modifications that increase the hybridization affinity of oligonucleotides are reasoned to confer higher potency, i.e., modified oligonucleotides can be dosed at lower concentrations to achieve the same effect. Surprisingly, shorter and less affine oligonucleotides sometimes display increased potency. To explain this apparent contradiction, increased uptake or decreased propensity to form structures have been suggested as possible mechanisms. Here, we provide an alternative explanation that invokes only the kinetics behind oligonucleotide-mediated cleavage of RNA targets. A model based on the law of mass action predicts, and experiments support, the existence of an optimal binding affinity. Exaggerated affinity, and not length per se, is detrimental to potency. This finding clarifies how to optimally apply high-affinity modifications in the discovery of potent antisense oligonucleotide drugs.

The measurements of critical mass with uranium fuel elements and thorium rods

International Nuclear Information System (INIS)

Yao Zhiquan; Chen Zhicheng; Yao Zewu; Ji Huaxiang; Bao Borong; Zhang Jiahua

1991-01-01

The critical experiments with uranium elements and Thorium rods have been performed in zero power reactor at Shanghai Institute of Nuclear Research. The critical masses have been measured in various U/Th ratios. The fuels are 3% 235 U-enriched uranium. The Thorium rods are made from power of ThF 4 . Ratios of calculated values to experimental values are nearly constant at 0.995

Analysis of Biological Interactions by Affinity Chromatography: Clinical and Pharmaceutical Applications.

Science.gov (United States)

Hage, David S

2017-06-01

The interactions between biochemical and chemical agents in the body are important in many clinical processes. Affinity chromatography and high-performance affinity chromatography (HPAC), in which a column contains an immobilized biologically related binding agent, are 2 methods that can be used to study these interactions. This review presents various approaches that can be used in affinity chromatography and HPAC to characterize the strength or rate of a biological interaction, the number and types of sites that are involved in this process, and the interactions between multiple solutes for the same binding agent. A number of applications for these methods are examined, with an emphasis on recent developments and high-performance affinity methods. These applications include the use of these techniques for fundamental studies of biological interactions, high-throughput screening of drugs, work with modified proteins, tools for personalized medicine, and studies of drug-drug competition for a common binding agent. The wide range of formats and detection methods that can be used with affinity chromatography and HPAC for examining biological interactions makes these tools attractive for various clinical and pharmaceutical applications. Future directions in the development of small-scale columns and the coupling of these methods with other techniques, such as mass spectrometry or other separation methods, should continue to increase the flexibility and ease with which these approaches can be used in work involving clinical or pharmaceutical samples. © 2016 American Association for Clinical Chemistry.

Affinity purification mass spectrometry analysis of PD-1 uncovers SAP as a new checkpoint inhibitor.

Science.gov (United States)

Peled, Michael; Tocheva, Anna S; Sandigursky, Sabina; Nayak, Shruti; Philips, Elliot A; Nichols, Kim E; Strazza, Marianne; Azoulay-Alfaguter, Inbar; Askenazi, Manor; Neel, Benjamin G; Pelzek, Adam J; Ueberheide, Beatrix; Mor, Adam

2018-01-16

Programmed cell death-1 (PD-1) is an essential inhibitory receptor in T cells. Antibodies targeting PD-1 elicit durable clinical responses in patients with multiple tumor indications. Nevertheless, a significant proportion of patients do not respond to anti-PD-1 treatment, and a better understanding of the signaling pathways downstream of PD-1 could provide biomarkers for those whose tumors respond and new therapeutic approaches for those whose tumors do not. We used affinity purification mass spectrometry to uncover multiple proteins associated with PD-1. Among these proteins, signaling lymphocytic activation molecule-associated protein (SAP) was functionally and mechanistically analyzed for its contribution to PD-1 inhibitory responses. Silencing of SAP augmented and overexpression blocked PD-1 function. T cells from patients with X-linked lymphoproliferative disease (XLP), who lack functional SAP, were hyperresponsive to PD-1 signaling, confirming its inhibitory role downstream of PD-1. Strikingly, signaling downstream of PD-1 in purified T cell subsets did not correlate with PD-1 surface expression but was inversely correlated with intracellular SAP levels. Mechanistically, SAP opposed PD-1 function by acting as a molecular shield of key tyrosine residues that are targets for the tyrosine phosphatase SHP2, which mediates PD-1 inhibitory properties. Our results identify SAP as an inhibitor of PD-1 function and SHP2 as a potential therapeutic target in patients with XLP.

Computer modelling of the WWER fuel elements under high burnup conditions by the computer codes PIN-W and RODQ2D

Energy Technology Data Exchange (ETDEWEB)

Valach, M; Zymak, J; Svoboda, R [Nuclear Research Inst. Rez plc, Rez (Czech Republic)

1997-08-01

This paper presents the development status of the computer codes for the WWER fuel elements thermomechanical behavior modelling under high burnup conditions at the Nuclear Research Institute Rez. The accent is given on the analysis of the results from the parametric calculations, performed by the programmes PIN-W and RODQ2D, rather than on their detailed theoretical description. Several new optional correlations for the UO2 thermal conductivity with degradation effect caused by burnup were implemented into the both codes. Examples of performed calculations document differences between previous and new versions of both programmes. Some recommendations for further development of the codes are given in conclusion. (author). 6 refs, 9 figs.

Computer modelling of the WWER fuel elements under high burnup conditions by the computer codes PIN-W and RODQ2D

International Nuclear Information System (INIS)

Valach, M.; Zymak, J.; Svoboda, R.

1997-01-01

This paper presents the development status of the computer codes for the WWER fuel elements thermomechanical behavior modelling under high burnup conditions at the Nuclear Research Institute Rez. The accent is given on the analysis of the results from the parametric calculations, performed by the programmes PIN-W and RODQ2D, rather than on their detailed theoretical description. Several new optional correlations for the UO2 thermal conductivity with degradation effect caused by burnup were implemented into the both codes. Examples of performed calculations document differences between previous and new versions of both programmes. Some recommendations for further development of the codes are given in conclusion. (author). 6 refs, 9 figs

Modelling the attenuation in the ATHENA finite elements code for the ultrasonic testing of austenitic stainless steel welds.

Science.gov (United States)

Chassignole, B; Duwig, V; Ploix, M-A; Guy, P; El Guerjouma, R

2009-12-01

Multipass welds made in austenitic stainless steel, in the primary circuit of nuclear power plants with pressurized water reactors, are characterized by an anisotropic and heterogeneous structure that disturbs the ultrasonic propagation and makes ultrasonic non-destructive testing difficult. The ATHENA 2D finite element simulation code was developed to help understand the various physical phenomena at play. In this paper, we shall describe the attenuation model implemented in this code to give an account of wave scattering phenomenon through polycrystalline materials. This model is in particular based on the optimization of two tensors that characterize this material on the basis of experimental values of ultrasonic velocities attenuation coefficients. Three experimental configurations, two of which are representative of the industrial welds assessment case, are studied in view of validating the model through comparison with the simulation results. We shall thus provide a quantitative proof that taking into account the attenuation in the ATHENA code dramatically improves the results in terms of the amplitude of the echoes. The association of the code and detailed characterization of a weld's structure constitutes a remarkable breakthrough in the interpretation of the ultrasonic testing on this type of component.

Mapping Affinities in Academic Organizations

Directory of Open Access Journals (Sweden)

Dario Rodighiero

2018-02-01

Full Text Available Scholarly affinities are one of the most fundamental hidden dynamics that drive scientific development. Some affinities are actual, and consequently can be measured through classical academic metrics such as co-authoring. Other affinities are potential, and therefore do not leave visible traces in information systems; for instance, some peers may share interests without actually knowing it. This article illustrates the development of a map of affinities for academic collectives, designed to be relevant to three audiences: the management, the scholars themselves, and the external public. Our case study involves the School of Architecture, Civil and Environmental Engineering of EPFL, hereinafter ENAC. The school consists of around 1,000 scholars, 70 laboratories, and 3 institutes. The actual affinities are modeled using the data available from the information systems reporting publications, teaching, and advising scholars, whereas the potential affinities are addressed through text mining of the publications. The major challenge for designing such a map is to represent the multi-dimensionality and multi-scale nature of the information. The affinities are not limited to the computation of heterogeneous sources of information; they also apply at different scales. The map, thus, shows local affinities inside a given laboratory, as well as global affinities among laboratories. This article presents a graphical grammar to represent affinities. Its effectiveness is illustrated by two actualizations of the design proposal: an interactive online system in which the map can be parameterized, and a large-scale carpet of 250 square meters. In both cases, we discuss how the materiality influences the representation of data, in particular the way key questions could be appropriately addressed considering the three target audiences: the insights gained by the management and their consequences in terms of governance, the understanding of the scholars’ own

On-bead chemical synthesis and display of phosphopeptides for affinity pull-down proteomics

DEFF Research Database (Denmark)

Malene, Brandt; Madsen, Jens C.; Bunkenborg, Jakob

2006-01-01

We describe a new method for phosphopeptide proteomics based on the solid-phase synthesis of phosphopeptides on beads suitable for affinity pull-down experiments. Peptide sequences containing the Bad Ser112 and Ser136 phosphorylation motifs were used as bait in affinity pull-down experiments...... (aldehyde) at the C terminus for potential activity-based proteomics. The synthetic support-bound Bad phosphopeptides were able to pull down 14-3-3zeta. Furthermore, Bad phosphopeptides bound endogenous 14-3-3 proteins, and all seven members of the 14-3-3 family were identified by mass spectrometry....... In control experiments, none of the unphosphorylated Bad peptides bound transfected 14-3-3zeta or endogenous 14-3-3. We conclude that the combined synthesis and display of phosphopeptides on-bead is a fast and efficient method for affinity pull-down proteomics....

Taphonomy and affinity of an enigmatic Silurian vertebrate, Jamoytius kerwoodi White

OpenAIRE

Sansom, Robert S.; Freedman, Kim; Gabbott, Sarah E.; Aldridge, Richard J.; Purnell, Mark A.

2010-01-01

The anatomy and affinities of Jamoytius kerwoodi White have long been controversial, because its complex taphonomy makes unequivocal interpretation impossible with the methodology used in previous studies. Topological analysis, model reconstruction and elemental analysis, followed by anatomical interpretation, allow features to be identified more rigorously and support the hypothesis that Jamoytius is a jawless vertebrate. The preserved features of Jamoytius include W-shaped phosphatic scales...

The use of the MCNP code for the quantitative analysis of elements in geological formations

Energy Technology Data Exchange (ETDEWEB)

Cywicka-Jakiel, T.; Woynicka, U. [The Henryk Niewodniczanski Institute of Nuclear Physics, Krakow (Poland); Zorski, T. [University of Mining and Metallurgy, Faculty of Geology, Geophysics and Environmental Protection, Krakow (Poland)

2003-07-01

The Monte Carlo modelling calculations using the MCNP code have been performed, which support the spectrometric neutron-gamma (SNGL) borehole logging. The SNGL enables the lithology identification through the quantitative analysis of the elements in geological formations and thus can be very useful for the oil and gas industry as well as for prospecting of the potential host rocks for radioactive waste disposal. In the SNGL experiment, gamma-rays induced by the neutron interactions with the nuclei of the rock elements are detected using the gamma-ray probe of complex mechanical and electronic construction. The probe has to be calibrated for a wide range of the elemental concentrations, to assure the proper quantitative analysis. The Polish Calibration Station in Zielona Gora is equipped with a limited number of calibration standards. An extension of the experimental calibration and the evaluation of the effect of the so-called side effects (for example the borehole and formation salinity variation) on the accuracy of the SNGL method can be done by the use of the MCNP code. The preliminary MCNP results showing the effect of the borehole and formation fluids salinity variations on the accuracy of silicon (Si), calcium (Ca) and iron (Fe) content determination are presented in the paper. The main effort has been focused on a modelling of the complex SNGL probe situated in a fluid filled borehole, surrounded by a geological formation. Track length estimate of the photon flux from the (n,gamma) interactions as a function of gamma-rays energy was used. Calculations were run on the PC computer with AMD Athlon 1.33 GHz processor. Neutron and photon cross-sections libraries were taken from the MCNP4c package and based mainly on the ENDF/B-6, ENDF/B-5 and MCPLIB02 data. The results of simulated experiment are in conformity with results of the real experiment performed with the use of the main lithology models (sandstones, limestones and dolomite). (authors)

The use of the MCNP code for the quantitative analysis of elements in geological formations

International Nuclear Information System (INIS)

Cywicka-Jakiel, T.; Woynicka, U.; Zorski, T.

2003-01-01

The Monte Carlo modelling calculations using the MCNP code have been performed, which support the spectrometric neutron-gamma (SNGL) borehole logging. The SNGL enables the lithology identification through the quantitative analysis of the elements in geological formations and thus can be very useful for the oil and gas industry as well as for prospecting of the potential host rocks for radioactive waste disposal. In the SNGL experiment, gamma-rays induced by the neutron interactions with the nuclei of the rock elements are detected using the gamma-ray probe of complex mechanical and electronic construction. The probe has to be calibrated for a wide range of the elemental concentrations, to assure the proper quantitative analysis. The Polish Calibration Station in Zielona Gora is equipped with a limited number of calibration standards. An extension of the experimental calibration and the evaluation of the effect of the so-called side effects (for example the borehole and formation salinity variation) on the accuracy of the SNGL method can be done by the use of the MCNP code. The preliminary MCNP results showing the effect of the borehole and formation fluids salinity variations on the accuracy of silicon (Si), calcium (Ca) and iron (Fe) content determination are presented in the paper. The main effort has been focused on a modelling of the complex SNGL probe situated in a fluid filled borehole, surrounded by a geological formation. Track length estimate of the photon flux from the (n,gamma) interactions as a function of gamma-rays energy was used. Calculations were run on the PC computer with AMD Athlon 1.33 GHz processor. Neutron and photon cross-sections libraries were taken from the MCNP4c package and based mainly on the ENDF/B-6, ENDF/B-5 and MCPLIB02 data. The results of simulated experiment are in conformity with results of the real experiment performed with the use of the main lithology models (sandstones, limestones and dolomite). (authors)

Guided waves dispersion equations for orthotropic multilayered pipes solved using standard finite elements code.

Science.gov (United States)

Predoi, Mihai Valentin

2014-09-01

The dispersion curves for hollow multilayered cylinders are prerequisites in any practical guided waves application on such structures. The equations for homogeneous isotropic materials have been established more than 120 years ago. The difficulties in finding numerical solutions to analytic expressions remain considerable, especially if the materials are orthotropic visco-elastic as in the composites used for pipes in the last decades. Among other numerical techniques, the semi-analytical finite elements method has proven its capability of solving this problem. Two possibilities exist to model a finite elements eigenvalue problem: a two-dimensional cross-section model of the pipe or a radial segment model, intersecting the layers between the inner and the outer radius of the pipe. The last possibility is here adopted and distinct differential problems are deduced for longitudinal L(0,n), torsional T(0,n) and flexural F(m,n) modes. Eigenvalue problems are deduced for the three modes classes, offering explicit forms of each coefficient for the matrices used in an available general purpose finite elements code. Comparisons with existing solutions for pipes filled with non-linear viscoelastic fluid or visco-elastic coatings as well as for a fully orthotropic hollow cylinder are all proving the reliability and ease of use of this method. Copyright © 2014 Elsevier B.V. All rights reserved.

Validations and applications of the FEAST code

Energy Technology Data Exchange (ETDEWEB)

Xu, Z.; Tayal, M.; Lau, J.H.; Evinou, D. [Atomic Energy of Canada Limited, Mississauga, Ontario (Canada); Jun, J.S. [Korea Atomic Energy Research Inst. (Korea, Republic of)

1999-07-01

The FEAST (Finite Element Analysis for STresses) code is part of a suite of computer codes that are used to assess the structural integrity of CANDu fuel elements and bundles. A detailed validation of the FEAST code was recently performed. The FEAST calculations are in good agreement with a variety of analytical solutions (18 cases) for stresses, strains and displacements. This consistency shows that the FEAST code correctly incorporates the fundamentals of stress analysis. Further, the calculations of the FEAST code match the variations in axial and hoop strain profiles, measured by strain gauges near the sheath-endcap weld during an out-reactor compression test. The code calculations are also consistent with photoelastic measurements in simulated endcaps. (author)

Validations and applications of the FEAST code

International Nuclear Information System (INIS)

Xu, Z.; Tayal, M.; Lau, J.H.; Evinou, D.; Jun, J.S.

1999-01-01

The FEAST (Finite Element Analysis for STresses) code is part of a suite of computer codes that are used to assess the structural integrity of CANDu fuel elements and bundles. A detailed validation of the FEAST code was recently performed. The FEAST calculations are in good agreement with a variety of analytical solutions (18 cases) for stresses, strains and displacements. This consistency shows that the FEAST code correctly incorporates the fundamentals of stress analysis. Further, the calculations of the FEAST code match the variations in axial and hoop strain profiles, measured by strain gauges near the sheath-endcap weld during an out-reactor compression test. The code calculations are also consistent with photoelastic measurements in simulated endcaps. (author)

Utilizing elements of the CSAU phenomena identification and ranking table (PIRT) to qualify a PWR non-LOCA transients system code

Energy Technology Data Exchange (ETDEWEB)

Greene, K.R.; Fletcher, C.D.; Gottula, R.C.; Lindquist, T.R.; Stitt, B.D. [Framatome ANP, Richland, WA (United States)

2001-07-01

Licensing analyses of Nuclear Regulatory Commission (NRC) Standard Review Plan (SRP) Chapter 15 non-LOCA transients are an important part of establishing operational safety limits and design limits for nuclear power plants. The applied codes and methods are generally qualified using traditional methods of benchmarking and assessment, sample problems, and demonstration of conservatism. Rigorous formal methods for developing code and methodology have been created and applied to qualify realistic methods for Large Break Loss-of-Coolant Accidents (LBLOCA's). This methodology, Code Scaling, Applicability, and Uncertainty (CSAU), is a very demanding, resource intensive, process to apply. It would be challenging to apply a comprehensive and complete CSAU level of analysis, individually, to each of the more than 30 non-LOCA transients that comprise Chapter 15 events. However, certain elements of the process can be easily adapted to improve quality of the codes and methods used to analyze non- LOCA transients. One of these elements is the Phenomena Identification and Ranking Table (PIRT). This paper presents the results of an informally constructed PIRT that applies to non-LOCA transients for Pressurized Water Reactors (PWR's) of the Westinghouse and Combustion Engineering design. A group of experts in thermal-hydraulics and safety analysis identified and ranked the phenomena. To begin the process, the PIRT was initially performed individually by each expert. Then through group interaction and discussion, a consensus was reached on both the significant phenomena and the appropriate ranking. The paper also discusses using the PIRT as an aid to qualify a 'conservative' system code and methodology. Once agreement was obtained on the phenomena and ranking, the table was divided into six functional groups, by nature of the transients, along the same lines as Chapter 15. Then, assessment and disposition of the significant phenomena was performed. The PIRT and

Development of a steady thermal-hydraulic analysis code for the China Advanced Research Reactor

Institute of Scientific and Technical Information of China (English)

TIAN Wenxi; QIU Suizheng; GUO Yun; SU Guanghui; JIA Dounan; LIU Tiancai; ZHANG Jianwei

2007-01-01

A multi-channel model steady-state thermalhydraulic analysis code was developed for the China Advanced Research Reactor (CARR). By simulating the whole reactor core, the detailed mass flow distribution in the core was obtained. The result shows that structure size plays the most important role in mass flow distribution, and the influence of core power could be neglected under singlephase flow. The temperature field of the fuel element under unsymmetrical cooling condition was also obtained, which is necessary for further study such as stress analysis, etc. Of the fuel element. At the same time, considering the hot channel effect including engineering factor and nuclear factor, calculation of the mean and hot channel was carried out and it is proved that all thermal-hydraulic parameters satisfy the "Safety design regulation of CARR".

Characterization of the human cerebrospinal fluid phosphoproteome by titanium dioxide affinity chromatography and mass spectrometry

DEFF Research Database (Denmark)

Bahl, Justyna Maria Czarna; Jensen, Søren Skov; Larsen, Martin R

2008-01-01

of phosphorylation aberrations in health and disease. Toward that goal we here describe a method for a comprehensive isolation and identification of phosphorylated tryptic peptides derived from CSF proteins using a simple sample preparation step and titanium dioxide-affinity chromatography followed by MALDI...

