GOssTo: a stand-alone application and a web tool for calculating semantic similarities on the Gene Ontology.

Science.gov (United States)

Caniza, Horacio; Romero, Alfonso E; Heron, Samuel; Yang, Haixuan; Devoto, Alessandra; Frasca, Marco; Mesiti, Marco; Valentini, Giorgio; Paccanaro, Alberto

2014-08-01

We present GOssTo, the Gene Ontology semantic similarity Tool, a user-friendly software system for calculating semantic similarities between gene products according to the Gene Ontology. GOssTo is bundled with six semantic similarity measures, including both term- and graph-based measures, and has extension capabilities to allow the user to add new similarities. Importantly, for any measure, GOssTo can also calculate the Random Walk Contribution that has been shown to greatly improve the accuracy of similarity measures. GOssTo is very fast, easy to use, and it allows the calculation of similarities on a genomic scale in a few minutes on a regular desktop machine. alberto@cs.rhul.ac.uk GOssTo is available both as a stand-alone application running on GNU/Linux, Windows and MacOS from www.paccanarolab.org/gossto and as a web application from www.paccanarolab.org/gosstoweb. The stand-alone application features a simple and concise command line interface for easy integration into high-throughput data processing pipelines. © The Author 2014. Published by Oxford University Press.

Mathematical approach for the assessment of similarity factor using a new scheme for calculating weight.

Science.gov (United States)

Gohel, M C; Sarvaiya, K G; Shah, A R; Brahmbhatt, B K

2009-03-01

The objective of the present work was to propose a method for calculating weight in the Moore and Flanner Equation. The percentage coefficient of variation in reference and test formulations at each time point was considered for calculating weight. The literature reported data are used to demonstrate applicability of the method. The advantages and applications of new approach are narrated. The results show a drop in the value of similarity factor as compared to the approach proposed in earlier work. The scientists who need high accuracy in calculation may use this approach.

The Implementation of Cosine Similarity to Calculate Text Relevance between Two Documents

Science.gov (United States)

Gunawan, D.; Sembiring, C. A.; Budiman, M. A.

2018-03-01

Rapidly increasing number of web pages or documents leads to topic specific filtering in order to find web pages or documents efficiently. This is a preliminary research that uses cosine similarity to implement text relevance in order to find topic specific document. This research is divided into three parts. The first part is text-preprocessing. In this part, the punctuation in a document will be removed, then convert the document to lower case, implement stop word removal and then extracting the root word by using Porter Stemming algorithm. The second part is keywords weighting. Keyword weighting will be used by the next part, the text relevance calculation. Text relevance calculation will result the value between 0 and 1. The closer value to 1, then both documents are more related, vice versa.

Self-similarly evolving and minimally dissipated stable states of plasmas realized after relaxation and self-organization processes

International Nuclear Information System (INIS)

Kondoh, Yoshiomi; Hakoiwa, Toru; Okada, Akihito; Kobayashi, Naohiro; Takahashi, Toshiki

2006-01-01

A novel set of simultaneous eigenvalue equations having dissipative terms are derived to find self-similarly evolving and minimally dissipated stable states of plasmas realized after relaxation and self-organization processes. By numerically solving the set of eigenvalue equations in a cylindrical model, typical spatial profiles of plasma parameters, electric and magnetic fields and diffusion factors are presented, all of which determine self-consistently with each other by physical laws and mutual relations among them, just as in experimental plasmas. (author)

InfAcrOnt: calculating cross-ontology term similarities using information flow by a random walk

OpenAIRE

Cheng, Liang; Jiang, Yue; Ju, Hong; Sun, Jie; Peng, Jiajie; Zhou, Meng; Hu, Yang

2018-01-01

Background Since the establishment of the first biomedical ontology Gene Ontology (GO), the number of biomedical ontology has increased dramatically. Nowadays over 300 ontologies have been built including extensively used Disease Ontology (DO) and Human Phenotype Ontology (HPO). Because of the advantage of identifying novel relationships between terms, calculating similarity between ontology terms is one of the major tasks in this research area. Though similarities between terms within each o...