NCEL: two dimensional finite element code for steady-state temperature distribution in seven rod-bundle

International Nuclear Information System (INIS)

Hrehor, M.

1979-01-01

The paper deals with an application of the finite element method to the heat transfer study in seven-pin models of LMFBR fuel subassembly. The developed code NCEL solves two-dimensional steady state heat conduction equation in the whole subassembly model cross-section and enebles to perform the analysis of thermal behaviour in both normal and accidental operational conditions as eccentricity of the central rod or full or partial (porous) blockage of some part of the cross-flow area. The heat removal is simulated by heat sinks in coolant under conditions of subchannels slug flow approximation

Fundamentals of affinity cell separations.

Science.gov (United States)

Zhang, Ye; Lyons, Veronica; Pappas, Dimitri

2018-03-01

Cell separations using affinity methods continue to be an enabling science for a wide variety of applications. In this review, we discuss the fundamental aspects of affinity separation, including the competing forces for cell capture and elution, cell-surface interactions, and models for cell adhesion. Factors affecting separation performance such as bond affinity, contact area, and temperature are presented. We also discuss and demonstrate the effects of nonspecific binding on separation performance. Metrics for evaluating cell separations are presented, along with methods of comparing separation techniques for cell isolation using affinity capture. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Finite elements methods in mechanics

CERN Document Server

Eslami, M Reza

2014-01-01

This book covers all basic areas of mechanical engineering, such as fluid mechanics, heat conduction, beams, and elasticity with detailed derivations for the mass, stiffness, and force matrices. It is especially designed to give physical feeling to the reader for finite element approximation by the introduction of finite elements to the elevation of elastic membrane. A detailed treatment of computer methods with numerical examples are provided. In the fluid mechanics chapter, the conventional and vorticity transport formulations for viscous incompressible fluid flow with discussion on the method of solution are presented. The variational and Galerkin formulations of the heat conduction, beams, and elasticity problems are also discussed in detail. Three computer codes are provided to solve the elastic membrane problem. One of them solves the Poisson’s equation. The second computer program handles the two dimensional elasticity problems, and the third one presents the three dimensional transient heat conducti...

A mass and energy conserving spectral element atmospheric dynamical core on the cubed-sphere grid

International Nuclear Information System (INIS)

Taylor, M A; Edwards, J; Thomas, S; Nair, R

2007-01-01

We present results from a conservative formulation of the spectral element method applied to global atmospheric circulation modeling. Exact local conservation of both mass and energy is obtained via a new compatible formulation of the spectral element method. Compatibility insures that the key integral property of the divergence and gradient operators required to show conservation also hold in discrete form. The spectral element method is used on a cubed-sphere grid to discretize the horizontal directions on the sphere. It can be coupled to any conservative vertical/radial discretization. The accuracy and conservation properties of the method are illustrated using a baroclinic instability test case

Mass spectrometric characterization of elements and molecules in cell cultures and tissues

International Nuclear Information System (INIS)

Arlinghaus, H.F.; Kriegeskotte, C.; Fartmann, M.; Wittig, A.; Sauerwein, W.; Lipinsky, D.

2006-01-01

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) and laser post-ionization secondary neutral mass spectrometry (laser-SNMS) have been used to image and quantify targeted compounds, intrinsic elements and molecules with subcellular resolution in single cells of both cell cultures and tissues. Special preparation procedures for analyzing cell cultures and tissue materials were developed. Cancer cells type MeWo, incubated with boronated compounds, were sandwiched between two substrates, cryofixed, freeze-fractured and freeze-dried. Also, after injection with boronated compounds, different types of mouse tissues were extracted, prepared on a special specimen carrier and plunged with high velocity into LN 2 -cooled propane for cryofixation. After trimming, these tissue blocks were freeze-dried. The measurements of the K/Na ratio demonstrated that for both cell cultures and tissue materials the special preparation techniques used were appropriate for preserving the chemical and structural integrity of the living cell. The boron images show inter- and intracellular boron signals with different intensities. Molecular images show distinct features partly correlated with the cell structure. A comparison between laser-SNMS and ToF-SIMS showed that especially laser-SNMS is particularly well-suited for identifying specific cell structures and imaging ultratrace element concentrations in tissues

RAPK-7. code for calculating mass transfer and corrosion products activation in the circulation loops of water-cooled reactors

International Nuclear Information System (INIS)

Mikhaylov, A.V.; Moryakov, A.V.; Nikitin, A.V.

2012-09-01

The RAPK-7 code was developed to simulate formation of non-irradiated and activated corrosion products, their transport and deposition on inner surfaces of primary components and in primary coolant of water-cooled reactors during their operation on power and after shutdown. The key feature of this code is its particular emphasis on the contamination of circulation loops by radioactive corrosion products of reactor which operates on variable modes. Such reactors typically are: research reactors and their experimental loops, naval nuclear power systems, etc. It's typical for such reactors to have repeated (over the campaign) and frequent variations in power (activating neutron fluxes), thermal-physical, hydrodynamic and other parameters of coolant, intensive water mass exchange between the circulation loop and the pressuriser, etc. The processes of mass-transfer are described by the RAPK-7 code with the use of models similar to those employed by the COTRAN and PACTOLE codes. The circulation circuit is broken down into computation areas. The user will then set the concentrations of water chemistry adjusting additives (alkali, boric acid, ammonia, hydrogen), as well as parameters in each area, such as wall temperature, coolant flow core temperature, pressure, flow rate, velocity, the radial component of coolant flowrate and activating neutron flux density. All the above parameters can be set as time-dependent step functions (bar charts), with independent time steps for each of them. The number of computation areas, the number of time dependencies and the level of detail in their description are limited by computer capabilities only. A 'brake' mode with a single-step change of the required set of parameters is provided to allow for jump-type events, such as replacement of contaminated components with clean ones during core refueling or repairs, emergency injection of boric acid, water mass exchange between the circulation circuit and the pressuriser, etc

Quantitative characterization of galectin-3-C affinity mass spectrometry measurements: Comprehensive data analysis, obstacles, shortcuts and robustness.

Science.gov (United States)

Haramija, Marko; Peter-Katalinić, Jasna

2017-10-30

Affinity mass spectrometry (AMS) is an emerging tool in the field of the study of protein•carbohydrate complexes. However, experimental obstacles and data analysis are preventing faster integration of AMS methods into the glycoscience field. Here we show how analysis of direct electrospray ionization mass spectrometry (ESI-MS) AMS data can be simplified for screening purposes, even for complex AMS spectra. A direct ESI-MS assay was tested in this study and binding data for the galectin-3C•lactose complex were analyzed using a comprehensive and simplified data analysis approach. In the comprehensive data analysis approach, noise, all protein charge states, alkali ion adducts and signal overlap were taken into account. In a simplified approach, only the intensities of the fully protonated free protein and the protein•carbohydrate complex for the main protein charge state were taken into account. In our study, for high intensity signals, noise was negligible, sodiated protein and sodiated complex signals cancelled each other out when calculating the K d value, and signal overlap influenced the Kd value only to a minor extent. Influence of these parameters on low intensity signals was much higher. However, low intensity protein charge states should be avoided in quantitative AMS analyses due to poor ion statistics. The results indicate that noise, alkali ion adducts, signal overlap, as well as low intensity protein charge states, can be neglected for preliminary experiments, as well as in screening assays. One comprehensive data analysis performed as a control should be sufficient to validate this hypothesis for other binding systems as well. Copyright © 2017 John Wiley & Sons, Ltd.

Exact S-matrices for dn+1(2) affine Toda solitons and their bound states

International Nuclear Information System (INIS)

Gandenberger, G.M.; MacKay, N.J.

1995-01-01

We conjecture an exact S-matrix for the scattering of solitons in d n+1 (2) affine Toda field theory in terms of the R-matrix of the quantum group U q (c n (1) ). From this we construct the scattering amplitudes for all scalar bound states (breathers) of the theory. This S-matrix conjecture is justified by detailed examination of its pole structure. We show that a breather-particle identification holds by comparing the S-matrix elements for the lowest breathers with the S-matrix for the quantum particles in real affine Toda field theory, and discuss the implications for various forms of duality. (orig.)

Development of a locally mass flux conservative computer code for calculating 3-D viscous flow in turbomachines

Science.gov (United States)

Walitt, L.

1982-01-01

The VANS successive approximation numerical method was extended to the computation of three dimensional, viscous, transonic flows in turbomachines. A cross-sectional computer code, which conserves mass flux at each point of the cross-sectional surface of computation was developed. In the VANS numerical method, the cross-sectional computation follows a blade-to-blade calculation. Numerical calculations were made for an axial annular turbine cascade and a transonic, centrifugal impeller with splitter vanes. The subsonic turbine cascade computation was generated in blade-to-blade surface to evaluate the accuracy of the blade-to-blade mode of marching. Calculated blade pressures at the hub, mid, and tip radii of the cascade agreed with corresponding measurements. The transonic impeller computation was conducted to test the newly developed locally mass flux conservative cross-sectional computer code. Both blade-to-blade and cross sectional modes of calculation were implemented for this problem. A triplet point shock structure was computed in the inducer region of the impeller. In addition, time-averaged shroud static pressures generally agreed with measured shroud pressures. It is concluded that the blade-to-blade computation produces a useful engineering flow field in regions of subsonic relative flow; and cross-sectional computation, with a locally mass flux conservative continuity equation, is required to compute the shock waves in regions of supersonic relative flow.

Electron affinities: theoretical

International Nuclear Information System (INIS)

Kaufman, J.J.

1976-01-01

A brief description is given of the conceptual background and formalism of the various ab-initio and semi-ab-initio quantum computational techniques for calculating atomic and molecular electron affinities: Hartree--Fock--Roothaan SCF, configuration interaction (CI), multiconfiguration SCF (MC-SCF), Bethe--Goldstone, superposition of configurations (SOC), ab-initio effective core model potentials, Xα-MS, plus other less common methods. Illustrative and comparative examples of electron affinities calculated by these various methods are presented

Simulation of incompressible flows with heat and mass transfer using parallel finite element method

Directory of Open Access Journals (Sweden)

Jalal Abedi

2003-02-01

Full Text Available The stabilized finite element formulations based on the SUPG (Stream-line-Upwind/Petrov-Galerkin and PSPG (Pressure-Stabilization/Petrov-Galerkin methods are developed and applied to solve buoyancy-driven incompressible flows with heat and mass transfer. The SUPG stabilization term allows us to solve flow problems at high speeds (advection dominant flows and the PSPG term eliminates instabilities associated with the use of equal order interpolation functions for both pressure and velocity. The finite element formulations are implemented in parallel using MPI. In parallel computations, the finite element mesh is partitioned into contiguous subdomains using METIS, which are then assigned to individual processors. To ensure a balanced load, the number of elements assigned to each processor is approximately equal. To solve nonlinear systems in large-scale applications, we developed a matrix-free GMRES iterative solver. Here we totally eliminate a need to form any matrices, even at the element levels. To measure the accuracy of the method, we solve 2D and 3D example of natural convection flows at moderate to high Rayleigh numbers.

Determination of trace and ultra-trace elements in Dergaon meteorite by inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Balaram, V.; Gnaneswara Rao, T.; Anjaiah, K.V.; Phukon, N.; Majumdar, A.C.

2003-01-01

In this paper, a detailed methodology for high precision measurement of several trace and ultra-trace elements including REE and PGE have been presented using effective sample preparation techniques and inductively coupled plasma mass spectrometry. Discussion is focussed on aspects, such as total dissolution and recovery of all elements, minimization of oxide and doubly-charged and other polyatomic ion interferences, calibration by matrix matching standards, accuracy and precision

Hemoglobin affinity in Andean rodents

Directory of Open Access Journals (Sweden)

HRVOJ OSTOJIC

2002-01-01

Full Text Available Blood hemoglobin oxygen affinity (P50 was measured in three Andean species and in the laboratory rat (control, all raised near sea level. Chinchilla lanigera (Molina, 1792 has an altitudinal habitat range from low Andean slopes up to 3000 m., while Chinchilla brevicaudata (Waterhouse, 1848 has an altitudinal range from 3000 to 5000 m. The laboratory type guinea pig, wild type guinea pig (Cavia porcellus, (Waterhouse, 1748, and laboratory rat (Rattus norvegicus were also raised at sea level. The Andean species had high hemoglobin oxygen affinities (low P50 compared with the rat. Chinchilla brevicaudata had a higher affinity than Chinchilla lanigera. The wild type guinea pig had a higher affinity than the laboratory type. As has been shown in other species, this is another example of an inverse correlation between the altitude level and the P50 values. This is the first hemoglobin oxygen affinity study in Chinchilla brevicaudata.

Multi-element determination in environmental samples by mass spectrometric isotope dilution analysis using thermal ionization. Pt. 2

International Nuclear Information System (INIS)

Hilpert, K.; Waidmann, E.

1988-01-01

An analytical procedure for the multi-element analysis of the elements Fe, Ni, Cu, Zn, Ga, Rb, Sr, Cd, Ba, Tl, and Pb in pine needles by mass spectrometric isotope dilution analysis using thermal ionization has been reported in Part I of this paper. This procedure is now transferred to the non-vegetable material 'Oyster Tissue' (Standard Reference Material 1566, National Bureau of Standards, USA). By a modification of the analytical procedure, it was possible to determine Cr in this material in addition to the aforementioned elements. No concentrations are certified for the elements Ga, Ba and Tl analyzed in this work. The concentrations of the remaining elements obtained by the multi-element analysis agree well with those certified. (orig.)

Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.

Science.gov (United States)

Duss, Olivier; Michel, Erich; Diarra dit Konté, Nana; Schubert, Mario; Allain, Frédéric H-T

2014-04-01

The carbon storage regulator/regulator of secondary metabolism (Csr/Rsm) type of small non-coding RNAs (sRNAs) is widespread throughout bacteria and acts by sequestering the global translation repressor protein CsrA/RsmE from the ribosome binding site of a subset of mRNAs. Although we have previously described the molecular basis of a high affinity RNA target bound to RsmE, it remains unknown how other lower affinity targets are recognized by the same protein. Here, we have determined the nuclear magnetic resonance solution structures of five separate GGA binding motifs of the sRNA RsmZ of Pseudomonas fluorescens in complex with RsmE. The structures explain how the variation of sequence and structural context of the GGA binding motifs modulate the binding affinity for RsmE by five orders of magnitude (∼10 nM to ∼3 mM, Kd). Furthermore, we see that conformational adaptation of protein side-chains and RNA enable recognition of different RNA sequences by the same protein contributing to binding affinity without conferring specificity. Overall, our findings illustrate how the variability in the Csr/Rsm protein-RNA recognition allows a fine-tuning of the competition between mRNAs and sRNAs for the CsrA/RsmE protein.

A benchmark comparison of the Canadian Supercritical Water-Cooled Reactor (SCWR) 64-element fuel lattice cell parameters using various computer codes

Energy Technology Data Exchange (ETDEWEB)

Sharpe, J.; Salaun, F.; Hummel, D.; Moghrabi, A., E-mail: sharpejr@mcmaster.ca [McMaster University, Hamilton, ON (Canada); Nowak, M. [McMaster University, Hamilton, ON (Canada); Institut National Polytechnique de Grenoble, Phelma, Grenoble (France); Pencer, J. [McMaster University, Hamilton, ON (Canada); Canadian Nuclear Laboratories, Chalk River, ON, (Canada); Novog, D.; Buijs, A. [McMaster University, Hamilton, ON (Canada)

2015-07-01

Discrepancies in key lattice physics parameters have been observed between various deterministic (e.g. DRAGON and WIMS-AECL) and stochastic (MCNP, KENO) neutron transport codes in modeling previous versions of the Canadian SCWR lattice cell. Further, inconsistencies in these parameters have also been observed when using different nuclear data libraries. In this work, the predictions of k∞, various reactivity coefficients, and relative ring-averaged pin powers have been re-evaluated using these codes and libraries with the most recent 64-element fuel assembly geometry. A benchmark problem has been defined to quantify the dissimilarities between code results for a number of responses along the fuel channel under prescribed hot full power (HFP), hot zero power (HZP) and cold zero power (CZP) conditions and at several fuel burnups (0, 25 and 50 MW·d·kg{sup -1} [HM]). Results from deterministic (TRITON, DRAGON) and stochastic codes (MCNP6, KENO V.a and KENO-VI) are presented. (author)

A benchmark comparison of the Canadian Supercritical Water-Cooled Reactor (SCWR) 64-element fuel lattice cell parameters using various computer codes

International Nuclear Information System (INIS)

Sharpe, J.; Salaun, F.; Hummel, D.; Moghrabi, A.; Nowak, M.; Pencer, J.; Novog, D.; Buijs, A.

2015-01-01

Discrepancies in key lattice physics parameters have been observed between various deterministic (e.g. DRAGON and WIMS-AECL) and stochastic (MCNP, KENO) neutron transport codes in modeling previous versions of the Canadian SCWR lattice cell. Further, inconsistencies in these parameters have also been observed when using different nuclear data libraries. In this work, the predictions of k∞, various reactivity coefficients, and relative ring-averaged pin powers have been re-evaluated using these codes and libraries with the most recent 64-element fuel assembly geometry. A benchmark problem has been defined to quantify the dissimilarities between code results for a number of responses along the fuel channel under prescribed hot full power (HFP), hot zero power (HZP) and cold zero power (CZP) conditions and at several fuel burnups (0, 25 and 50 MW·d·kg"-"1 [HM]). Results from deterministic (TRITON, DRAGON) and stochastic codes (MCNP6, KENO V.a and KENO-VI) are presented. (author)

Propel: A Discontinuous-Galerkin Finite Element Code for Solving the Reacting Navier-Stokes Equations

Science.gov (United States)

Johnson, Ryan; Kercher, Andrew; Schwer, Douglas; Corrigan, Andrew; Kailasanath, Kazhikathra

2017-11-01

This presentation focuses on the development of a Discontinuous Galerkin (DG) method for application to chemically reacting flows. The in-house code, called Propel, was developed by the Laboratory of Computational Physics and Fluid Dynamics at the Naval Research Laboratory. It was designed specifically for developing advanced multi-dimensional algorithms to run efficiently on new and innovative architectures such as GPUs. For these results, Propel solves for convection and diffusion simultaneously with detailed transport and thermodynamics. Chemistry is currently solved in a time-split approach using Strang-splitting with finite element DG time integration of chemical source terms. Results presented here show canonical unsteady reacting flow cases, such as co-flow and splitter plate, and we report performance for higher order DG on CPU and GPUs.

Application of slurry nebulization to trace elemental analysis of some biological samples by inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Mochizuki, T.; Sakashita, A.; Iwata, H.; Ishibashi, Y.; Gunji, N.

1991-01-01

The application of slurry nebulization/inductively coupled plasma mass spectrometry (ICP-MS) to trace elemental analysis of biological samples has been investigated. Three standard samples of the National Institute of Standards and Technology (NIST) were dispersed in 1% aqueous Triton X-100 solution by grinding with a planetary micronizing mill. The resulting slurries were nebulized into an ICP without any additional treatments. The 1% (m/v) slurry of the NIST bovine liver showed no significant influence on cone blockage and signal suppression/enhancement. Detection limit, precision and accuracy were discussed for the determination of 24 elements of interest in bovine liver, rice flour and pine needles. Detection limits ranged from 0.0001 μg g -1 for U to 0.52 μg g -1 for Zn at the effective integrating time of 10 s. For high mass elements, low blank values were obtained, yielding excellent limits ( -1 ). Acceptable accuracy and precision were obtained for most of the elements in the NIST bovine liver and rice flour, even for the volatile elements, such as As, Se and Br. However, relatively poor accuracy was obtained for the analysis of pine needles. (orig.)

Preliminary study of elemental mass size distribution of urban aerosol collected in Debrecen

International Nuclear Information System (INIS)

Kertesz, Zs.; Borbely-Kiss, I.; Kiss, A.Z.; Koltay, E.; Szabo, Gy.