Monin-Obukhov Similarity Functions of the Structure Parameter of Temperature and Turbulent Kinetic Energy Dissipation Rate in the Stable Boundary Layer

NARCIS (Netherlands)

Hartogensis, O.K.; Debruin, H.A.R.

2005-01-01

The Monin-Obukhov similarity theory (MOST) functions fepsi; and fT, of the dissipation rate of turbulent kinetic energy (TKE), ¿, and the structure parameter of temperature, CT2, were determined for the stable atmospheric surface layer using data gathered in the context of CASES-99. These data cover

The centroidal algorithm in molecular similarity and diversity calculations on confidential datasets

Science.gov (United States)

Trepalin, Sergey; Osadchiy, Nikolay

2005-09-01

Chemical structure provides exhaustive description of a compound, but it is often proprietary and thus an impediment in the exchange of information. For example, structure disclosure is often needed for the selection of most similar or dissimilar compounds. Authors propose a centroidal algorithm based on structural fragments (screens) that can be efficiently used for the similarity and diversity selections without disclosing structures from the reference set. For an increased security purposes, authors recommend that such set contains at least some tens of structures. Analysis of reverse engineering feasibility showed that the problem difficulty grows with decrease of the screen's radius. The algorithm is illustrated with concrete calculations on known steroidal, quinoline, and quinazoline drugs. We also investigate a problem of scaffold identification in combinatorial library dataset. The results show that relatively small screens of radius equal to 2 bond lengths perform well in the similarity sorting, while radius 4 screens yield better results in diversity sorting. The software implementation of the algorithm taking SDF file with a reference set generates screens of various radii which are subsequently used for the similarity and diversity sorting of external SDFs. Since the reverse engineering of the reference set molecules from their screens has the same difficulty as the RSA asymmetric encryption algorithm, generated screens can be stored openly without further encryption. This approach ensures an end user transfers only a set of structural fragments and no other data. Like other algorithms of encryption, the centroid algorithm cannot give 100% guarantee of protecting a chemical structure from dataset, but probability of initial structure identification is very small-order of 10-40 in typical cases.

A stable algorithm for calculating phase equilibria with capillarity at specified moles, volume and temperature using a dynamic model

KAUST Repository

Kou, Jisheng

2017-09-30

Capillary pressure can significantly affect the phase properties and flow of liquid-gas fluids in porous media, and thus, the phase equilibrium calculation incorporating capillary pressure is crucial to simulate such problems accurately. Recently, the phase equilibrium calculation at specified moles, volume and temperature (NVT-flash) becomes an attractive issue. In this paper, capillarity is incorporated into the phase equilibrium calculation at specified moles, volume and temperature. A dynamical model for such problem is developed for the first time by using the laws of thermodynamics and Onsager\\'s reciprocal principle. This model consists of the evolutionary equations for moles and volume, and it can characterize the evolutionary process from a non-equilibrium state to an equilibrium state in the presence of capillarity effect at specified moles, volume and temperature. The phase equilibrium equations are naturally derived. To simulate the proposed dynamical model efficiently, we adopt the convex-concave splitting of the total Helmholtz energy, and propose a thermodynamically stable numerical algorithm, which is proved to preserve the second law of thermodynamics at the discrete level. Using the thermodynamical relations, we derive a phase stability condition with capillarity effect at specified moles, volume and temperature. Moreover, we propose a stable numerical algorithm for the phase stability testing, which can provide the feasible initial conditions. The performance of the proposed methods in predicting phase properties under capillarity effect is demonstrated on various cases of pure substance and mixture systems.

World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches.