2000-01-01

Complete text of publication follows. Aerosol sampling campaigns were performed during January-February 1998 and August 1998 at an urban location (in the yard of the Institute of Nuclear Research), where aerosol sampling has been carried out continuously since 1991 with single stage Nuclepore filter holders, and since 1994 with 2-stage Gent stacked filter units (SFU). In the winter period in four weekdays 24-hours samplings were performed with a 7-stage PIXE International Cascade Impactor (PCI) and simultaneously with a SFU. On 19-25 August 1998, a week-long aerosol sampling campaign was carried out with the PCI (24-hour samplings), a SFU (24-hour samplings), and a streaker sampler (168-hour continuous sampling). For this period meteorological data were also obtained by a micro-meteorological station installed at the same location by the Radon Group. Elemental concentrations for Al, Si, P, S, Cl, K, Ca, Ti, V, Mn, Fe, Ni, Cu, Zn, Ba and Pb of the aerosol samples were determined by PIXE using the 2 MeV energy proton beam of the 5 MeV Van de Graaff accelerator of the Institute. The obtained average elemental concentrations and the seasonal variation in the elemental concentrations show good correlation with the results obtained from the analysis of the samples collected in previous years. In winter the elemental concentrations are usually lower than in summer, except Cl. The Cl concentration in the coarse fraction is higher with a factor of 10 than in summer due to the salting of the roads and pavements. The summer period included a long weekend with a national holiday. During the weekend the elemental concentrations and also the total mass decreased, and in the beginning of the following week it started to increase. Size distribution: the impactor we have used separate the aerosol within the size range of 0.25 μm and 30 μm into 7 fractions. The mass size distribution for elements of natural origin, like Si, Ca, Ti, Fe, and Mn has one mode: the coarse mode. The

Development of filter element from nanocomposites of ultra high molar mass polyethylene having silver nanoparticles

International Nuclear Information System (INIS)

Bizzo, Maurizio A.; Wang, S. Hui

2015-01-01

The production of polymer based filter elements for water is widespread in the market but has an undesirable characteristic, they are not always efficient and capable of retaining or eliminating microorganisms. This paper proposes the production of filters with biocidal activity, comprised by nanocomposites of ultra-high molar mass polyethylene (UHMMPE) containing silver nanoparticles. The polymer is responsible for the uniform porous structure of the filter element and the Ag nanoparticles for its biocidal action. The filter elements were produced from two kinds of UHMMPE particles with different particle size distributions, one in the range of 150 to 200μm and the other of 300 to 400μm. Samples were collected from the obtained filter elements and characterized by X-ray diffractometry, scanning electron microscopy and microanalysis. The results indicated the formation of nanocomposite containing silver nanoparticles. (author)

A new 3-D integral code for computation of accelerator magnets

International Nuclear Information System (INIS)

Turner, L.R.; Kettunen, L.

1991-01-01

For computing accelerator magnets, integral codes have several advantages over finite element codes; far-field boundaries are treated automatically, and computed field in the bore region satisfy Maxwell's equations exactly. A new integral code employing edge elements rather than nodal elements has overcome the difficulties associated with earlier integral codes. By the use of field integrals (potential differences) as solution variables, the number of unknowns is reduced to one less than the number of nodes. Two examples, a hollow iron sphere and the dipole magnet of Advanced Photon Source injector synchrotron, show the capability of the code. The CPU time requirements are comparable to those of three-dimensional (3-D) finite-element codes. Experiments show that in practice it can realize much of the potential CPU time saving that parallel processing makes possible. 8 refs., 4 figs., 1 tab

Geomechanical Simulations of Caprock Integrity Using the Livermore Distinict Element Method

Energy Technology Data Exchange (ETDEWEB)

Morris, J; Johnson, S; Friedmann, S J

2008-04-17

Large-scale carbon capture and sequestration (CCS) projects involving annual injections of millions of tons of CO2 are a key infrastructural element needed to substantially reduce greenhouse gas emissions. The large rate and volume of injection will induce pressure and stress gradients within the formation that could activate existing fractures and faults, or drive new fractures through the caprock. We will present results of an ongoing investigation to identify conditions that will activate existing fractures/faults or make new fractures within the caprock using the Livermore Distinct Element Code (LDEC). LDEC is a multiphysics code, developed at LLNL, capable of simulating dynamic fracture of rock masses under a range of conditions. As part of a recent project, LDEC has been extended to consider fault activation and dynamic fracture of rock masses due to pressurization of the pore-space. We will present several demonstrations of LDEC functionality and an application of LDEC to a CO2 injection scenario. We present results from our investigations of Teapot Dome using LDEC to study the potential for fault activation during injection. Using this approach, we built finite element models of the rock masses surrounding bounding faults and explicitly simulated the compression and shear on the fault interface. A CO2 injection source was introduced and the area of fault activation was predicted as a function of injection rate. This work presents an approach where the interactions of all locations on the fault are considered in response to specific injection scenarios. For example, with LDEC, as regions of the fault fail, the shear load is taken up elsewhere on the fault. The results of this study are consistent with previous studies of Teapot Dome and indicate significantly elevated pore pressures are required to activate the bounding faults, given the assumed in situ stress state on the faults.

Core conversion from rod to plate type fuel elements in research reactors

International Nuclear Information System (INIS)

Khattab, M.S.; Mina, A.R.

1997-01-01

Core thermalhydraulic analysis have been performed for rod and plate types fuel elements without altering the core bundles square grid spacer (68 mm, side) and coolant mass flow rate. The U O 2 -Mg, 10% enrichment rod type fuel elements are replaced by the MTR plate type, U-Al alloy of 20% enrichment. Coolant mass flux increased from 2000 kg/m 2 S to 5000 kg/m 2 S. Reactor power could be upgraded from 2 to 10 MW without significantly altering the steady state, thermal-hydraulic safety margins. Fuel, clad and coolant transient temperatures are determined inside the core hot channel during flow coast down using paret code. Residual heat removal system of 20% coolant capacity is necessary for upgrading reactor power to encounter the case of pumps off at 10 MW nominal operation. 6 figs., 2 tabs

FINELM: a multigroup finite element diffusion code

International Nuclear Information System (INIS)

Higgs, C.E.; Davierwalla, D.M.

1981-06-01

FINELM is a FORTRAN IV program to solve the Neutron Diffusion Equation in X-Y, R-Z, R-theta, X-Y-Z and R-theta-Z geometries using the method of Finite Elements. Lagrangian elements of linear or higher degree to approximate the spacial flux distribution have been provided. The method of dissections, coarse mesh rebalancing and Chebyshev acceleration techniques are available. Simple user defined input is achieved through extensive input subroutines. The input preparation is described followed by a program structure description. Sample test cases are provided. (Auth.)

Solution of 2D and 3D hexagonal geometry benchmark problems by using the finite element diffusion code DIFGEN

International Nuclear Information System (INIS)

Gado, J.

1986-02-01

The four group, 2D and 3D hexagonal geometry HTGR benchmark problems and a 2D hexagonal geometry PWR (WWER) benchmark problem have been solved by using the finite element diffusion code DIFGEN. The hexagons (or hexagonal prisms) were subdivided into first order or second order triangles or quadrilaterals (or triangular or quadrilateral prisms). In the 2D HTGR case of the number of the inserted absorber rods was also varied (7, 6, 0 or 37 rods). The calculational results are in a good agreement with the results of other calculations. The larger systematic series of DIFGEN calculations have given a quantitative picture on the convergence properties of various finite element modellings of hexagonal grids in DIFGEN. (orig.)

Effects of non-linearity of material properties on the coupled mechanical-hydraulic-thermal behavior in rock mass

International Nuclear Information System (INIS)

Kobayashi, Akira; Ohnishi, Yuzo

1986-01-01

The nonlinearity of material properties used in the coupled mechanical-hydraulic-thermal analysis is investigated from the past literatures. Some nonlinearity that is respectively effective for the system is introduced into our computer code for analysis such a coupling problem by using finite element method. And the effects of nonlinearity of each material property on the coupled behavior in rock mass are examined for simple model and Stripa project model with the computer code. (author)

New binary linear codes which are dual transforms of good codes

NARCIS (Netherlands)

Jaffe, D.B.; Simonis, J.

1999-01-01

If C is a binary linear code, one may choose a subset S of C, and form a new code CST which is the row space of the matrix having the elements of S as its columns. One way of picking S is to choose a subgroup H of Aut(C) and let S be some H-stable subset of C. Using (primarily) this method for

Quantitative protein expression analysis of CLL B cells from mutated and unmutated IgV(H) subgroups using acid-cleavable isotope-coded affinity tag reagents.

Science.gov (United States)

Barnidge, David R; Jelinek, Diane F; Muddiman, David C; Kay, Neil E

2005-01-01

Relative protein expression levels were compared in leukemic B cells from two patients with chronic lymphocytic leukemia (CLL) having either mutated (M-CLL) or unmutated (UM-CLL) immunoglobulin variable heavy chain genes (IgV(H)). Cells were separated into cytosol and membrane protein fractions then labeled with acid-cleavable ICAT reagents (cICAT). Labeled proteins were digested with trypsin then subjected to SCX and affinity chromatography followed by LC-ESI-MS/MS analysis on a linear ion trap mass spectrometer. A total of 9 proteins from the cytosol fraction and 4 from the membrane fraction showed a 3-fold or greater difference between M-CLL and UM-CLL and a subset of these were examined by Western blot where results concurred with cICAT abundance ratios. The abundance of one of the proteins in particular, the mitochondrial membrane protein cytochrome c oxidase subunit COX G was examined in 6 M-CLL and 6 UM-CLL patients using western blot and results showed significantly greater levels (P < 0.001) in M-CLL patients vs UM-CLL patients. These results demonstrate that stable isotope labeling and mass spectrometry can complement 2D gel electrophoresis and gene microarray technologies for identifying putative and perhaps unique prognostic markers in CLL.

2017 Guralp Affinity Digitizer Evaluation.

Energy Technology Data Exchange (ETDEWEB)

Merchant, Bion J.

2018-03-01

Sandia National Laboratories has tested and evaluated two Guralp Affinity digitizers. The Affinity digitizers are intended to record sensor output for seismic and infrasound monitoring applications. The purpose of this digitizer evaluation is to measure the performance characteristics in such areas as power consumption, input impedance, sensitivity, full scale, self- noise, dynamic range, system noise, response, passband, and timing. The Affinity digitizers are being evaluated for potential use in the International Monitoring System (IMS) of the Comprehensive Nuclear Test-Ban-Treaty Organization (CTBTO).

A measurement of the top quark mass with a matrix element method

Energy Technology Data Exchange (ETDEWEB)

Gibson, Adam Paul [Univ. of California, Berkeley, CA (United States)

2006-01-01

The authors present a measurement of the mass of the top quark. The event sample is selected from proton-antiproton collisions, at 1.96 TeV center-of-mass energy, observed with the CDF detector at Fermilab's Tevatron. They consider a 318 pb^-1 dataset collected between March 2002 and August 2004. They select events that contain one energetic lepton, large missing transverse energy, exactly four energetic jets, and at least one displaced vertex b tag. The analysis uses leading-order t$\\bar{t}$ and background matrix elements along with parameterized parton showering to construct event-by-event likelihoods as a function of top quark mass. From the 63 events observed with the 318 pb^-1 dataset they extract a top quark mass of 172.0 ± 2.6(stat) ± 3.3(syst) GeV/c² from the joint likelihood. The mean expected statistical uncertainty is 3.2 GeV/c² for m $\\bar{t}$ = 178 GTeV/c² and 3.1 GeV/c² for m $\\bar{t}$ = 172.5 GeV/c². The systematic error is dominated by the uncertainty of the jet energy scale.

Quantitative determination of minor and trace elements in rocks and soils by spark source mass spectrometry

International Nuclear Information System (INIS)

Ure, A.M.; Bacon, J.R.

1978-01-01

Experimental details are given of the quantitative determination of minor and trace elements in rocks and soils by spark source mass spectrometry. The effects of interfering species, and corrections that can be applied, are discussed. (U.K.)

Characterization of flux-grown Trace-element-doped titanite using the high-mass-resolution ion microprobe (SHRIMP-RG)

Science.gov (United States)

Mazdab, F.K.

2009-01-01

Crystals of titanite can be readily grown under ambient pressure from a mixture of CaO, TiO2 and SiO2 in the presence of molten sodium tetraborate. The crystals produced are euhedral and prismatic, lustrous and transparent, and up to 5 mm in length. Titanite obtained by this method contains approximately 4300 ppm Na and 220 ppm B contributed from the flux. In addition to dopant-free material, titanite containing trace alkali and alkaline earth metals (K, Sr, Ba), transition metals (Sc, Cr, Ni, Y, Zr, Nb, Hf and Ta), rare-earth elements (REE), actinides (Th, U) and p-block elements (F, S, Cl, Ge, Sn and Pb) have been prepared using the same procedure. Back-scattered electron (BSE) imaging accompanied by ion-microprobe (SHRIMP-RG) analysis confirms significant incorporation of selected trace-elements at structural sites. Regardless of some zonation, the large size of the crystals and broad regions of chemical homogeneity make these crystals useful as experimental starting material, and as matrix-matched trace-element standards for a variety of microbeam analytical techniques where amorphous titanite glass, heterogeneous natural titanite or a non-titanite standard may be less than satisfactory. Trace-element-doped synthetic crystals can also provide a convenient proxy for a better understanding of trace-element incorporation in natural titanite. Comparisons with igneous, authigenic and high-temperature metasomatic titanite are examined. The use of high-mass-resolution SIMS also demonstrates the analytical challenges inherent to any in situ mass-spectrometry-based analysis of titanite, owing to the production of difficult-to-resolve molecular interferences. These interferences are dominated by Ca-Ca, Ca-Ti and Ti-Ti dimers that are significant in the mass range of 80-100, affecting all isotopes of Sr and Zr, as well as 89Y and 93Nb. Methods do exist for the evaluation of interferences by these dimers and of polyatomic interferences on the LREE.

The Effects of Musical Elements in Mass Media and Internet on the Social Development of Children and Adolescents

Science.gov (United States)

Celasin, Cenk

2013-01-01

In this qualitative study, musical elements in mass media and internet mostly intended to children and adolescents, were examined in the context of the dimensions of the social development of them in a general approach, through scientific literature and written, audio, visual and audio-visual documents regarding mass media and internet. Purpose of…

HAT-P-26b: A Neptune-mass exoplanet with a well-constrained heavy element abundance.

Science.gov (United States)

Wakeford, Hannah R; Sing, David K; Kataria, Tiffany; Deming, Drake; Nikolov, Nikolay; Lopez, Eric D; Tremblin, Pascal; Amundsen, David S; Lewis, Nikole K; Mandell, Avi M; Fortney, Jonathan J; Knutson, Heather; Benneke, Björn; Evans, Thomas M

2017-05-12

A correlation between giant-planet mass and atmospheric heavy elemental abundance was first noted in the past century from observations of planets in our own Solar System and has served as a cornerstone of planet-formation theory. Using data from the Hubble and Spitzer Space Telescopes from 0.5 to 5 micrometers, we conducted a detailed atmospheric study of the transiting Neptune-mass exoplanet HAT-P-26b. We detected prominent H 2 O absorption bands with a maximum base-to-peak amplitude of 525 parts per million in the transmission spectrum. Using the water abundance as a proxy for metallicity, we measured HAT-P-26b's atmospheric heavy element content ([Formula: see text] times solar). This likely indicates that HAT-P-26b's atmosphere is primordial and obtained its gaseous envelope late in its disk lifetime, with little contamination from metal-rich planetesimals. Copyright © 2017, American Association for the Advancement of Science.

Measurement of the Top Quark Mass Using the Matrix Element Technique in Dilepton Final States

CERN Document Server

Abazov, Victor Mukhamedovich

2016-08-18

We present a measurement of the top quark mass in ppbar collisions at a center-of-mass energy of 1.96 TeV at the Fermilab Tevatron collider. The data were collected by the D0 experiment corresponding to an integrated luminosity of 9.7 fb-1. The matrix element technique is applied to ttbar events in the final state containing leptons (electrons or muons) with high transverse momenta and at least two jets. The calibration of the jet energy scale determined in the lepton + jets final state of ttbar decays is applied to jet energies. This correction provides a substantial reduction in systematic uncertainties. We obtain a top quark mass of mt = 173.93 +- 1.84 GeV.

Two-parameter quantum affine algebra Ur,s(sln-circumflex), Drinfeld realization and quantum affine Lyndon basis

International Nuclear Information System (INIS)

Hu Naihong; Rosso, M.; Zhang Honglian

2006-12-01

We further find the defining structure of a two-parameter quantum affine algebra U r,s (sl n -circumflex) (n > 2) in the sense of Benkart-Witherspoon [BW1] after the work of [BGH1], [HS] and [BH], which turns out to be a Drinfeld double. Of more importance for the 'affine' cases is that we work out the compatible two-parameter version of the Drinfeld realization as a quantum affinization of U r,s (sl n ) and establish the Drinfeld isomorphism Theorem in the two-parameter setting via developing a new remarkable combinatorial approach - quantum 'affine' Lyndon basis with an explicit valid algorithm, based on the Drinfeld realization. (author)

Distributed Video Coding for Multiview and Video-plus-depth Coding

DEFF Research Database (Denmark)

Salmistraro, Matteo

The interest in Distributed Video Coding (DVC) systems has grown considerably in the academic world in recent years. With DVC the correlation between frames is exploited at the decoder (joint decoding). The encoder codes the frame independently, performing relatively simple operations. Therefore......, with DVC the complexity is shifted from encoder to decoder, making the coding architecture a viable solution for encoders with limited resources. DVC may empower new applications which can benefit from this reversed coding architecture. Multiview Distributed Video Coding (M-DVC) is the application...... of the to-be-decoded frame. Another key element is the Residual estimation, indicating the reliability of the SI, which is used to calculate the parameters of the correlation noise model between SI and original frame. In this thesis new methods for Inter-camera SI generation are analyzed in the Stereo...

Comment on: Negative ions, molecular electron affinity and orbital structure of cata-condensed polycyclic aromatic hydrocarbons by Rustem V. Khatymov, Mars V. Muftakhov and Pavel V. Shchukin.

Science.gov (United States)

Chen, Edward S; Chen, Edward C M

2018-02-15

The anion mass spectral lifetimes for several aromatic hydrocarbons reported in the subject article were related to significantly different electron affinities. The different values are rationalized using negative ion mass spectral data. Electron affinities for polycyclic aromatic hydrocarbons are reported from the temperature dependence of unpublished electron capture detector data. These are compared with published values and the largest values are assigned to the ground state. The ground state adiabatic electron affinities: (eV) pentacene, 1.41 (3); tetracene, 1.058 (5); benz(a)pyrene, 0.82 (4); benz(a) anthracene, 0.69 (2) anthracene, 0.68 (2); and pyrene, 0.59 (1) are used to assign excited state adiabatic electron affinities: (eV) tetracene: 0.88 (4); anthracene 0.53 (1); pyrene, 0.41 (1); benz(a)anthracene, 0.39 (10); chrysene, 0.32 (1); and phenanthrene, 0.12 (2) and ground state adiabatic electron affinities: (eV) dibenz(a,j)anthracene, 0.69 (3); dibenz(a,h)anthracene, 0.68 (3); benz(e)pyrene, 0.60 (3); and picene, 0.59 (3) from experimental data. The lifetime of benz(a)pyrene is predicted to be larger than 150 μs and for benzo(c)phenanthrene and picene about 40 μs, from ground state adiabatic electron affinities. The assignments of adiabatic electron affinities of aromatic hydrocarbons determined from electron capture detector and mass spectrometric data to ground and excited states are supported by constant electronegativities. A set of consistent ground state adiabatic electron affinities for 15 polycyclic aromatic hydrocarbons is related to lifetimes from the subject article. Copyright © 2017 John Wiley & Sons, Ltd.