Science.gov (United States)

Ertl, P

1998-02-01

Easy to use, interactive, and platform-independent WWW-based tools are ideal for development of chemical applications. By using the newly emerging Web technologies such as Java applets and sophisticated scripting, it is possible to deliver powerful molecular processing capabilities directly to the desk of synthetic organic chemists. In Novartis Crop Protection in Basel, a Web-based molecular modelling system has been in use since 1995. In this article two new modules of this system are presented: a program for interactive calculation of important hydrophobic, electronic, and steric properties of organic substituents, and a module for substituent similarity searches enabling the identification of bioisosteric functional groups. Various possible applications of calculated substituent parameters are also discussed, including automatic design of molecules with the desired properties and creation of targeted virtual combinatorial libraries.

Depth compensating calculation method of computer-generated holograms using symmetry and similarity of zone plates

Science.gov (United States)

Wei, Hui; Gong, Guanghong; Li, Ni

2017-10-01

Computer-generated hologram (CGH) is a promising 3D display technology while it is challenged by heavy computation load and vast memory requirement. To solve these problems, a depth compensating CGH calculation method based on symmetry and similarity of zone plates is proposed and implemented on graphics processing unit (GPU). An improved LUT method is put forward to compute the distances between object points and hologram pixels in the XY direction. The concept of depth compensating factor is defined and used for calculating the holograms of points with different depth positions instead of layer-based methods. The proposed method is suitable for arbitrary sampling objects with lower memory usage and higher computational efficiency compared to other CGH methods. The effectiveness of the proposed method is validated by numerical and optical experiments.

On the symmetric α-stable distribution with application to symbol error rate calculations

KAUST Repository

Soury, Hamza

2016-12-24

The probability density function (PDF) of the symmetric α-stable distribution is investigated using the inverse Fourier transform of its characteristic function. For general values of the stable parameter α, it is shown that the PDF and the cumulative distribution function of the symmetric stable distribution can be expressed in terms of the Fox H function as closed-form. As an application, the probability of error of single input single output communication systems using different modulation schemes with an α-stable perturbation is studied. In more details, a generic formula is derived for generalized fading distribution, such as the extended generalized-k distribution. Later, simpler expressions of these error rates are deduced for some selected special cases and compact approximations are derived using asymptotic expansions.

Wall-crossing between stable and co-stable ADHM data

Science.gov (United States)

Ohkawa, Ryo

2018-06-01

We prove formula between Nekrasov partition functions defined from stable and co-stable ADHM data for the plane following method by Nakajima and Yoshioka (Kyoto J Math 51(2):263-335, 2011) based on the theory of wall-crossing formula developed by Mochizuki (Donaldson type invariants for algebraic surfaces: transition of moduli stacks, Lecture notes in mathematics, vol 1972, Springer, Berlin, 2009). This formula is similar to conjectures by Ito et al. [J High Energy Phys 2013(5):045, 2013, (4.1), (4.2)] for A1 singularity.

On the symmetric α-stable distribution with application to symbol error rate calculations

KAUST Repository

Soury, Hamza; Alouini, Mohamed-Slim

2016-01-01

The probability density function (PDF) of the symmetric α-stable distribution is investigated using the inverse Fourier transform of its characteristic function. For general values of the stable parameter α, it is shown that the PDF

InfAcrOnt: calculating cross-ontology term similarities using information flow by a random walk.

Science.gov (United States)

Cheng, Liang; Jiang, Yue; Ju, Hong; Sun, Jie; Peng, Jiajie; Zhou, Meng; Hu, Yang

2018-01-19

Since the establishment of the first biomedical ontology Gene Ontology (GO), the number of biomedical ontology has increased dramatically. Nowadays over 300 ontologies have been built including extensively used Disease Ontology (DO) and Human Phenotype Ontology (HPO). Because of the advantage of identifying novel relationships between terms, calculating similarity between ontology terms is one of the major tasks in this research area. Though similarities between terms within each ontology have been studied with in silico methods, term similarities across different ontologies were not investigated as deeply. The latest method took advantage of gene functional interaction network (GFIN) to explore such inter-ontology similarities of terms. However, it only used gene interactions and failed to make full use of the connectivity among gene nodes of the network. In addition, all existent methods are particularly designed for GO and their performances on the extended ontology community remain unknown. We proposed a method InfAcrOnt to infer similarities between terms across ontologies utilizing the entire GFIN. InfAcrOnt builds a term-gene-gene network which comprised ontology annotations and GFIN, and acquires similarities between terms across ontologies through modeling the information flow within the network by random walk. In our benchmark experiments on sub-ontologies of GO, InfAcrOnt achieves a high average area under the receiver operating characteristic curve (AUC) (0.9322 and 0.9309) and low standard deviations (1.8746e-6 and 3.0977e-6) in both human and yeast benchmark datasets exhibiting superior performance. Meanwhile, comparisons of InfAcrOnt results and prior knowledge on pair-wise DO-HPO terms and pair-wise DO-GO terms show high correlations. The experiment results show that InfAcrOnt significantly improves the performance of inferring similarities between terms across ontologies in benchmark set.

A few ways of calculating the similarity parameter kappa* for real gases. [increase Reynolds number in cryogenic wind tunnels

Science.gov (United States)

Lorenz-Meyer, W.

1977-01-01

In connection with the question on the applicability of test results obtained from cryogenic wind tunnels to the large-scale model the similarity parameter is referred to. A simple method is given for calculating the similarity parameter. From the numerical values obtained it can be deduced that nitrogen behaves practically like an ideal gas when it is close to the saturation point and in a pressure range up to 4 bar. The influence of this parameter on the pressure distribution of a supercritical profile confirms this finding.

Spousal similarity in life satisfaction before and after divorce.

Science.gov (United States)

Wortman, Jessica; Lucas, Richard E

2016-04-01

Previous research has explored possible origins of individual differences in subjective well-being, focusing largely on stable, internal characteristics of traits as predictors of life satisfaction (Diener & Lucas, 1999). Although past work has demonstrated that life satisfaction is largely stable over the life span, other evidence has also demonstrated the lasting impact of life events. In this study, we use married couples as a test of the impact of life circumstances on life satisfaction, focusing on similarity in life satisfaction before and after divorce. If life satisfaction is impacted by shared life circumstances, married couples (who share life circumstances) should show greater similarity in life satisfaction before divorce than after. We tested this possibility using a dyadic latent-state-trait model that examined cross-spouse similarity in the stable and changing components of life satisfaction. Using a nationally representative panel study from Germany (Wagner, Frick & Schupp, 2007), we showed that similarity declined substantially following divorce. This suggests that life satisfaction is related to shared life circumstances. (c) 2016 APA, all rights reserved).

Local Similarity in the Stable Boundary Layer and Mixing-Length Approaches : Consistency of Concepts

NARCIS (Netherlands)

Van de Wiel, B.J.H.; Moene, A.F.; De Ronde, W.H.; Jonker, H.J.J.

2008-01-01

In stably stratified flows vertical movement of eddies is limited by the fact that kinetic energy is converted into potential energy, leading to a buoyancy displacement scale z B . Our new mixing-length concept for turbulent transport in the stable boundary layer follows a rigid-wall analogy, in the

Local similarity in the stable boundary layer and mixing-length approaches: consistency of concepts

NARCIS (Netherlands)

Wiel, van de B.J.H.; Moene, A.F.; Ronde, W.H.; Jonker, H.J.J.

2008-01-01

In stably stratified flows vertical movement of eddies is limited by the fact that kinetic energy is converted into potential energy, leading to a buoyancy displacement scale z B . Our new mixing-length concept for turbulent transport in the stable boundary layer follows a rigid-wall analogy, in the

Local similarity in the stable boundary layer and mixing-length approaches : consistency of concepts

NARCIS (Netherlands)

Wiel, van de B.J.H.; Moene, A.F.; Ronde, de W.H.; Jonker, H.J.J.