Coding theory on the m-extension of the Fibonacci p-numbers

International Nuclear Information System (INIS)

Basu, Manjusri; Prasad, Bandhu

2009-01-01

In this paper, we introduce a new Fibonacci G p,m matrix for the m-extension of the Fibonacci p-numbers where p (≥0) is integer and m (>0). Thereby, we discuss various properties of G p,m matrix and the coding theory followed from the G p,m matrix. In this paper, we establish the relations among the code elements for all values of p (nonnegative integer) and m(>0). We also show that the relation, among the code matrix elements for all values of p and m=1, coincides with the relation among the code matrix elements for all values of p [Basu M, Prasad B. The generalized relations among the code elements for Fibonacci coding theory. Chaos, Solitons and Fractals (2008). doi: 10.1016/j.chaos.2008.09.030]. In general, correct ability of the method increases as p increases but it is independent of m.

Structural dynamics in LMFBR containment analysis. A brief survey of computational methods and codes

International Nuclear Information System (INIS)

Chang, Y.W.

1977-01-01

This paper gives a brief survey of the computational methods and codes available for LMFBR containment analysis. The various numerical methods commonly used in the computer codes are compared. It provides the reactor engineers to up-to-date information on the development of structural dynamics in LMFBR containment analysis. It can also be used as a basis for the selection of the numerical method in the future code development. First, the commonly used finite-difference expressions in the Lagrangian codes will be compared. Sample calculations will be used as a basis for discussing and comparing the accuracy of the various finite-difference representations. The distortion of the meshes will also be compared; the techniques used for eliminating the numerical instabilities will be discussed and compared using examples. Next, the numerical methods used in the Eulerian formulation will be compared, first among themselves and then with the Lagrangian formulations. Special emphasis is placed on the effect of mass diffusion of the Eulerian calculation on the propagation of discontinuities. Implicit and explicit numerical integrations will be discussed and results obtained from these two techniques will be compared. Then, the finite-element methods are compared with the finite-difference methods. The advantages and disadvantages of the two methods will be discussed in detail, together with the versatility and ease of application of the method to containment analysis having complex geometries. It will also be shown that the finite-element equations for a constant-pressure fluid element is identical to the finite-difference equations using contour integrations. Finally, conclusions based on this study will be given

Construction of hexahedral elements mesh capturing realistic geometries of Bayou Choctaw SPR site

Energy Technology Data Exchange (ETDEWEB)

Park, Byoung Yoon [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Roberts, Barry L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-09-01

The three-dimensional finite element mesh capturing realistic geometries of Bayou Choctaw site has been constructed using the sonar and seismic survey data obtained from the field. The mesh is consisting of hexahedral elements because the salt constitutive model is coded using hexahedral elements. Various ideas and techniques to construct finite element mesh capturing artificially and naturally formed geometries are provided. The techniques to reduce the number of elements as much as possible to save on computer run time with maintaining the computational accuracy is also introduced. The steps and methodologies could be applied to construct the meshes of Big Hill, Bryan Mound, and West Hackberry strategic petroleum reserve sites. The methodology could be applied to the complicated shape masses for not only various civil and geological structures but also biological applications such as artificial limbs.

Data Element Registry Services

Data.gov (United States)

U.S. Environmental Protection Agency — Data Element Registry Services (DERS) is a resource for information about value lists (aka code sets / pick lists), data dictionaries, data elements, and EPA data...

Validity of M-3Y force equivalent G-matrix elements for calculations of the nuclear structure in heavy mass region

International Nuclear Information System (INIS)

Cheng Lan; Huang Weizhi; Zhou Baosen

1996-01-01

Using the matrix elements of M-3Y force as the equivalent G-matrix elements, the spectra of 210 Pb, 206 Pb, 206 Hg and 210 Po are calculated in the framework of the Folded Diagram Method. The results show that such equivalent matrix elements are suitable for microscopic calculations of the nuclear structure in heavy mass region

Determination of the distribution of uranium and the transuranic elements in the environment by thermal ionization mass spectrometry

International Nuclear Information System (INIS)

Chastagner, P.

1987-01-01

Protection of the world population from releases of uranium, plutonium, and other transuranic materials requires, among other things, a knowledge of the sources, transport, and distribution of these elements in the environment. Both isotopic and quantitative analytical data are required in the determination of these factors. Also, the analyses must be precise and accurate enough to distinguish newly released material from older material such as the worldwide deposits from atmospheric weapons testing. For this reason, uranium, neptunium, and plutonium and other transuranic elements in the environment are routinely determined by high-sensitivity thermal ionization mass spectrometric techniques. With current instrumentation and techniques, routine isotope dilution and isotopic analyses are made with purified elemental samples as small as 2 x 10 -14 g. The detection limit for uranium and most of the transuranic isotopes is ∼ 5 x 10 18 g (∼ 13,000 atoms), which is at least an order of magnitude better than the detection limits of the radiometric counting techniques normally employed. The mass spectral sensitivities are equal for all of the isotopes of a given element but vary from element to element. Thus, each elemental sample must be highly purified. Separation techniques recover ∼ 80% of the uranium and the transuranic material from soils and other materials. Interelement separation factors > 10 5 are achieved with advanced ion exchange methods. Results of recent application of these techniques at the Savannah River Lab. and other laboratories are include

The management-retrieval code of the sub-library of atomic mass and characteristic constants for nuclear ground state

International Nuclear Information System (INIS)

Su Zongdi; Ma Lizhen

1994-01-01

The management code of the sub-library of atomic mass and characteristic constants for nuclear ground state (MCC) is used for displaying the basic information on the MCC sub-library on the screen, and retrieving the required data. The MCC data file contains the data of 4800 nuclides ranging from Z 0, A = 1 to Z = 122, A = 318. The MCC sub-library has been set up at Chinese Nuclear Data Center (CNDC), and has been used to provide the atomic masses and characteristic constants of nuclear ground states for the nuclear model calculation, nuclear data evaluations and other fields

[Determination of Heavy Metal Elements in Diatomite Filter Aid by Inductively Coupled Plasma Mass Spectrometry].

Science.gov (United States)

Nie, Xi-du; Fu, Liang

2015-11-01

This study established a method for determining Be, Cr, Ni, As, Cd, Sb, Sn, Tl, Hg and Pb, total 10 heavy metals in diatomite filter aid. The diatomite filter aid was digested by using the mixture acid of HNO₃ + HF+ H₃PO₄ in microwave system, 10 heavy metals elements were determined by inductively coupled plasma mass spectrometry (ICP-MS). The interferences of mass spectrometry caused by the high silicon substrate were optimized, first the equipment parameters and isotopes of test metals were selected to eliminate these interferences, the methane was selected as reactant gas, and the mass spectral interferences were eliminated by dynamic reaction cell (DRC). Li, Sc, Y, In and Bi were selected as the internal standard elements to correct the interferences caused by matrix and the drift of sensitivity. The results show that the detection limits for analyte is in the range of 3.29-15.68 ng · L⁻¹, relative standard deviations (RSD) is less than 4.62%, and the recovery is in the range of 90.71%-107.22%. The current method has some advantages such as, high sensitivity, accurate, and precision, which can be used in diatomite filter aid quality control and safety estimations.

A new coding concept for fast ultrasound imaging using pulse trains

DEFF Research Database (Denmark)

Misaridis, T.; Jensen, Jørgen Arendt

2002-01-01

Frame rate in ultrasound imaging can he increased by simultaneous transmission of multiple beams using coded waveforms. However, the achievable degree of orthogonality among coded waveforms is limited in ultrasound, and the image quality degrades unacceptably due to interbeam interference....... In this paper, an alternative combined time-space coding approach is undertaken. In the new method all transducer elements are excited with short pulses and the high time-bandwidth (TB) product waveforms are generated acoustically. Each element transmits a short pulse spherical wave with a constant transmit...... delay from element to element, long enough to assure no pulse overlapping for all depths in the image. Frequency shift keying is used for "per element" coding. The received signals from a point scatterer are staggered pulse trains which are beamformed for all beam directions and further processed...

Representations of affine Hecke algebras

CERN Document Server

Xi, Nanhua

1994-01-01

Kazhdan and Lusztig classified the simple modules of an affine Hecke algebra Hq (q E C*) provided that q is not a root of 1 (Invent. Math. 1987). Ginzburg had some very interesting work on affine Hecke algebras. Combining these results simple Hq-modules can be classified provided that the order of q is not too small. These Lecture Notes of N. Xi show that the classification of simple Hq-modules is essentially different from general cases when q is a root of 1 of certain orders. In addition the based rings of affine Weyl groups are shown to be of interest in understanding irreducible representations of affine Hecke algebras. Basic knowledge of abstract algebra is enough to read one third of the book. Some knowledge of K-theory, algebraic group, and Kazhdan-Lusztig cell of Cexeter group is useful for the rest

Tuning iteration space slicing based tiled multi-core code implementing Nussinov's RNA folding.

Science.gov (United States)

Palkowski, Marek; Bielecki, Wlodzimierz

2018-01-15

RNA folding is an ongoing compute-intensive task of bioinformatics. Parallelization and improving code locality for this kind of algorithms is one of the most relevant areas in computational biology. Fortunately, RNA secondary structure approaches, such as Nussinov's recurrence, involve mathematical operations over affine control loops whose iteration space can be represented by the polyhedral model. This allows us to apply powerful polyhedral compilation techniques based on the transitive closure of dependence graphs to generate parallel tiled code implementing Nussinov's RNA folding. Such techniques are within the iteration space slicing framework - the transitive dependences are applied to the statement instances of interest to produce valid tiles. The main problem at generating parallel tiled code is defining a proper tile size and tile dimension which impact parallelism degree and code locality. To choose the best tile size and tile dimension, we first construct parallel parametric tiled code (parameters are variables defining tile size). With this purpose, we first generate two nonparametric tiled codes with different fixed tile sizes but with the same code structure and then derive a general affine model, which describes all integer factors available in expressions of those codes. Using this model and known integer factors present in the mentioned expressions (they define the left-hand side of the model), we find unknown integers in this model for each integer factor available in the same fixed tiled code position and replace in this code expressions, including integer factors, with those including parameters. Then we use this parallel parametric tiled code to implement the well-known tile size selection (TSS) technique, which allows us to discover in a given search space the best tile size and tile dimension maximizing target code performance. For a given search space, the presented approach allows us to choose the best tile size and tile dimension in

Production and Characterization of Desmalonichrome Relative Binding Affinity for Uranyl Ions in Relation to Other Siderophores

Energy Technology Data Exchange (ETDEWEB)

Mo, Kai-For; Dai, Ziyu; Wunschel, David S.

2016-06-24

Siderophores are Fe binding secondary metabolites that have been investigated for their uranium binding properties. Much of the previous work has focused on characterizing hydroxamate types of siderophores, such as desferrioxamine B, for their uranyl binding affinity. Carboxylate forms of these metabolites hold potential to be more efficient chelators of uranyl, yet they have not been widely studied and are more difficult to obtain. Desmalonichrome is a carboxylate siderophore which is not commercially available and so was obtained from the ascomycete fungus Fusarium oxysporum cultivated under Fe depleted conditions. The relative affinity for uranyl binding of desmalonichrome was investigated using a competitive analysis of binding affinities between uranyl acetate and different concentrations of iron(III) chloride using electrospray ionization mass spectrometry (ESI-MS). In addition to desmalonichrome, three other siderophores, including two hydroxamates (desferrioxamine B and desferrichrome) and one carboxylate (desferrichrome A) were studied to understand their relative affinities for the uranyl ion at two pH values. The binding affinities of hydroxymate siderophores to uranyl ion were found to decrease to a greater degree at lower pH as the concentration of Fe (III) ion increases. On the other hand, lowering pH has little impact on the binding affinities between carboxylate siderophores and uranyl ion. Desmalonichrome was shown to have the greatest relative affinity for uranyl at any pH and Fe(III) concentration. These results suggest that acidic functional groups in the ligands are critical for strong chelation with uranium at lower pH.

Code package to analyse behavior of the WWER fuel rods in normal operation: TOPRA's code

International Nuclear Information System (INIS)

Scheglov, A.; Proselkov, V.

2001-01-01

This paper briefly describes the code package intended for analysis of WWER fuel rod characteristics. The package includes two computer codes: TOPRA-1 and TOPRA-2 for full-scale fuel rod analyses; MRZ and MKK codes for analyzing the separate sections of fuel rods in r-z and r-j geometry. The TOPRA's codes are developed on the base of PIN-mod2 version and verified against experimental results obtained in MR, MIR and Halden research reactors (in the framework of SOFIT, FGR-2 and FUMEX experimental programs). Comparative analysis of calculation results and results from post-reactor examination of the WWER-440 and WWER-1000 fuel rod are also made as additional verification of these codes. To avoid the enlarging of uncertainties in fuel behavior prediction as a result of simplifying of the fuel geometry, MKK and MRZ codes are developed on the basis of the finite element method with use of the three nodal finite elements. Results obtained in the course of the code verification indicate the possibility for application of the method and TOPRA's code for simplified engineering calculations of WWER fuel rods thermal-physical parameters. An analysis of maximum relative errors for predicting of the fuel rod characteristics in the range of the accepted parameter values is also presented in the paper

On the equivalence of cyclic and quasi-cyclic codes over finite fields

Directory of Open Access Journals (Sweden)

Kenza Guenda

2017-07-01

Full Text Available This paper studies the equivalence problem for cyclic codes of length $p^r$ and quasi-cyclic codes of length $p^rl$. In particular, we generalize the results of Huffman, Job, and Pless (J. Combin. Theory. A, 62, 183--215, 1993, who considered the special case $p^2$. This is achieved by explicitly giving the permutations by which two cyclic codes of prime power length are equivalent. This allows us to obtain an algorithm which solves the problem of equivalency for cyclic codes of length $p^r$ in polynomial time. Further, we characterize the set by which two quasi-cyclic codes of length $p^rl$ can be equivalent, and prove that the affine group is one of its subsets.

The Monitoring and Affinity Purification of Proteins Using Dual Tags with Tetracysteine Motifs

Science.gov (United States)

Giannone, Richard J.; Liu, Yie; Wang, Yisong

Identification and characterization of protein-protein interaction networks is essential for the elucidation of biochemical mechanisms and cellular function. Affinity purification in combination with liquid chromatography-tandem mass spectrometry (LC-MS/MS) has emerged as a very powerful tactic for the identification of specific protein-protein interactions. In this chapter, we describe a comprehensive methodology that uses our recently developed dual-tag affinity purification system for the enrichment and identification of mammalian protein complexes. The protocol covers a series of separate but sequentially related techniques focused on the facile monitoring and purification of a dual-tagged protein of interest and its interacting partners via a system built with tetracysteine motifs and various combinations of affinity tags. Using human telomeric repeat binding factor 2 (TRF2) as an example, we demonstrate the power of the system in terms of bait protein recovery after dual-tag affinity purification, detection of bait protein subcellular localization and expression, and successful identification of known and potentially novel TRF2 interacting proteins. Although the protocol described here has been optimized for the identification and characterization of TRF2-associated proteins, it is, in principle, applicable to the study of any other mammalian protein complexes that may be of interest to the research community.

Antisymmetric tensor generalizations of affine vector fields.

Science.gov (United States)

Houri, Tsuyoshi; Morisawa, Yoshiyuki; Tomoda, Kentaro

2016-02-01

Tensor generalizations of affine vector fields called symmetric and antisymmetric affine tensor fields are discussed as symmetry of spacetimes. We review the properties of the symmetric ones, which have been studied in earlier works, and investigate the properties of the antisymmetric ones, which are the main theme in this paper. It is shown that antisymmetric affine tensor fields are closely related to one-lower-rank antisymmetric tensor fields which are parallelly transported along geodesics. It is also shown that the number of linear independent rank- p antisymmetric affine tensor fields in n -dimensions is bounded by ( n + 1)!/ p !( n - p )!. We also derive the integrability conditions for antisymmetric affine tensor fields. Using the integrability conditions, we discuss the existence of antisymmetric affine tensor fields on various spacetimes.

Manifolds with integrable affine shape operator

Directory of Open Access Journals (Sweden)

Daniel A. Joaquín

2005-05-01

Full Text Available This work establishes the conditions for the existence of vector fields with the property that theirs covariant derivative, with respect to the affine normal connection, be the affine shape operatorS in hypersurfaces. Some results are obtained from this property and, in particular, for some kind of affine decomposable hypersurfaces we explicitely get the actual vector fields.

Development of MCNP interface code in HFETR

International Nuclear Information System (INIS)

Qiu Liqing; Fu Rong; Deng Caiyu

2007-01-01

In order to describe the HFETR core with MCNP method, the interface code MCNPIP for HFETR and MCNP code is developed. This paper introduces the core DXSY and flowchart of MCNPIP code, and the handling of compositions of fuel elements and requirements on hardware and software. Finally, MCNPIP code is validated against the practical application. (authors)

Properties of non-coding DNA and identification of putative cis-regulatory elements in Theileria parva

Directory of Open Access Journals (Sweden)

Guo Xiang

2008-12-01

Full Text Available Abstract Background Parasites in the genus Theileria cause lymphoproliferative diseases in cattle, resulting in enormous socio-economic losses. The availability of the genome sequences and annotation for T. parva and T. annulata has facilitated the study of parasite biology and their relationship with host cell transformation and tropism. However, the mechanism of transcriptional regulation in this genus, which may be key to understanding fundamental aspects of its parasitology, remains poorly understood. In this study, we analyze the evolution of non-coding sequences in the Theileria genome and identify conserved sequence elements that may be involved in gene regulation of these parasitic species. Results Intergenic regions and introns in Theileria are short, and their length distributions are considerably right-skewed. Intergenic regions flanked by genes in 5'-5' orientation tend to be longer and slightly more AT-rich than those flanked by two stop codons; intergenic regions flanked by genes in 3'-5' orientation have intermediate values of length and AT composition. Intron position is negatively correlated with intron length, and positively correlated with GC content. Using stringent criteria, we identified a set of high-quality orthologous non-coding sequences between T. parva and T. annulata, and determined the distribution of selective constraints across regions, which are shown to be higher close to translation start sites. A positive correlation between constraint and length in both intergenic regions and introns suggests a tight control over length expansion of non-coding regions. Genome-wide searches for functional elements revealed several conserved motifs in intergenic regions of Theileria genomes. Two such motifs are preferentially located within the first 60 base pairs upstream of transcription start sites in T. parva, are preferentially associated with specific protein functional categories, and have significant similarity to know

Structural elements design manual

CERN Document Server

Draycott, Trevor

2012-01-01

Gives clear explanations of the logical design sequence for structural elements. The Structural Engineer says: `The book explains, in simple terms, and with many examples, Code of Practice methods for sizing structural sections in timber, concrete,masonry and steel. It is the combination into one book of section sizing methods in each of these materials that makes this text so useful....Students will find this an essential support text to the Codes of Practice in their study of element sizing'.

Multicomponent mass transport model: a model for simulating migration of radionuclides in ground water

International Nuclear Information System (INIS)

Washburn, J.F.; Kaszeta, F.E.; Simmons, C.S.; Cole, C.R.

1980-07-01

This report presents the results of the development of a one-dimensional radionuclide transport code, MMT2D (Multicomponent Mass Transport), for the AEGIS Program. Multicomponent Mass Transport is a numerical solution technique that uses the discrete-parcel-random-wald (DPRW) method to directly simulate the migration of radionuclides. MMT1D accounts for: convection;dispersion; sorption-desorption; first-order radioactive decay; and n-membered radioactive decay chains. Comparisons between MMT1D and an analytical solution for a similar problem show that: MMT1D agrees very closely with the analytical solution; MMT1D has no cumulative numerical dispersion like that associated with solution techniques such as finite differences and finite elements; for current AEGIS applications, relatively few parcels are required to produce adequate results; and the power of MMT1D is the flexibility of the code in being able to handle complex problems for which analytical solution cannot be obtained. Multicomponent Mass Transport (MMT1D) codes were developed at Pacific Northwest Laboratory to predict the movement of radiocontaminants in the saturated and unsaturated sediments of the Hanford Site. All MMT models require ground-water flow patterns that have been previously generated by a hydrologic model. This report documents the computer code and operating procedures of a third generation of the MMT series: the MMT differs from previous versions by simulating the mass transport processes in systems with radionuclide decay chains. Although MMT is a one-dimensional code, the user is referred to the documentation of the theoretical and numerical procedures of the three-dimensional MMT-DPRW code for discussion of expediency, verification, and error-sensitivity analysis

Elemental analysis of coal by tandem laser induced breakdown spectroscopy and laser ablation inductively coupled plasma time of flight mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Dong, Meirong [School of Electric Power, South China University of Technology, Guangzhou, Guangdong 510640 (China); Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Oropeza, Dayana [Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Chirinos, José [Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Escuela de Química, Facultad de Ciencias, Universidad Central de Venezuela, Caracas 1041a (Venezuela, Bolivarian Republic of); González, Jhanis J. [Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Lu, Jidong [School of Electric Power, South China University of Technology, Guangzhou, Guangdong 510640 (China); Mao, Xianglei [Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Russo, Richard E., E-mail: RERusso@lbl.gov [Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States)

2015-07-01

The capabilities and analytical benefits of combined LIBS and LA-ICP-MS were evaluated for the analysis of coal samples. The ablation system consisted of a Nd:YAG laser operated 213 nm. A Czerny-turner spectrograph with ICCD detector and time-of-flight based mass spectrometer were utilized for LIBS and ICP-MS detection, respectively. This tandem approach allows simultaneous determination of major and minor elements (C, Si, Ca, Al, Mg), and trace elements (V, Ba, Pb, U, etc.) in the coal samples. The research focused on calibration strategies, specifically the use of univariate and multivariate data analysis on analytical performance. Partial least square regression (PLSR) was shown to minimize and compensate for matrix effects in the emission and mass spectra improving quantitative analysis by LIBS and LA-ICP-MS, respectively. The correlation between measurements from these two techniques demonstrated that mass spectral data combined with LIBS emission measurements by PLSR improved the accuracy and precision for quantitative analysis of trace elements in coal. - Highlights: • Tandem LIBS LA-ICP-MS • Simultaneous determination of major and minor elements and trace elements in the coal samples. • Extended Dynamic Range • Correlation between LIBS with LA-ICP-MS demonstrated improved the accuracy and precision for quantitative analysis of coal.

Elemental analysis of coal by tandem laser induced breakdown spectroscopy and laser ablation inductively coupled plasma time of flight mass spectrometry

International Nuclear Information System (INIS)

Dong, Meirong; Oropeza, Dayana; Chirinos, José; González, Jhanis J.; Lu, Jidong; Mao, Xianglei; Russo, Richard E.

2015-01-01

The capabilities and analytical benefits of combined LIBS and LA-ICP-MS were evaluated for the analysis of coal samples. The ablation system consisted of a Nd:YAG laser operated 213 nm. A Czerny-turner spectrograph with ICCD detector and time-of-flight based mass spectrometer were utilized for LIBS and ICP-MS detection, respectively. This tandem approach allows simultaneous determination of major and minor elements (C, Si, Ca, Al, Mg), and trace elements (V, Ba, Pb, U, etc.) in the coal samples. The research focused on calibration strategies, specifically the use of univariate and multivariate data analysis on analytical performance. Partial least square regression (PLSR) was shown to minimize and compensate for matrix effects in the emission and mass spectra improving quantitative analysis by LIBS and LA-ICP-MS, respectively. The correlation between measurements from these two techniques demonstrated that mass spectral data combined with LIBS emission measurements by PLSR improved the accuracy and precision for quantitative analysis of trace elements in coal. - Highlights: • Tandem LIBS LA-ICP-MS • Simultaneous determination of major and minor elements and trace elements in the coal samples. • Extended Dynamic Range • Correlation between LIBS with LA-ICP-MS demonstrated improved the accuracy and precision for quantitative analysis of coal

International codes and model intercomparison for intermediate energy activation yields

International Nuclear Information System (INIS)

Rolf, M.; Nagel, P.

1997-01-01

The motivation for this intercomparison came from data needs of accelerator-based waste transmutation, energy amplification and medical therapy. The aim of this exercise is to determine the degree of reliability of current nuclear reaction models and codes when calculating activation yields in the intermediate energy range up to 5000 MeV. Emphasis has been placed for a wide range of target elements ( O, Al, Fe, Co, Zr and Au). This work is mainly based on calculation of (P,xPyN) integral cross section for incident proton. A qualitative description of some of the nuclear models and code options employed is made. The systematics of graphical presentation of the results allows a quick quantitative measure of agreement or deviation. This code intercomparison highlights the fact that modeling calculations of energy activation yields may at best have uncertainties of a factor of two. The causes of such discrepancies are multi-factorial. Problems are encountered which are connected with the calculation of nuclear masses, binding energies, Q-values, shell effects, medium energy fission and Fermi break-up. (A.C.)

Metric-affine formalism of higher derivative scalar fields in cosmology

International Nuclear Information System (INIS)

Li, Mingzhe; Wang, Xiulian

2012-01-01

Higher derivative scalar field theories have received considerable attention for the potentially explanations of the initial state of the universe or the current cosmic acceleration which they might offer. They have also attracted many interests in the phenomenological studies of infrared modifications of gravity. These theories are mostly studied by the metric variational approach in which only the metric is the fundamental field to account for the gravitation. In this paper we study the higher derivative scalar fields with the metric-affine formalism where the affine connection is treated arbitrarily at the beginning. Because the higher derivative scalar fields couple to the connection directly in a covariant theory these two formalisms will lead to different results. These differences are suppressed by the powers of the Planck mass and are usually expected to have small effects. But in some cases they may cause non-negligible deviations. We show by a higher derivative dark energy model that the two formalisms lead to significantly different pictures of the future universe

Verification of the 2.00 WAPPA-B [Waste Package Performance Assessment-B version] code

International Nuclear Information System (INIS)

Tylock, B.; Jansen, G.; Raines, G.E.

1987-07-01

The old version of the Waste Package Performance Assessment (WAPPA) code has been modified into a new code version, 2.00 WAPPA-B. The input files and the results for two benchmarks at repository conditions are fully documented in the appendixes of the EA reference report. The 2.00 WAPPA-B version of the code is suitable for computation of barrier failure due to uniform corrosion; however, an improved sub-version, 2.01 WAPPA-B, is recommended for general use due to minor errors found in 2.00 WAPPA-B during its verification procedures. The input files and input echoes have been modified to include behavior of both radionuclides and elements, but the 2.00 WAPPA-B version of the WAPPA code is not recommended for computation of radionuclide releases. The 2.00 WAPPA-B version computes only mass balances and the initial presence of radionuclides that can be released. Future code development in the 3.00 WAPPA-C version will include radionuclide release computations. 19 refs., 10 figs., 1 tab

Affine LIBOR Models with Multiple Curves

DEFF Research Database (Denmark)

Grbac, Zorana; Papapantoleon, Antonis; Schoenmakers, John

2015-01-01

are specified following the methodology of the affine LIBOR models and are driven by the wide and flexible class of affine processes. The affine property is preserved under forward measures, which allows us to derive Fourier pricing formulas for caps, swaptions, and basis swaptions. A model specification...... with dependent LIBOR rates is developed that allows for an efficient and accurate calibration to a system of caplet prices....

Combining metal oxide affinity chromatography (MOAC and selective mass spectrometry for robust identification of in vivo protein phosphorylation sites

Directory of Open Access Journals (Sweden)

Weckwerth Wolfram

2005-11-01

Full Text Available Abstract Background Protein phosphorylation is accepted as a major regulatory pathway in plants. More than 1000 protein kinases are predicted in the Arabidopsis proteome, however, only a few studies look systematically for in vivo protein phosphorylation sites. Owing to the low stoichiometry and low abundance of phosphorylated proteins, phosphorylation site identification using mass spectrometry imposes difficulties. Moreover, the often observed poor quality of mass spectra derived from phosphopeptides results frequently in uncertain database hits. Thus, several lines of evidence have to be combined for a precise phosphorylation site identification strategy. Results Here, a strategy is presented that combines enrichment of phosphoproteins using a technique termed metaloxide affinity chromatography (MOAC and selective ion trap mass spectrometry. The complete approach involves (i enrichment of proteins with low phosphorylation stoichiometry out of complex mixtures using MOAC, (ii gel separation and detection of phosphorylation using specific fluorescence staining (confirmation of enrichment, (iii identification of phosphoprotein candidates out of the SDS-PAGE using liquid chromatography coupled to mass spectrometry, and (iv identification of phosphorylation sites of these enriched proteins using automatic detection of H3PO4 neutral loss peaks and data-dependent MS3-fragmentation of the corresponding MS2-fragment. The utility of this approach is demonstrated by the identification of phosphorylation sites in Arabidopsis thaliana seed proteins. Regulatory importance of the identified sites is indicated by conservation of the detected sites in gene families such as ribosomal proteins and sterol dehydrogenases. To demonstrate further the wide applicability of MOAC, phosphoproteins were enriched from Chlamydomonas reinhardtii cell cultures. Conclusion A novel phosphoprotein enrichment procedure MOAC was applied to seed proteins of A. thaliana and to

Affinity Programs and the Real Estate Brokerage Industry

OpenAIRE

G Stacy Sirmans; David A. Macpherson

2001-01-01

This study surveys active real estate brokers obtaining information on involvement in affinity programs and referral/relocation networks. Some results regarding affinity involvement are: (a) 13% of respondents reported affinity affilliations, 75% reported no affiliations, and 12% indicated plans to become involved within the next year; (b) about half having affinity affiliations were involved with 2-4 groups; (c) affinity relationships were most often with membership organizations, corporatio...

Structural evaluation method for class 1 vessels by using elastic-plastic finite element analysis in code case of JSME rules on design and construction

International Nuclear Information System (INIS)

Asada, Seiji; Hirano, Takashi; Nagata, Tetsuya; Kasahara, Naoto

2008-01-01

A structural evaluation method by using elastic-plastic finite element analysis has been developed and published as a code case of Rules on Design and Construction for Nuclear Power Plants (The First Part: Light Water Reactor Structural Design Standard) in the JSME Codes for Nuclear Power Generation Facilities. Its title is 'Alternative Structural Evaluation Criteria for Class 1 Vessels Based on Elastic-Plastic Finite Element Analysis' (NC-CC-005). This code case applies elastic-plastic analysis to evaluation of such failure modes as plastic collapse, thermal ratchet, fatigue and so on. Advantage of this evaluation method is free from stress classification, consistently use of Mises stress and applicability to complex 3-dimensional structures which are hard to be treated by the conventional stress classification method. The evaluation method for plastic collapse has such variation as the Lower Bound Approach Method, Twice-Elastic-Slope Method and Elastic Compensation Method. Cyclic Yield Area (CYA) based on elastic analysis is applied to screening evaluation of thermal ratchet instead of secondary stress evaluation, and elastic-plastic analysis is performed when the CYA screening criteria is not satisfied. Strain concentration factors can be directly calculated based on elastic-plastic analysis. (author)

Elemental labelling combined with liquid chromatography inductively coupled plasma mass spectrometry for quantification of biomolecules: A review

Science.gov (United States)

Kretschy, Daniela; Koellensperger, Gunda; Hann, Stephan

2012-01-01

This article reviews novel quantification concepts where elemental labelling is combined with flow injection inductively coupled plasma mass spectrometry (FI-ICP-MS) or liquid chromatography inductively coupled plasma mass spectrometry (LC–ICP-MS), and employed for quantification of biomolecules such as proteins, peptides and related molecules in challenging sample matrices. In the first sections an overview on general aspects of biomolecule quantification, as well as of labelling will be presented emphasizing the potential, which lies in such methodological approaches. In this context, ICP-MS as detector provides high sensitivity, selectivity and robustness in biological samples and offers the capability for multiplexing and isotope dilution mass spectrometry (IDMS). Fundamental methodology of elemental labelling will be highlighted and analytical, as well as biomedical applications will be presented. A special focus will lie on established applications underlining benefits and bottlenecks of such approaches for the implementation in real life analysis. Key research made in this field will be summarized and a perspective for future developments including sophisticated and innovative applications will given. PMID:23062431

Device for determining element contents of lignite mass flows by activation analysis

International Nuclear Information System (INIS)

Goeldner, R.; Maul, E.; Rose, W.; Wagner, D.

1987-01-01

A simple device is presented, apt for continuous operation, to determine the element contents of bulk goods of flowable materials with a suitable granularity, in particular of lignite mass flows to assess the coal quality. Several kilograms of samples can be reproducibly dosed and homogeneously activated by a device consisting of a shielding container with activation chamber and radiation source, a measuring unit with detectors, and a source container, and characterized by a blade wheel in the activation chamber which causes the dosing and homogeneous activation of the sample

Multielement determination of rare earth elements in rock sample by liquid chromatography / inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Hamanaka, Tadashi; Itoh, Akihide; Itoh, Shinya; Sawatari, Hideyuki; Haraguchi, Hiroki.

1995-01-01

Rare earth elements in geological standard rock sample JG-1 (granodiolite)issued from the Geological Survey of Japan have been determined by a combined system of liquid chromatography and inductively coupled plasma mass spectrometry. (author)

Can laser-ionisation time-of-flight mass spectrometry be a promising alternative to laser ablation/inductively-coupled plasma mass spectrometry and glow discharge mass spectrometry for the elemental analysis of solids?

NARCIS (Netherlands)

Sysoev, AA; Sysoev, AA

2002-01-01

At the beginning of the age of laser-ionisation mass spectrometry (LIMS) increasing numbers of publications were observed. However, later the method began to run into obstacles associated with poor reproducibility of analysis and large variations in elemental sensitivities so that the wide interest

Relationship between strains of tumor-bearing animals and the tumor affinity of /sup 169/Yb and /sup 67/Ga

Energy Technology Data Exchange (ETDEWEB)

Ando, A; Hiraki, T [Kanazawa Univ. (Japan). School of Paramedicine; Hisada, K; Ando, I; Ugiie, T

1975-02-01

It is well a well-known fact that ytterbium-169 is a strong bone seeking element. We have already reported that this element was concentrated in nonosseous tumor tissues and that its tumor affinity was stronger than that of gallium-67 in our previous experiment using Yoshida sarcoma-bearing rats. Ytterbium-169 citrate and gallium-67 citrate were compared in four strains of tumor-bearing rats and mice. The uptake rate of ytterbium-169 in tumor tissues was much larger than that of gallium-67 in Ehrlich cancer-bearing mice, but these values of ytterbium-169 were slightly smaller than those of gallium-67 in Yoshida sarcoma-bearing rats, Walker carcinosarcoma 256-bearing rats and sarcoma 180-bearing mice. Tumor to organ ratios of ytterbium-169, which were most important for tumor scanning agents, were much larger than those of gallium-67 in all four strains except for the tumor to bone ratio of ytterbium-169. From the above-described facts, it was shown that ytterbium-169 citrate had a stronger tumor affinity than did gallium-67 citrate and that the tumor affinity of ytterbium-169 citrate was similar in each of these four strains of tumor-bearing animals.

Mass and element balance in food waste composting facilities.

Science.gov (United States)

Zhang, Huijun; Matsuto, Toshihiko

2010-01-01

The mass and element balance in municipal solid waste composting facilities that handle food waste was studied. Material samples from the facilities were analyzed for moisture, ash, carbon, nitrogen, and the oxygen consumption of compost and bulking material was determined. Three different processes were used in the food waste composting facilities: standard in-vessel composting, drying, and stand-alone composting machine. Satisfactory results were obtained for the input/output ash balance despite several assumptions made concerning the quantities involved. The carbon/nitrogen ratio and oxygen consumption values for compost derived only from food waste were estimated by excluding the contribution of the bulking material remaining in the compost product. These estimates seemed to be suitable indices for the biological stability of compost because there was a good correlation between them, and because the values seemed logical given the operating conditions at the facilities. 2010 Elsevier Ltd. All rights reserved.

Determination of the electron affinity of astatine and polonium by laser photodetachment

CERN Multimedia

We propose to conduct the first electron affinity (EA) measurements of the two elements astatine (At) and polonium (Po). Collinear photo-detachment spectroscopy will allow us to measure these quantities with an uncertainty limited only by the spectral line width of the laser. We plan to use negative ion beams of the two radioactive elements At and Po, which are only accessible on-line and at ISOLDE. The feasibility of our proposed method and the functionality of the experimental setup have been demonstrated at ISOLDE in off-line tests by the clear observation of the photo-detachment threshold for stable iodine. This proposal is based on our Letter of Intent I-148.

Calibration of the CAFE-3D fire code with controlled indoor fire data

International Nuclear Information System (INIS)

Lopez, C.; Koski, J.A.; Khalil, I.; Suo-Anttila, A.

2004-01-01

The Container Analysis Fire Environment (CAFE) code contains a computational fluid dynamics (CFD) based fire model that has been successfully coupled to standard finite element computer codes. This coupling of CFD and finite element codes allows for a more realistic modeling of the thermal performance of objects engulfed in fire, which aids in the design and risk analysis of radioactive material packages. The CAFE fire model is based on a three-dimensional finite volume formulation of basic fire chemistry and fluid dynamics. This fire model includes a variable-density primitive-variable formulation of mass, momentum, energy and species equations. Multiple chemical species and soot formation are included in the combustion model. Thermal radiation is modeled as diffusive radiation transport inside the flame zone and as view-factor radiation outside the flame zone. Turbulence is modeled with an eddy diffusivity model. The soot model is coupled to the diffusive radiation formulation using the Rosseland approximation and the optical properties of soot. In order to verify and improve the accuracy of computers codes, they should be benchmarked against test data. This paper describes a set of experiments that were performed at the Fire Laboratory for Accreditation of Modeling by Experiment (FLAME) fire facility of Sandia National Laboratories in Albuquerque, New Mexico, USA. The paper also describes how the data collected from the experiments was used to calibrate and benchmark the CAFE-3D fire code. Detailed description of the tests performed and comparisons between the calculated results and the collected data from the experiments are provided

2D elemental mapping of sections of human kidney stones using laser ablation inductively-coupled plasma-mass spectrometry: Possibilities and limitations

Energy Technology Data Exchange (ETDEWEB)

Vašinová Galiová, Michaela [Department of Chemistry, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Central European Institute of Technology (CEITEC), Masaryk University, Kamenice 5, 625 00 Brno (Czech Republic); Čopjaková, Renata; Škoda, Radek [Department of Geological Sciences, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Štěpánková, Kateřina; Vaňková, Michaela [Department of Chemistry, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Kuta, Jan [Research Centre for Toxic Compounds in the Environment (RECETOX), Masaryk University, Kamenice 126/3, 625 00 Brno (Czech Republic); Prokeš, Lubomír [Department of Chemistry, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Department of Physical Electronics, Faculty of Science, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Kynický, Jindřich [Department of Pedology and Geology, Faculty of Forestry and Wood Technology, Mendel University in Brno, Zemědělská 3, 613 00 Brno (Czech Republic); and others

2014-10-01

A 213 nm Nd:YAG-based laser ablation (LA) system coupled to quadrupole-based inductively coupled plasma-mass spectrometer and an ArF* excimer-based LA-system coupled to a double-focusing sector field inductively coupled plasma-mass spectrometer were employed to study the spatial distribution of various elements in kidney stones (uroliths). Sections of the surfaces of uroliths were ablated according to line patterns to investigate the elemental profiles for the different urolith growth zones. This exploratory study was mainly focused on the distinguishing of the main constituents of urinary calculus fragments by means of LA-ICP-mass spectrometry. Changes in the ablation rate for oxalate and phosphate phases related to matrix density and hardness are discussed. Elemental association was investigated on the basis of 2D mapping. The possibility of using NIST SRM 1486 Bone Meal as an external standard for calibration was tested. It is shown that LA-ICP-MS is helpful for determination of the mineralogical composition and size of all phases within the analyzed surface area, for tracing down elemental associations and for documenting the elemental content of urinary stones. LA-ICP-MS results (elemental contents and maps) are compared to those obtained with electron microprobe analysis and solution analysis ICP-MS. - Highlights: • Elements in phosphate and oxalate urolith phases were quantified by LA-ICP-MS. • SRM NIST 1486 Bone Meal was proved suitable for quantification in uroliths. • Different ablation rates in particular phases were included at quantification. • Oxalate and apatite phases show opposite hardness order to natural minerals. • Uroliths were classified according to elemental association to phases.

[Study on the determination of 14 inorganic elements in coffee by inductively coupled plasma mass spectrometry].

Science.gov (United States)

Nie, Xi-Du; Fu, Liang

2013-07-01

Samples of coffee were digested by microwave digestion, and inorganic elements amounts of Na, Mg, P, Ca, Cr, Mn, Fe, Co, Cu, Zn, As, Se, Mo and Pb in sample solutions were determined by inductively coupled plasma mass spectrometry (ICP-MS). HNO3 + H2O2 was used to achieve the complete decomposition of the organic matrix in a closed-vessel microwave oven. The working parameters of the instrument were optimized. The results showed that the relative standard deviation (RSD) was less than 3.84% for all the elements, and the recovery was found to be 92.00% -106.52% by adding standard recovery experiment. This method was simple, sensitive and precise and can perform simultaneous multi-elements determination of coffee, which could satisfy the sample examination request and provide scientific rationale for determining inorganic elements of coffee.

Investigations on the direct introduction of cigarette smoke for trace elements analysis by inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Chang, Michael J.; Naworal, John D.; Walker, Kathleen; Connell, Chris T.

2003-01-01

Direct introduction of mainstream cigarette smoke into an inductively coupled plasma mass spectrometry (ICP-MS) has been investigated with respect to its feasibility for on-line analysis of trace elements. An automated apparatus was designed and built interfacing a smoking machine with an ICP-MS for smoke generation, collection, injection and analysis. Major and minor elements present in the particulate phase and the gas phase of mainstream cigarette smoke of 2R4F reference cigarettes have been qualitatively identified by examination of their full mass spectra. This method provides a rapid-screening analysis of the transfer of trace elements into mainstream smoke during cigarette combustion. A full suite of elements present in the whole cigarette smoke has been identified, including As, B, Ba, Br, Cd, Cl, Cs, Cu, Hg, I, K, Li, Mn, Na, Pb, Rb, Sb, Sn, Tl and Zn. Of these elements, the major portions of B, Ba, Cs, Cu, K, Li, Mn, Na, Pb, Rb, Sn, Tl and Zn are present in the particulate phase, whereas the major portion of Hg is present in the gas phase. As, Br, Cd, Cl, I and Sb exist in a distribution between the gas phase and the particulate phase. Depending on the element, the precision of measurement ranges from 5 to 25% in terms of relative standard deviation of peak height and peak area, based on the fourth puff of 2R4F mainstream cigarette smoke analyzed in five smoking replicates

Engineering of bispecific affinity proteins with high affinity for ERBB2 and adaptable binding to albumin.

Directory of Open Access Journals (Sweden)

Johan Nilvebrant

Full Text Available The epidermal growth factor receptor 2, ERBB2, is a well-validated target for cancer diagnostics and therapy. Recent studies suggest that the over-expression of this receptor in various cancers might also be exploited for antibody-based payload delivery, e.g. antibody drug conjugates. In such strategies, the full-length antibody format is probably not required for therapeutic effect and smaller tumor-specific affinity proteins might be an alternative. However, small proteins and peptides generally suffer from fast excretion through the kidneys, and thereby require frequent administration in order to maintain a therapeutic concentration. In an attempt aimed at combining ERBB2-targeting with antibody-like pharmacokinetic properties in a small protein format, we have engineered bispecific ERBB2-binding proteins that are based on a small albumin-binding domain. Phage display selection against ERBB2 was used for identification of a lead candidate, followed by affinity maturation using second-generation libraries. Cell surface display and flow-cytometric sorting allowed stringent selection of top candidates from pools pre-enriched by phage display. Several affinity-matured molecules were shown to bind human ERBB2 with sub-nanomolar affinity while retaining the interaction with human serum albumin. Moreover, parallel selections against ERBB2 in the presence of human serum albumin identified several amino acid substitutions that dramatically modulate the albumin affinity, which could provide a convenient means to control the pharmacokinetics. The new affinity proteins competed for ERBB2-binding with the monoclonal antibody trastuzumab and recognized the native receptor on a human cancer cell line. Hence, high affinity tumor targeting and tunable albumin binding were combined in one small adaptable protein.

The element analysis of high purity beryllium by method of laser mass-spectrometry

International Nuclear Information System (INIS)

Virich, V.D.; Kisel', O.V.; Kovtun, K.V.; Pugachev, N.S.; Yakobson, L.A.

2003-01-01

The operation is devoted to examination of a possibility of the analysis of element composition pure and high purity model of a beryllium is model by a method of laser mass spectrometry. The advantages of a method in a part of finding of a small amount of admixtures in comparison with other modes of the analysis are exhibited. The possibility of quantitative definition of a content in beryllium samples of gas-making admixtures-C,N,O surveyed

Determination of isotope ratio of elements by mass distribution in molecules of varied chemical compounds

International Nuclear Information System (INIS)

Gladkikh, I.S.; Babichev, A.P.

1999-01-01

The procedure and program for calculation of isotope ratio of elements involving in the compound being studied using data of mass spectrometry were elaborated. The methods developed for the O 2 , SiH 4 , Cd(CH 3 ) 2 molecules were demonstrated for the illustration. The results of calculation provide support for the efficiency of the program and satisfactory reliability of the results during calculation of the isotope and complex compound concentrations. The program may be used for the estimation of the degree of nonequilibrium isotope distributions, it may indicate on the errors of the mass spectroscopy results [ru

Using Affinity Diagrams to Evaluate Interactive Prototypes

DEFF Research Database (Denmark)

Lucero, Andrés

2015-01-01

our particular use of affinity diagramming in prototype evaluations. We reflect on a decade’s experience using affinity diagramming across a number of projects, both in industry and academia. Our affinity diagramming process in interaction design has been tailored and consists of four stages: creating...

Analytical and experimental investigation on a multiple-mass-element pendulum impact damper for vibration mitigation

Science.gov (United States)

Egger, Philipp; Caracoglia, Luca

2015-09-01

Impact dampers are often used in the field of civil, mechanical and aerospace engineering for reducing structural vibrations. The behavior of this type of passive control device has been investigated for several decades. In this research a distributed-mass impact damper, similar to the "chain damper" used in wind engineering, has been examined and applied to the vibration reduction on a slender line-like structural element (stay-cable). This study is motivated by a practical problem and describes the derivation of a reduced-order model for explaining the behavior, observed during a field experiment on a prototype system. In its simplest form, the dynamics of the apparatus is modeled as a "resilient damper", composed of mass-spring-dashpot secondary elements, attached to the primary structure. Various sources of excitation are analyzed: free vibration, external harmonic force and random excitation. The proposed model is general and potentially applicable to the analysis of several structural systems. The study also shows that the model can adequately describe and explain the experimentally observed behavior.

HETERO code, heterogeneous procedure for reactor calculation

International Nuclear Information System (INIS)

Jovanovic, S.M.; Raisic, N.M.

1966-11-01

This report describes the procedure for calculating the parameters of heterogeneous reactor system taking into account the interaction between fuel elements related to established geometry. First part contains the analysis of single fuel element in a diffusion medium, and criticality condition of the reactor system described by superposition of elements interactions. the possibility of performing such analysis by determination of heterogeneous system lattice is described in the second part. Computer code HETERO with the code KETAP (calculation of criticality factor η n and flux distribution) is part of this report together with the example of RB reactor square lattice

The Cutting Edge of Affinity Electrophoresis Technology.

Science.gov (United States)

Kinoshita, Eiji; Kinoshita-Kikuta, Emiko; Koike, Tohru

2015-03-18

Affinity electrophoresis is an important technique that is widely used to separate and analyze biomolecules in the fields of biology and medicine. Both quantitative and qualitative information can be gained through affinity electrophoresis. Affinity electrophoresis can be applied through a variety of strategies, such as mobility shift electrophoresis, charge shift electrophoresis or capillary affinity electrophoresis. These strategies are based on changes in the electrophoretic patterns of biological macromolecules that result from interactions or complex-formation processes that induce changes in the size or total charge of the molecules. Nucleic acid fragments can be characterized through their affinity to other molecules, for example transcriptional factor proteins. Hydrophobic membrane proteins can be identified by means of a shift in the mobility induced by a charged detergent. The various strategies have also been used in the estimation of association/disassociation constants. Some of these strategies have similarities to affinity chromatography, in that they use a probe or ligand immobilized on a supported matrix for electrophoresis. Such methods have recently contributed to profiling of major posttranslational modifications of proteins, such as glycosylation or phosphorylation. Here, we describe advances in analytical techniques involving affinity electrophoresis that have appeared during the last five years.

Single-step affinity purification for fungal proteomics.

Science.gov (United States)

Liu, Hui-Lin; Osmani, Aysha H; Ukil, Leena; Son, Sunghun; Markossian, Sarine; Shen, Kuo-Fang; Govindaraghavan, Meera; Varadaraj, Archana; Hashmi, Shahr B; De Souza, Colin P; Osmani, Stephen A

2010-05-01

A single-step protein affinity purification protocol using Aspergillus nidulans is described. Detailed protocols for cell breakage, affinity purification, and depending on the application, methods for protein release from affinity beads are provided. Examples defining the utility of the approaches, which should be widely applicable, are included.

Development of realtime monitoring technology for laser photoreaction product - Development of glow discharge-mass spectrometry (GD-MS) hybrid techniques for trace analysis of refractory elements

Energy Technology Data Exchange (ETDEWEB)

Lee, Sang Chun [Kyungnam University, Masan (Korea); Kim, Ha Suck [Seoul National University, Seoul (Korea); Kim, Hyo Jin [Dongduk Women' s University, Seoul (Korea)

2000-04-01

This research is focusing on development of hybrid techniques of glow discharge-mass spectrometry for the trace analysis of refractory elements. At first, we developed a glow discharge(GD) ionization cell and its characteristics was investigated. The new GD cell was designed based on direct current hollow cathode glow discharge and it is used for quadrupole mass analyzer and time-of-flight mass analyzer. Currently, GD-quadrupole mass spectrometry is working for the analysis of refractory elements. The experimental results show relatively good for trace analysis. In addition, ion mobile spectrometry using plasma and liquid discharge technique were investigated for the analysis of refractory elements and both techniques need more investigation to deduce the their usefulness. 30 refs., 67 figs., 4 tabs. (Author)

On the prospects to detect superheavy elements (SHE) in the earth's crust using the high energy synchrotron radiation and the mass spectrometry

International Nuclear Information System (INIS)

Schnier, C.

2001-01-01

There are many indications for the existence of superheavy elements (SHE) in the Earth's crust. The appropriate detection methods are X-ray fluorescence (XRF) using the high energy synchrotron radiation and the mass spectrometry. The characteristic X-rays of each element up to Z >120 (corresponding binding energy of the K-electrons E b >230 keV) can be precisely excited with synchrotron XRF. Up to now, the XRF with high energy photons has never been applied to the quest for SHE. New methods of mass spectrometry eg using resonance ionization (RIMS) are promising to detect unambiguously atomic masses about 300 in solid matrices. It is proposed to restart the quest for SHE in the nature. Finding a SHE in the Earth's crust would be very important, because of what it will tell us about the origin of the elements eg about the nucleosynthesis during a super nova explosion, the structure of the atomic nuclei and the site of SHE in the periodic table of elements. (orig.) [de

Inductively coupled plasma-mass spectrometry for elemental analysis and isotope ratio determinations in individual organic compounds separated by gas chromatography

International Nuclear Information System (INIS)

Chong, N.S.; Houk, R.S.

1987-01-01

A gas chromatograph (GC) with a packed column was interfaced to an inductively coupled plasma-mass spectrometer (ICP-MS) to yield atomic mass spectra from volatile organic compounds. Atomization of injected compounds was nearly complete and independent of molecular structure, so that elemental ratios could be determined. Detection limits were in the range 0.001 to 400 ng s -1 , depending on the ionization energy of the element and its abundance in the background spectrum. The relative standard deviation of measured isotope ratios varied from 0.4% for Br (i.e., a ratio close to unity) to 18% for N (a very large ratio). Thus, GC-ICP-MS provides elemental and isotope ratio information that is complementary to the molecular information derived from GC-MS with conventional ionization methods

User's manual for DYNA2D: an explicit two-dimensional hydrodynamic finite-element code with interactive rezoning

Energy Technology Data Exchange (ETDEWEB)

Hallquist, J.O.

1982-02-01

This revised report provides an updated user's manual for DYNA2D, an explicit two-dimensional axisymmetric and plane strain finite element code for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. A contact-impact algorithm permits gaps and sliding along material interfaces. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 4-node solid elements, and the equations-of motion are integrated by the central difference method. An interactive rezoner eliminates the need to terminate the calculation when the mesh becomes too distorted. Rather, the mesh can be rezoned and the calculation continued. The command structure for the rezoner is described and illustrated by an example.

Connections between quantized affine algebras and superalgebras

International Nuclear Information System (INIS)

Zhang, R.B.

1992-08-01

Every affine superalgebra with a symmetrizable Cartan matrix is closely related to an ordinary affine algebra with the same Cartan matrix. It is shown that the quantum supergroup associated with the former is essentially isomorphic to the quantum group associated with the latter in an appropriate class of representations. At the classical level, each integrable irreducible highest weight representation of the affine superalgebra has a corresponding irreducible representation of the affine algebra, which has the same weight space decomposition. (author). 5 refs, 3 tabs

Mobile Technology Affinity in Renal Transplant Recipients.

Science.gov (United States)

Reber, S; Scheel, J; Stoessel, L; Schieber, K; Jank, S; Lüker, C; Vitinius, F; Grundmann, F; Eckardt, K-U; Prokosch, H-U; Erim, Y

Medication nonadherence is a common problem in renal transplant recipients (RTRs). Mobile health approaches to improve medication adherence are a current trend, and several medication adherence apps are available. However, it is unknown whether RTRs use these technologies and to what extent. In the present study, the mobile technology affinity of RTRs was analyzed. We hypothesized significant age differences in mobile technology affinity and that mobile technology affinity is associated with better cognitive functioning as well as higher educational level. A total of 109 RTRs (63% male) participated in the cross-sectional study, with an overall mean age of 51.8 ± 14.2 years. The study included the Technology Experience Questionnaire (TEQ) for the assessment of mobile technology affinity, a cognitive test battery, and sociodemographic data. Overall, 57.4% of the patients used a smartphone or tablet and almost 45% used apps. The TEQ sum score was 20.9 in a possible range from 6 (no affinity to technology) to 30 (very high affinity). Younger patients had significantly higher scores in mobile technology affinity. The only significant gender difference was found in having fun with using electronic devices: Men enjoyed technology more than women did. Mobile technology affinity was positively associated with cognitive functioning and educational level. Young adult patients might profit most from mobile health approaches. Furthermore, high educational level and normal cognitive functioning promote mobile technology affinity. This should be kept in mind when designing mobile technology health (mHealth) interventions for RTRs. For beneficial mHealth interventions, further research on potential barriers and desired technologic features is necessary to adapt apps to patients' needs. Copyright © 2017 Elsevier Inc. All rights reserved.

Characterization of high-affinity (/sup 3/H)ouabain binding in the rat central nervous system

Energy Technology Data Exchange (ETDEWEB)

Hauger, R.; Luu, H.M.; Meyer, D.K.; Goodwin, F.K.; Paul, S.M.

1985-06-01

The characteristics of (/sup 3/H)ouabain binding were examined in various areas of rat brain. In the striatum, Scatchard analysis revealed a single class of high-affinity binding sites with an apparent binding affinity (KD) of 10.4 +/- 0.9 nM and an estimated binding capacity (Bmax) of 7.6 +/- 1.9 pmol/mg protein. Similar monophasic Scatchard plots were found in the brainstem, cerebellum, hypothalamus, and frontal cerebral cortex. (/sup 3/H)Ouabain binding to rat brain was sodium- and ATP-dependent and strongly inhibited by potassium. Proscillariden A was the most potent cardiac glycoside tested in inhibiting specific (/sup 3/H)ouabain binding to brain membranes, and the rank order of inhibitory potencies for a series of cardiac glycosides was similar to that previously reported for inhibition of heart Na,K-ATPase. To assess whether the high-affinity binding sites for (/sup 3/H)ouabain were localized to neuronal or nonneuronal membranes, the effect of discrete kainic acid lesions on striatal (/sup 3/H)ouabain binding was examined. Kainic acid lesions of the striatum reduced (/sup 3/H)ouabain binding to striatal homogenates by 79.6 +/- 1.6%. This suggests that the high-affinity (/sup 3/H)ouabain binding sites measured in our experiments are localized to neuronal elements. Thus, the high-affinity binding of (/sup 3/H)ouabain to brain membranes may selectively label a neuronal form or conformation of Na,K-ATPase.

Numeral series hidden in the distribution of atomic mass of amino acids to codon domains in the genetic code.

Science.gov (United States)

Wohlin, Åsa

2015-03-21

The distribution of codons in the nearly universal genetic code is a long discussed issue. At the atomic level, the numeral series 2x(2) (x=5-0) lies behind electron shells and orbitals. Numeral series appear in formulas for spectral lines of hydrogen. The question here was if some similar scheme could be found in the genetic code. A table of 24 codons was constructed (synonyms counted as one) for 20 amino acids, four of which have two different codons. An atomic mass analysis was performed, built on common isotopes. It was found that a numeral series 5 to 0 with exponent 2/3 times 10(2) revealed detailed congruency with codon-grouped amino acid side-chains, simultaneously with the division on atom kinds, further with main 3rd base groups, backbone chains and with codon-grouped amino acids in relation to their origin from glycolysis or the citrate cycle. Hence, it is proposed that this series in a dynamic way may have guided the selection of amino acids into codon domains. Series with simpler exponents also showed noteworthy correlations with the atomic mass distribution on main codon domains; especially the 2x(2)-series times a factor 16 appeared as a conceivable underlying level, both for the atomic mass and charge distribution. Furthermore, it was found that atomic mass transformations between numeral systems, possibly interpretable as dimension degree steps, connected the atomic mass of codon bases with codon-grouped amino acids and with the exponent 2/3-series in several astonishing ways. Thus, it is suggested that they may be part of a deeper reference system. Copyright © 2015 The Author. Published by Elsevier Ltd.. All rights reserved.

Finite element formulation for fluid-structure interaction in three-dimensional space

International Nuclear Information System (INIS)

Kulak, R.F.

1979-01-01

A development is presented for a three-dimension hexahedral hydrodynamic finite-element. Using trilinear shape functions and assuming a constant pressure field in each element, simple relations were obtained for internal nodal forces. Because the formulation was based upon a rate approach it was applicable to problems involving large displacements. This element was incorporated into an existing plate-shell finite element code. Diagonal mass matrices were used and the resulting discrete equations of motion were solved using explicit temporal integrator. Results for several problems were presented which compare numerical predictions to closed form analytical solutions. In addition, the fluid-structure interaction problem of a fluid-filled, cylindrical vessel containing internal cylinders was studied. The internal cylinders were cantilever supported from the top cover of the vessel and were periodically located circumferentially at a fixed radius. A pressurized cylindrical cavity located at the bottom of the vessel at its centerline provided the loading

Finite element code FENIA verification and application for 3D modelling of thermal state of radioactive waste deep geological repository

Science.gov (United States)

Butov, R. A.; Drobyshevsky, N. I.; Moiseenko, E. V.; Tokarev, U. N.

2017-11-01

The verification of the FENIA finite element code on some problems and an example of its application are presented in the paper. The code is being developing for 3D modelling of thermal, mechanical and hydrodynamical (THM) problems related to the functioning of deep geological repositories. Verification of the code for two analytical problems has been performed. The first one is point heat source with exponential heat decrease, the second one - linear heat source with similar behavior. Analytical solutions have been obtained by the authors. The problems have been chosen because they reflect the processes influencing the thermal state of deep geological repository of radioactive waste. Verification was performed for several meshes with different resolution. Good convergence between analytical and numerical solutions was achieved. The application of the FENIA code is illustrated by 3D modelling of thermal state of a prototypic deep geological repository of radioactive waste. The repository is designed for disposal of radioactive waste in a rock at depth of several hundred meters with no intention of later retrieval. Vitrified radioactive waste is placed in the containers, which are placed in vertical boreholes. The residual decay heat of radioactive waste leads to containers, engineered safety barriers and host rock heating. Maximum temperatures and corresponding times of their establishment have been determined.

Vaporization studies on elemental tellurium and selenium by Knudsen effusion mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Viswanathan, R., E-mail: rvis1953@gmail.com; Balasubramanian, R., E-mail: rbs@igcar.gov.in; Darwin Albert Raj, D., E-mail: darwinalbertraj1953@gmail.com; Sai Baba, M., E-mail: msb@igcar.gov.in; Lakshmi Narasimhan, T.S., E-mail: tslak@igcar.gov.in

2014-08-01

Highlights: • A detailed KEMS study of vaporization of elemental tellurium and selenium systems. • Clusters Te{sub i}(g) (i = 2 to 7) and Se{sub i}(g) (i = 2 to 9) identified over Te(s) and Se(s). • p–T relations for Te{sub i}(g) (590 to 690 K) and Se{sub i}(g) (380 to 480 K). • Vapor phase of Te dominated by Te{sub 2}(g) (∼95%) while that of Se by Se{sub 6}(g) (∼50%) and Se{sub 5}(g) (∼25%). • Sublimation and atomization enthalpies deduced for Te{sub i}(g) and Se{sub i}(g). - Abstract: Vaporization studies on elemental tellurium and selenium were conducted by Knudsen effusion mass spectrometry in the temperature range of 590–690 K and 380–480 K, respectively. The ionic species Te{sub i}{sup +} (i = 1–7) and Se{sub i}{sup +}(g) (i = 1–9) were detected in the mass spectra over these two condensed phases. Measurement of ion intensities were performed as a function of electron impact energy and as a function of temperature (at different electron impact energies) for identifying the gaseous precursor species as well as for determining the partial pressure–temperature relations and sublimation enthalpies for these species. While the major species over elemental tellurium was confirmed to be Te{sub 2}(g) (with all other gaseous species Te{sub 3}–Te{sub 7} put together constituting less than 5%), the major species over elemental selenium was found to be Se{sub 6}(g), closely followed by Se{sub 5}(g) (with other gaseous species Se{sub 2}–Se{sub 4} and Se{sub 7}–Se{sub 9} put together also moderately constituting ∼25%). From the partial pressures, the thermodynamic data for the sublimation reactions i Te(s) = Te{sub i}(g) and i Se(s) = Se{sub i}(g) were deduced by second- and third-law methods. The atomization enthalpies of tellurium and selenium clusters were also deduced by using the recommended enthalpies of formation of monomeric species. Comparison of the findings obtained in the present study with those in previous studies revealed

Proton Affinities of Anionic Bases:  Trends Across the Periodic Table, Structural Effects, and DFT Validation.

Science.gov (United States)

Swart, Marcel; Bickelhaupt, F Matthias

2006-03-01

We have carried out an extensive exploration of the gas-phase basicity of archetypal anionic bases across the periodic system using the generalized gradient approximation of density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. First, we validate DFT as a reliable tool for computing proton affinities and related thermochemical quantities:  BP86/QZ4P//BP86/TZ2P is shown to yield a mean absolute deviation of 1.6 kcal/mol for the proton affinity at 0 K with respect to high-level ab initio benchmark data. The main purpose of this work is to provide the proton affinities (and corresponding entropies) at 298 K of the anionic conjugate bases of all main-group-element hydrides of groups 14-17 and periods 2-6. We have also studied the effect of stepwise methylation of the protophilic center of the second- and third-period bases.

Field-based tests of geochemical modeling codes: New Zealand hydrothermal systems

International Nuclear Information System (INIS)

Bruton, C.J.; Glassley, W.E.; Bourcier, W.L.

1993-12-01

Hydrothermal systems in the Taupo Volcanic Zone, North Island, New Zealand are being used as field-based modeling exercises for the EQ3/6 geochemical modeling code package. Comparisons of the observed state and evolution of the hydrothermal systems with predictions of fluid-solid equilibria made using geochemical modeling codes will determine how the codes can be used to predict the chemical and mineralogical response of the environment to nuclear waste emplacement. Field-based exercises allow us to test the models on time scales unattainable in the laboratory. Preliminary predictions of mineral assemblages in equilibrium with fluids sampled from wells in the Wairakei and Kawerau geothermal field suggest that affinity-temperature diagrams must be used in conjunction with EQ6 to minimize the effect of uncertainties in thermodynamic and kinetic data on code predictions

Study of elemental mass size distributions at Skukuza, South Africa, during the SAFARI 2000 dry season campaign

International Nuclear Information System (INIS)

Maenhaut, Willy; Schwarz, Jaroslav; Cafmeyer, Jan; Annegarn, Harold J.

2002-01-01

As part of the final dry season campaign of SAFARI 2000, a 12-stage small deposit area low pressure impactor (SDI) was operated at Skukuza, in the Kruger National Park, South Africa, from 17 August until 19 September 2000. Separate day and night samples were collected (64 in total), starting at about 7:00 and at about 18:00 local time, respectively. The samples were analysed for 28 elements by PIXE. The total concentrations (summed over all 12 stages) varied quite substantially during the campaign (up to a factor of 50), but no systematic day/night difference pattern was observed. Also the size distributions were rather similar during day and night. S, K, Zn, As, Se, Br, Rb and Pb had most of their mass in the submicrometre size range, with maximum typically at about 0.3 μm equivalent aerodynamic diameter. Several of those elements are good indicators for biomass burning. Mass median aerodynamic diameters (MMADs) were calculated for the various elements and compared with those obtained during SAFARI-92. During this earlier campaign, which also took place in the dry season, 41 daily samples were taken at Skukuza with a PIXE International cascade impactor (PCI). For the crustal and sea-salt elements, fairly similar MMADs were obtained in the two campaigns. For the fine-mode elements, however, the MMADs were substantially lower during SAFARI 2000 than during SAFARI-92. During this earlier campaign, the MMADs were most likely overestimated. Compared to the SDI, the PCI is much less appropriate for studying the size distribution in the submicrometre size range

The Cutting Edge of Affinity Electrophoresis Technology

Science.gov (United States)

Kinoshita, Eiji; Kinoshita-Kikuta, Emiko; Koike, Tohru

2015-01-01

Affinity electrophoresis is an important technique that is widely used to separate and analyze biomolecules in the fields of biology and medicine. Both quantitative and qualitative information can be gained through affinity electrophoresis. Affinity electrophoresis can be applied through a variety of strategies, such as mobility shift electrophoresis, charge shift electrophoresis or capillary affinity electrophoresis. These strategies are based on changes in the electrophoretic patterns of biological macromolecules that result from interactions or complex-formation processes that induce changes in the size or total charge of the molecules. Nucleic acid fragments can be characterized through their affinity to other molecules, for example transcriptional factor proteins. Hydrophobic membrane proteins can be identified by means of a shift in the mobility induced by a charged detergent. The various strategies have also been used in the estimation of association/disassociation constants. Some of these strategies have similarities to affinity chromatography, in that they use a probe or ligand immobilized on a supported matrix for electrophoresis. Such methods have recently contributed to profiling of major posttranslational modifications of proteins, such as glycosylation or phosphorylation. Here, we describe advances in analytical techniques involving affinity electrophoresis that have appeared during the last five years. PMID:28248262

A highly selective dispersive liquid-liquid microextraction approach based on the unique fluorous affinity for the extraction and detection of per- and polyfluoroalkyl substances coupled with high performance liquid chromatography tandem-mass spectrometry.

Science.gov (United States)

Wang, Juan; Shi, Yali; Cai, Yaqi

2018-04-06

In the present study, a highly selective fluorous affinity-based dispersive liquid-liquid microextraction (DLLME) technique was developed for the extraction and analysis of per- and polyfluoroalkyl substances (PFASs) followed by high performance liquid chromatography tandem-mass spectrometry. Perfluoro-tert-butanol with multiple C-F bonds was chosen as the extraction solvent, which was injected into the aqueous samples with a dispersive solvent (acetonitrile) in a 120:800 (μL, v/v) mixture for PFASs enrichment. The fluorous affinity-based extraction mechanism was confirmed by the significantly higher extraction recoveries for PFASs containing multiple fluorine atoms than those for compounds with fewer or no fluorine atoms. The extraction recoveries of medium and long-chain PFASs (CF 2  > 5) exceeded 70%, except perfluoroheptanoic acid, while those of short-chain PFASs were lower than 50%, implying that the proposed DLLME may not be suitable for their extraction due to weak fluorous affinity. This highly fluoroselective DLLME technique can greatly decrease the matrix effect that occurs in mass spectrometry detection when applied to the analysis of urine samples. Under the optimum conditions, the relative recoveries of PFASs with CF 2  > 5 ranged from 80.6-121.4% for tap water, river water and urine samples spiked with concentrations of 10, 50 and 100 ng/L. The method limits of quantification for PFASs in water and urine samples were in the range of 0.6-8.7 ng/L. Furthermore, comparable concentrations of PFASs were obtained via DLLME and solid-phase extraction, confirming that the developed DLLME technique is a promising method for the extraction of PFASs in real samples. Copyright © 2018 Elsevier B.V. All rights reserved.

Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.

Science.gov (United States)

Aguda, Adeleke H; Lavallee, Vincent; Cheng, Ping; Bott, Tina M; Meimetis, Labros G; Law, Simon; Nguyen, Nham T; Williams, David E; Kaleta, Jadwiga; Villanueva, Ivan; Davies, Julian; Andersen, Raymond J; Brayer, Gary D; Brömme, Dieter

2016-08-26

Natural products are an important source of novel drug scaffolds. The highly variable and unpredictable timelines associated with isolating novel compounds and elucidating their structures have led to the demise of exploring natural product extract libraries in drug discovery programs. Here we introduce affinity crystallography as a new methodology that significantly shortens the time of the hit to active structure cycle in bioactive natural product discovery research. This affinity crystallography approach is illustrated by using semipure fractions of an actinomycetes culture extract to isolate and identify a cathepsin K inhibitor and to compare the outcome with the traditional assay-guided purification/structural analysis approach. The traditional approach resulted in the identification of the known inhibitor antipain (1) and its new but lower potency dehydration product 2, while the affinity crystallography approach led to the identification of a new high-affinity inhibitor named lichostatinal (3). The structure and potency of lichostatinal (3) was verified by total synthesis and kinetic characterization. To the best of our knowledge, this is the first example of isolating and characterizing a potent enzyme inhibitor from a partially purified crude natural product extract using a protein crystallographic approach.

Affine Fullerene C60 in a GS-Quasigroup

Directory of Open Access Journals (Sweden)

Vladimir Volenec

2014-01-01

Full Text Available It will be shown that the affine fullerene C60, which is defined as an affine image of buckminsterfullerene C60, can be obtained only by means of the golden section. The concept of the affine fullerene C60 will be constructed in a general GS-quasigroup using the statements about the relationships between affine regular pentagons and affine regular hexagons. The geometrical interpretation of all discovered relations in a general GS-quasigroup will be given in the GS-quasigroup C(1/2(1+5.

Affine analogues of the Sasaki-Shchepetilov connection

Directory of Open Access Journals (Sweden)

Maria Robaszewska

2016-07-01

Full Text Available For two-dimensional manifold M with locally symmetric connection ∇ and with ∇-parallel volume element vol one can construct a flat connection on the vector bundle TM⊕E, where E is a trivial bundle. The metrizable case, when M is a Riemannian manifold of constant curvature, together with its higher dimension generalizations, was studied by A.V. Shchepetilov [J. Phys. A: 36 (2003, 3893-3898]. This paper deals with the case of non-metrizable locally symmetric connection. Two flat connections on TM⊕(R⨯M and two on TM⊕(R2⨯M are constructed. It is shown that two of those connections - one from each pair - may be identified with the standard flat connection in RN, after suitable local affine embedding of (M,∇ into RN.

Supervised Convolutional Sparse Coding

KAUST Repository

Affara, Lama Ahmed; Ghanem, Bernard; Wonka, Peter

2018-01-01

coding, which aims at learning discriminative dictionaries instead of purely reconstructive ones. We incorporate a supervised regularization term into the traditional unsupervised CSC objective to encourage the final dictionary elements

Detection of Staphylococcus aureus by functional gold nanoparticle-based affinity surface-assisted laser desorption/ionization mass spectrometry.

Science.gov (United States)

Lai, Hong-Zheng; Wang, Sin-Ge; Wu, Ching-Yi; Chen, Yu-Chie

2015-02-17

Staphylococcus aureus is one of the common pathogenic bacteria responsible for bacterial infectious diseases and food poisoning. This study presents an analytical method based on the affinity nanoprobe-based mass spectrometry that enables detection of S. aureus in aqueous samples. A peptide aptamer DVFLGDVFLGDEC (DD) that can recognize S. aureus and methicillin-resistant S. aureus (MRSA) was used as the reducing agent and protective group to generate DD-immobilized gold nanoparticles (AuNPs@DD) from one-pot reactions. The thiol group from cysteine in the peptide aptamer, i.e., DD, can interact with gold ions to generate DD-immobilized AuNPs in an alkaline solution. The generated AuNPs@DD has an absorption maximum at ∼518 nm. The average particle size is 7.6 ± 1.2 nm. Furthermore, the generated AuNPs@DD can selectively bind with S. aureus and MRSA. The conjugates of the target bacteria with AuNPs were directly analyzed by surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS). The gold ions generated from the AuNPs@DD anchored on the target bacteria were monitored. Gold ions (m/z 197 and 394) were only generated from the conjugates of the target bacterium-AuNP@DD in the SALDI process. Thus, the gold ions could be used as the indicators for the presence of the target bacteria. The detection limit of S. aureus using this method is in the order of a few tens of cells. The low detection limit is due to the ease of generation of gold cluster ion derived from AuNPs under irradiation with a 355 nm laser beam. Apple juice mixed with S. aureus was used as the sample to demonstrate the suitability of the method for real-world application. Because of its low detection limit, this approach can potentially be used to screen the presence of S. aureus in complex samples.

Affinity Spaces and 21st Century Learning

Science.gov (United States)

Gee, James Paul

2017-01-01

This article discusses video games as "attractors" to "affinity spaces." It argues that affinity spaces are key sites today where people teach and learn 21st Century skills. While affinity spaces are proliferating on the Internet as interest-and-passion-driven sites devoted to a common set of endeavors, they are not new, just…

Development and application of MASKA-LM code for calculation of thermal hydraulics and mass transfer of lead cooled fast reactors

International Nuclear Information System (INIS)

Vladimir Ya Kumaev; Andrei A Lebezov; Victor V Alexeev

2005-01-01

Full text of publication follows: The report is devoted to the development and application of the two-dimensional MASKA-LM computer code intended for numerical calculations of lead coolant flows, temperatures and transport of impurities in BREST-type reactors of the integral design. The description of heat and mass transfer in liquid metal systems, proceeding in the coolant and at the interface 'coolant - structural materials', is a complex problem involving the joint simulation of thermal-hydraulic, physical and chemical processes in view of the real configuration of the reactor circuit. The report presents the state-of-the-art in the development of the two-dimensional code MASKA-LM and the results of trial calculations of heat and mass transfer in the primary circuit of the lead cooled reactor. The set of governing equations to be solved is based on the porous body model and describes the thermal-hydraulic processes in the reactor as a whole. The numerical method for solution of the governing equations is discussed. To check the code workability and study the technique by the way of solution of a particular task, calculations were performed in reference to the chosen version of the lead cooled BREST reactor under design. The examined domain of the reactor was simulated by a porous body with the parameters corresponding to those of the real reactor medium in terms of heat generation, resistance and the geometry of the hydraulic path of coolant. Analysis of the calculated two-dimensional fields of velocities, pressure and temperatures shows the existence of a complex coolant flow with stagnant and vortex zones. A nonuniform distribution of the coolant flow rate along the core radius was obtained. The results of calculations of the impurity transport of iron, oxygen and magnetite in the primary reactor circuit are discussed as well. The developed code MASKA-LM allows one to evaluate the issue of components of structural materials into coolant as impurities, their

76 FR 11432 - Coding of Design Marks in Registrations

Science.gov (United States)

2011-03-02

...] Coding of Design Marks in Registrations AGENCY: United States Patent and Trademark Office, Commerce... practice of coding newly registered trademarks that include a design element with design mark codes based... notice and request for comments at 75 FR 81587, proposing to discontinue a secondary system of coding...

KENO-V code

International Nuclear Information System (INIS)

Cramer, S.N.

1984-01-01

The KENO-V code is the current release of the Oak Ridge multigroup Monte Carlo criticality code development. The original KENO, with 16 group Hansen-Roach cross sections and P 1 scattering, was one ot the first multigroup Monte Carlo codes and it and its successors have always been a much-used research tool for criticality studies. KENO-V is able to accept large neutron cross section libraries (a 218 group set is distributed with the code) and has a general P/sub N/ scattering capability. A supergroup feature allows execution of large problems on small computers, but at the expense of increased calculation time and system input/output operations. This supergroup feature is activated automatically by the code in a manner which utilizes as much computer memory as is available. The primary purpose of KENO-V is to calculate the system k/sub eff/, from small bare critical assemblies to large reflected arrays of differing fissile and moderator elements. In this respect KENO-V neither has nor requires the many options and sophisticated biasing techniques of general Monte Carlo codes

Environmental application of elemental speciation analysis based on liquid or gas chromatography hyphenated to inductively coupled plasma mass spectrometry-A review

International Nuclear Information System (INIS)

Popp, Maximilian; Hann, Stephan; Koellensperger, Gunda

2010-01-01

In recent years the number of environmental applications of elemental speciation analysis using inductively coupled plasma mass spectrometry (ICP-MS) as detector has increased significantly. The analytical characteristics, such as extremely low detection limits (LOD) for almost all elements, the wide linear range, the possibility for multi-elemental analysis and the possibility to apply isotope dilution mass spectrometry (IDMS) make ICP-MS an attractive tool for elemental speciation analysis. Two methodological approaches, i.e. the combination of ICP-MS with high performance liquid chromatography (HPLC) and gas chromatography (GC), dominate the field. Besides the investigation of metals and metalloids and their species (e.g. Sn, Hg, As), representing 'classic' elements in environmental science, more recently other elements (e.g. P, S, Br, I) amenable to ICP-MS determination were addressed. In addition, the introduction of isotope dilution analysis and the development of isotopically labeled species-specific standards have contributed to the success of ICP-MS in the field. The aim of this review is to summarize these developments and to highlight recent trends in the environmental application of ICP-MS coupled to GC and HPLC.

Washability and Distribution Behaviors of Trace Elements of a High-Sulfur Coal, SW Guizhou, China

Directory of Open Access Journals (Sweden)

Wei Cheng

2018-02-01

Full Text Available The float-sink test is a commonly used technology for the study of coal washability, which determines optimal separation density for coal washing based on the desired sulfur and ash yield of the cleaned coal. In this study, the float-sink test is adopted for a high-sulfur Late Permian coal from Hongfa coalmine (No.26, southwestern Guizhou, China, to investigate its washability, and to analyze the organic affinities and distribution behaviors of some toxic and valuable trace elements. Results show that the coal is difficult to separate in terms of desulfurization. A cleaned coal could theoretically be obtained with a yield of 75.50%, sulfur 2.50%, and ash yield 11.33% when the separation density is 1.57 g/cm3. Trace elements’ distribution behaviors during the gravity separation were evaluated by correlation analysis and calculation. It was found that Cs, Ga, Ta, Th, Rb, Sb, Nb, Hf, Ba, Pb, In, Cu, and Zr are of significant inorganic affinity; while Sn, Co, Re, U, Mo, V, Cr, Ni, and Be are of relatively strong organic affinity. LREE (Light rare earth elements, however, seem to have weaker organic affinity than HREE (Heavy rare earth elements, which can probably be attributed to lanthanide contraction. When the separation density is 1.60 g/cm3, a large proportion of Sn, Be, Cr, U, V, Mo, Ni, Cd, Pb, and Cu migrate to the cleaned coal, but most of Mn, Sb and Th stay in the gangue. Coal preparation provides alternativity for either toxic elements removal or valuable elements preconcentration in addition to desulfurization and deashing. The enrichment of trace elements in the cleaned coal depends on the predetermined separation density which will influence the yields and ash yields of the cleaned coal.

Development of finite element code for the analysis of coupled thermo-hydro-mechanical behaviors of a saturated-unsaturated medium

International Nuclear Information System (INIS)

Ohnishi, Y.; Shibata, H.; Kobsayashi, A.

1987-01-01

A model is presented which describes fully coupled thermo-hydro-mechanical behavior of a porous geologic medium. The mathematical formulation for the model utilizes the Biot theory for the consolidation and the energy balance equation. If the medium is in the condition of saturated-unsaturated flow, then the free surfaces are taken into consideration in the model. The model, incorporated in a finite element numerical procedure, was implemented in a two-dimensional computer code. The code was developed under the assumptions that the medium is poro-elastic and in the plane strain condition; that water in the ground does not change its phase; and that heat is transferred by conductive and convective flow. Analytical solutions pertaining to consolidation theory for soils and rocks, thermoelasticity for solids and hydrothermal convection theory provided verification of stress and fluid flow couplings, respectively, in the coupled model. Several types of problems are analyzed

Critical experiments simulating accidental water immersion of highly enriched uranium dioxide fuel elements

International Nuclear Information System (INIS)

Ponomarev-Stepnoi, N.N.; Glushkov, L.S.

2003-01-01

The paper focuses on experimental analysis of nuclear criticality safety at accidental water immersion of fuel elements of the Russian TOPAZ-2 space nuclear power system reactor. The structure of water-moderated heterogeneous critical assemblies at the NARCISS facility is described in detail, including sizes, compositions, densities of materials of the main assembly components for various core configurations. Critical parameters of the assemblies measured for varying number of fuel elements, height of fuel material in fuel elements and their arrangement in the water moderator with a uniform or variable spacing are presented. It has been found from the experiments that at accidental water immersion of fuel elements involved, the minimum critical mass equal to approximately 20 kg of uranium dioxide is achieved at 31-37 fuel elements. The paper gives an example of a physical model of the water-moderated heterogeneous critical assembly with a detailed characterization of its main components that can be used for calculations using different neutronic codes, including Monte Carlo ones. (author)

Ethical codes. Fig leaf argument, ballast or cultural element for radiation protection?

International Nuclear Information System (INIS)

Gellermann, Rainer

2014-01-01

The international association for radiation protection (IRPA) adopted in May 2004 a Code of Ethics in order to allow their members to hold an adequate professional level of ethical line of action. Based on this code of ethics the professional body of radiation protection (Fachverband fuer Strahlenschutz) has developed its own ethical code and adopted in 2005.

On the structure of self-affine convex bodies

Energy Technology Data Exchange (ETDEWEB)

Voynov, A S [M. V. Lomonosov Moscow State University, Faculty of Mechanics and Mathematics, Moscow (Russian Federation)

2013-08-31

We study the structure of convex bodies in R{sup d} that can be represented as a union of their affine images with no common interior points. Such bodies are called self-affine. Vallet's conjecture on the structure of self-affine bodies was proved for d = 2 by Richter in 2011. In the present paper we disprove the conjecture for all d≥3 and derive a detailed description of self-affine bodies in R{sup 3}. Also we consider the relation between properties of self-affine bodies and functional equations with a contraction of an argument. Bibliography: 10 titles.

Critical state and magnetization loss in multifilamentary superconducting wire solved through the commercial finite element code ANSYS

Science.gov (United States)

Farinon, S.; Fabbricatore, P.; Gömöry, F.

2010-11-01

The commercially available finite element code ANSYS has been adapted to solve the critical state of single strips and multifilamentary tapes. We studied a special algorithm which approaches the critical state by an iterative adjustment of the material resistivity. Then, we proved its validity by comparing the results obtained for a thin strip to the Brand theory for the transport current and magnetization cases. Also, the challenging calculation of the magnetization loss of a real multifilamentary BSCCO tape showed the usefulness of our method. Finally, we developed several methods to enhance the speed of convergence, making the proposed process quite competitive in the existing survey of ac losses simulations.

The determination of low level trace elements in coals by laser ablation-inductively coupled plasma-mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Booth, C.A.; Spears, D.A.; Krause, P.; Cox, A.G. [University of Sheffield, Sheffield (United Kingdom). Dept. of Earth Sciences

1999-11-01

The rapid determination of elements present in low level concentrations in bituminous coals is possible using laser abalation-inductively coupled plasma-mass spectrometry (l.a.-i.c.p.-m.s.). A wide range of trace elements can routinely be determined using this technique but it is for environmentally sensitive elements, such as As, Cd, Mo, Sb, Se and Hg, that it is of most use due to the low levels of detection. Calibration of the i.c.p.-m.s. was achieved using a series of uncertified coals and the method evaluated using the South African certified coals, Sarm 18, 19 and 20. A critical evaluation of the data obtained shows that for many of the elements studied the results obtained are both accurate and precise, even at very low concentrations, with the limits of detection for all of the elements being in the {mu}g/kg (parts per billion) range. 6 refs., 3 figs., 9 tabs.

Single-experiment simultaneous-measurement of elemental mass-attenuation coefficients of hydrogen, carbon and oxygen for 0.123-1.33 MeV gamma rays

International Nuclear Information System (INIS)

Teli, M.T.; Nathuram, R.; Mahajan, C.S.

2000-01-01

As it is inconvenient to use elements like hydrogen, carbon and oxygen in pure forms for measurement of their gamma mass-attenuation coefficients, the measurements are to be done indirectly, by using compounds of the elements or a mixture of them. We give here a simple method of measuring the total mass-attenuation coefficients μ/ρ of the elements in a compound simultaneously and in a single experiment through the measurements of the μ/ρ values of the concerned compounds and using the mixture rule. The method is applied for the measurement of μ/ρ of hydrogen, carbon and oxygen by using acetone, ethanol and 1-propanol. Our results (for E γ =0.123-1.33 MeV) are seen to be in better agreement with the theoretical values of Hubbell and Seltzer (1995) [Hubbell J.H. and Seltzer S.M. (1995). Tables of X-ray mass attenuation coefficients and mass energy-absorption coefficients 1 keV to 20 MeV for elements Z=1 to 92 and 48 additional substances of dosimetric interest. NISTIR 5632] as compared to the results of El-Kateb and Abdul-Hamid (1991) [El-Kateb, A.H., Abdul-Hamid, A.S., 1991. Photon attenuation coefficient study of some materials containing hydrogen, carbon, and oxygen. Appl. Rad. Isot. 42, 303-307

LIGHT CURVES OF CORE-COLLAPSE SUPERNOVAE WITH SUBSTANTIAL MASS LOSS USING THE NEW OPEN-SOURCE SUPERNOVA EXPLOSION CODE (SNEC)

International Nuclear Information System (INIS)

Morozova, Viktoriya; Renzo, Mathieu; Ott, Christian D.; Clausen, Drew; Couch, Sean M.; Ellis, Justin; Roberts, Luke F.; Piro, Anthony L.

2015-01-01

We present the SuperNova Explosion Code (SNEC), an open-source Lagrangian code for the hydrodynamics and equilibrium-diffusion radiation transport in the expanding envelopes of supernovae. Given a model of a progenitor star, an explosion energy, and an amount and distribution of radioactive nickel, SNEC generates the bolometric light curve, as well as the light curves in different broad bands assuming blackbody emission. As a first application of SNEC, we consider the explosions of a grid of 15 M ⊙ (at zero-age main sequence, ZAMS) stars whose hydrogen envelopes are stripped to different extents and at different points in their evolution. The resulting light curves exhibit plateaus with durations of ∼20–100 days if ≳1.5–2 M ⊙ of hydrogen-rich material is left and no plateau if less hydrogen-rich material is left. If these shorter plateau lengths are not seen for SNe IIP in nature, it suggests that, at least for ZAMS masses ≲20 M ⊙ , hydrogen mass loss occurs as an all or nothing process. This perhaps points to the important role binary interactions play in generating the observed mass-stripped supernovae (i.e., Type Ib/c events). These light curves are also unlike what is typically seen for SNe IIL, arguing that simply varying the amount of mass loss cannot explain these events. The most stripped models begin to show double-peaked light curves similar to what is often seen for SNe IIb, confirming previous work that these supernovae can come from progenitors that have a small amount of hydrogen and a radius of ∼500 R ⊙

LIGHT CURVES OF CORE-COLLAPSE SUPERNOVAE WITH SUBSTANTIAL MASS LOSS USING THE NEW OPEN-SOURCE SUPERNOVA EXPLOSION CODE (SNEC)

Energy Technology Data Exchange (ETDEWEB)

Morozova, Viktoriya; Renzo, Mathieu; Ott, Christian D.; Clausen, Drew; Couch, Sean M.; Ellis, Justin; Roberts, Luke F. [TAPIR, Walter Burke Institute for Theoretical Physics, MC 350-17, California Institute of Technology, Pasadena, CA 91125 (United States); Piro, Anthony L., E-mail: morozvs@tapir.caltech.edu [Carnegie Observatories, 813 Santa Barbara Street, Pasadena, CA 91101 (United States)

2015-11-20

We present the SuperNova Explosion Code (SNEC), an open-source Lagrangian code for the hydrodynamics and equilibrium-diffusion radiation transport in the expanding envelopes of supernovae. Given a model of a progenitor star, an explosion energy, and an amount and distribution of radioactive nickel, SNEC generates the bolometric light curve, as well as the light curves in different broad bands assuming blackbody emission. As a first application of SNEC, we consider the explosions of a grid of 15 M{sub ⊙} (at zero-age main sequence, ZAMS) stars whose hydrogen envelopes are stripped to different extents and at different points in their evolution. The resulting light curves exhibit plateaus with durations of ∼20–100 days if ≳1.5–2 M{sub ⊙} of hydrogen-rich material is left and no plateau if less hydrogen-rich material is left. If these shorter plateau lengths are not seen for SNe IIP in nature, it suggests that, at least for ZAMS masses ≲20 M{sub ⊙}, hydrogen mass loss occurs as an all or nothing process. This perhaps points to the important role binary interactions play in generating the observed mass-stripped supernovae (i.e., Type Ib/c events). These light curves are also unlike what is typically seen for SNe IIL, arguing that simply varying the amount of mass loss cannot explain these events. The most stripped models begin to show double-peaked light curves similar to what is often seen for SNe IIb, confirming previous work that these supernovae can come from progenitors that have a small amount of hydrogen and a radius of ∼500 R{sub ⊙}.

Non-constant relative atomic masses due to varying isotopic abundance of polynuclidic elements and their effect on the accuracy of analytical results

International Nuclear Information System (INIS)

Gerstenberger, H.

1981-01-01

Alterations of actual relative atomic masses occur in natural samples by natural isotope ratio shifts of polynuclidic elements. Therefore, using nuclear properties for gaining a measuring signal, isotopic shifts of certain elements may lead to significant measuring errors

Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.

Science.gov (United States)

Lee, Tai-Sung; Hu, Yuan; Sherborne, Brad; Guo, Zhuyan; York, Darrin M

2017-07-11

We report the implementation of the thermodynamic integration method on the pmemd module of the AMBER 16 package on GPUs (pmemdGTI). The pmemdGTI code typically delivers over 2 orders of magnitude of speed-up relative to a single CPU core for the calculation of ligand-protein binding affinities with no statistically significant numerical differences and thus provides a powerful new tool for drug discovery applications.

Stable Chlorine Isotopes and Elemental Chlorine by Thermal Ionization Mass Spectrometry and Ion Chromatography; Martian Meteorites, Carbonaceous Chondrites and Standard Rocks

Science.gov (United States)

Nakamura, N.; Nyquist, L. E.; Reese, Y.; Shih, C.-Y.; Fujitani, T.; Okano, O.

2011-01-01

Recently significantly large mass fractionation of stable chlorine isotopes has been reported for terrestrial and lunar samples [1,2]. In addition, in view of possible early solar system processes [3] and also potential perchlorate-related fluid/microbial activities on the Martian surface [4,5], a large chlorine isotopic fractionation might be expected for some types of planetary materials. Due to analytical difficulties of isotopic and elemental analyses, however, current chlorine analyses for planetary materials are controversial among different laboratories, particularly between IRMS (gas source mass spectrometry) and TIMS (Thermal Ionization Mass Spectrometry) groups [i.e. 1,6,7] for isotopic analyses, as well as between those doing pyrohydrolysis and other groups [i.e. 6,8]. Additional careful investigations of Cl isotope and elemental abundances are required to confirm real chlorine isotope and elemental variations for planetary materials. We have developed a TIMS technique combined with HF-leaching/ion chromatography at NASA JSC that is applicable to analysis of small amounts of meteoritic and planetary materials. We present here results for several standard rocks and meteorites, including Martian meteorites.

Gray Code for Cayley Permutations

Directory of Open Access Journals (Sweden)

J.-L. Baril

2003-10-01

Full Text Available A length-n Cayley permutation p of a total ordered set S is a length-n sequence of elements from S, subject to the condition that if an element x appears in p then all elements y < x also appear in p . In this paper, we give a Gray code list for the set of length-n Cayley permutations. Two successive permutations in this list differ at most in two positions.

Expression and affinity purification of recombinant proteins from plants

Science.gov (United States)

Desai, Urvee A.; Sur, Gargi; Daunert, Sylvia; Babbitt, Ruth; Li, Qingshun

2002-01-01

With recent advances in plant biotechnology, transgenic plants have been targeted as an inexpensive means for the mass production of proteins for biopharmaceutical and industrial uses. However, the current plant purification techniques lack a generally applicable, economic, large-scale strategy. In this study, we demonstrate the purification of a model protein, beta-glucuronidase (GUS), by employing the protein calmodulin (CaM) as an affinity tag. In the proposed system, CaM is fused to GUS. In the presence of calcium, the calmodulin fusion protein binds specifically to a phenothiazine-modified surface of an affinity column. When calcium is removed with a complexing agent, e.g., EDTA, calmodulin undergoes a conformational change allowing the dissociation of the calmodulin-phenothiazine complex and, therefore, permitting the elution of the GUS-CaM fusion protein. The advantages of this approach are the fast, efficient, and economical isolation of the target protein under mild elution conditions, thus preserving the activity of the target protein. Two types of transformation methods were used in this study, namely, the Agrobacterium-mediated system and the viral-vector-mediated transformation system. Copyright 2002 Elsevier Science (USA).

Polynomials associated with equilibria of affine Toda-Sutherland systems

International Nuclear Information System (INIS)

Odake, S; Sasaki, R

2004-01-01

An affine Toda-Sutherland system is a quasi-exactly solvable multi-particle dynamics based on an affine simple root system. It is a 'cross' between two well-known integrable multi-particle dynamics, an affine Toda molecule (exponential potential, periodic nearest-neighbour interaction) and a Sutherland system (inverse sine-square interaction). Polynomials describing the equilibrium positions of affine Toda-Sutherland systems are determined for all affine simple root systems

Different endothelin receptor affinities in dog tissues

International Nuclear Information System (INIS)

Loeffler, B.M.L.; Loehrer, W.

1991-01-01

Endothelin (ET) is a long-lasting potent vasoconstrictor-peptide. Here the authors report different binding affinities of endothelin-1 (ET-1) to ET-receptors of various dog tissues. Crude microsomal fractions were prepared after homogenisation of dog tissues in 50 mM Tris/HCl, 20 mM MnCl2, 1 mM EDTA, pH 7.4 by differential centrifugation. Aliquots of microsomal fractions (70 micrograms of protein) were incubated at 25 degrees C for 180 min in the presence of 20 pM 125I-ET-1 and various concentrations of cold ET-1. Four different ET-1 receptor binding affinities were found: adrenals, cerebrum, liver, heart, skeletal muscle and stomach microsomal membranes contained high affinity binding sites (Kd 50 - 80 pM, Bmax 60 - 250 fmol/mg). In cerebellum and spleen medium affinity ET-1 receptors (Kd 350 pM, Bmax 880 and 1200 fmol/mg respectively) were present. In comparison lung and kidney microsomes contained a low affinity ET-1 receptor (Kd 800 and 880 pM, Bmax 1600 and 350 fmol/mg). Receptors of even lower affinity were present in heart, intestine and liver microsomes with Kd values of 3 - 6 nM

Development and validation of sodium fire codes

International Nuclear Information System (INIS)

Morii, Tadashi; Himeno Yoshiaki; Miyake, Osamu

1989-01-01

Development, verification, and validation of the spray fire code, SPRAY-3M, the pool fire codes, SOFIRE-M2 and SPM, the aerosol behavior code, ABC-INTG, and the simultaneous spray and pool fires code, ASSCOPS, are presented. In addition, the state-of-the-art of development of the multi-dimensional natural convection code, SOLFAS, for the analysis of heat-mass transfer during a fire, is presented. (author)

Accounting for the Effect of Noncondensing Gases on Interphasic Heat and Mass Transfer in the Two-Fluid Model Used in the KORSAR Code

Science.gov (United States)

Yudov, Yu. V.

2018-03-01

A model is presented of the interphasic heat and mass transfer in the presence of noncondensable gases for the KORSAR/GP design code. This code was developed by FGUP NITI and the special design bureau OKB Gidropress. It was certified by Rostekhnadzor in 2009 for numerical substantiation of the safety of reactor installations with VVER reactors. The model is based on the assumption that there are three types of interphasic heat and mass transfer of the vapor component: vapor condensation or evaporation on the interphase under any thermodynamic conditions of the phases, pool boiling of the liquid superheated above the saturation temperature at the total pressure, and spontaneous condensation in the volume of gas phase supercooled below the saturation temperature at the vapor partial pressure. Condensation and evaporation on the interphase continuously occur in a two-phase flow and control the time response of the interphase heat and mass transfer. Boiling and spontaneous condensation take place only at the metastable condition of the phases and run at a quite high speed. The procedure used for calculating condensation and evaporation on the interphase accounts for the combined diffusion and thermal resistance of mass transfer in all regimes of the two-phase flow. The proposed approach accounts for, in a natural manner, a decrease in the rate of steam condensation (or generation) in the presence of noncondensing components in the gas phase due to a decrease (or increase) in the interphase temperature relative to the saturation temperature at the vapor partial pressure. The model of the interphase heat transfer also accounts for the processes of dissolution or release of noncondensing components in or from the liquid. The gas concentration at the interphase and on the saturation curve is calculated by the Henry law. The mass transfer coefficient in gas dissolution is based on the heat and mass transfer analogy. Results are presented of the verification of the

A Novel Vertex Affinity for Community Detection

Energy Technology Data Exchange (ETDEWEB)

Yoo, Andy [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Sanders, Geoffrey [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Henson, Van [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vassilevski, Panayot [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2015-10-05

We propose a novel vertex affinity measure in this paper. The new vertex affinity quantifies the proximity between two vertices in terms of their clustering strength and is ideal for such graph analytics applications as community detection. We also developed a framework that combines simple graph searches and resistance circuit formulas to compute the vertex affinity efficiently. We study the properties of the new affinity measure empirically in comparison to those of other popular vertex proximity metrics. Our results show that the existing metrics are ill-suited for community detection due to their lack of fundamental properties that are essential for correctly capturing inter- and intra-cluster vertex proximity.

Constrained quadratic stabilization of discrete-time uncertain nonlinear multi-model systems using piecewise affine state-feedback

Directory of Open Access Journals (Sweden)

Olav Slupphaug

1999-07-01

Full Text Available In this paper a method for nonlinear robust stabilization based on solving a bilinear matrix inequality (BMI feasibility problem is developed. Robustness against model uncertainty is handled. In different non-overlapping regions of the state-space called clusters the plant is assumed to be an element in a polytope which vertices (local models are affine systems. In the clusters containing the origin in their closure, the local models are restricted to be linear systems. The clusters cover the region of interest in the state-space. An affine state-feedback is associated with each cluster. By utilizing the affinity of the local models and the state-feedback, a set of linear matrix inequalities (LMIs combined with a single nonconvex BMI are obtained which, if feasible, guarantee quadratic stability of the origin of the closed-loop. The feasibility problem is attacked by a branch-and-bound based global approach. If the feasibility check is successful, the Liapunov matrix and the piecewise affine state-feedback are given directly by the feasible solution. Control constraints are shown to be representable by LMIs or BMIs, and an application of the control design method to robustify constrained nonlinear model predictive control is presented. Also, the control design method is applied to a simple example.