2008-01-01

In stably stratified flows vertical movement of eddies is limited by the fact that kinetic energy is converted into potential energy, leading to a buoyancy displacement scale zB. Our new mixing-length concept for turbulent transport in the stable boundary layer follows a rigid-wall analogy, in the

Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

International Nuclear Information System (INIS)

Xu, Shao-Gang; Liao, Ji-Hai; Zhao, Yu-Jun; Yang, Xiao-Bao

2015-01-01

The unique electronic property induced diversified structure of boron (B) cluster has attracted much interest from experimentalists and theorists. B 30–40 were reported to be planar fragments of triangular lattice with proper concentrations of vacancies recently. Here, we have performed high-throughput screening for possible B clusters through the first-principles calculations, including various shapes and distributions of vacancies. As a result, we have determined the structures of B n clusters with n = 30–51 and found a stable planar cluster of B 49 with a double-hexagon vacancy. Considering the 8-electron rule and the electron delocalization, a concise model for the distribution of the 2c–2e and 3c–2e bonds has been proposed to explain the stability of B planar clusters, as well as the reported B cages

Protein Stable Isotope Fingerprinting (P-SIF): Multidimensional Protein Chromatography Coupled to Stable Isotope-Ratio Mass Spectrometry

Science.gov (United States)

Pearson, A.; Bovee, R. J.; Mohr, W.; Tang, T.

2012-12-01

As metagenomics increases our insight into microbial community diversity and metabolic potential, new approaches are required to determine the biogeochemical expression of this potential within ecosystems. Because stable isotopic analysis of the major bioactive elements (C, N) has been used historically to map flows of substrates and energy among macroscopic food webs, similar principles may apply to microbes. To address this challenge, we have developed a new analytical approach called Protein Stable Isotope Fingerprinting (P-SIF). P-SIF generates natural stable isotopic fingerprints of microbial individual or community proteomes. The main advantage of P-SIF is the potential to bridge the gap between diversity and function, thereby providing a window into the "black box" of environmental microbiology and helping to decipher the roles of uncultivated species. Our method implements a three-way, orthogonal scheme to separate mixtures of whole proteins into subfractions dominated by single or closely-related proteins. Protein extracts first are isoelectrically focused in a gel-free technique that yields 12 fractions separated over a gradient of pH 3-10. Each fraction then is separated by size-exclusion chromatography into 20 pools, ranging from >100kD to ~10kD. Finally, each of these pools is subjected to HPLC and collected in 40 time-slices based on protein hydrophobicity. Theoretical calculation reveals that the true chromatographic resolution of the total scheme is 5000, somewhat less than the 9600 resulting fractions. High-yielding fractions are subjected to δ13C analysis by spooling-wire microcombustion irMS (SWiM-irMS) optimized for samples containing 1-5 nmol carbon. Here we will present the method, results for a variety of pure cultures, and preliminary data for a sample of mixed environmental proteins. The data show the promise of this method for unraveling the metabolic complexity hidden within microbial communities.

Further Stable methods for the calculation of partition functions

International Nuclear Information System (INIS)

Wilson, B G; Gilleron, F; Pain, J

2007-01-01

The extension to recursion over holes of the Gilleron and Pain method for calculating partition functions of a canonical ensemble of non-interacting bound electrons is presented as well as a generalization for the efficient computation of collisional line broadening

Calculation of turnover rates in stable-isotope studies

International Nuclear Information System (INIS)

Wootton, R.; Ford, G.C.; Cheng, K.N.; Halliday, D.

1985-01-01

In a comparison of glucose turnover measured with 2 H-glucose and with 13 C-glucose Tserng and Kalhan used five apparently different equations and obtained conflicting answers. There is, however, no difference in principle between the use of a stable isotope as a tracer and the use of a radioactive isotope, and the rate of appearance of tracee in a steady-state system (the turnover) can therefore be shown to be proportional to the equilibrium dilution of the infused tracer. Because the sensitivity of measurement of this dilution made using a gas chromatograph-mass spectrometer is lower than that made by radioactivity measurement, the contribution to the measured turnover rate due to the infusate cannot be neglected, as it usually is in radioisotope work. A convenient calibration curve to establish this dilution is the mole ratio of the pure infusate against the area ratio for the relevant ions. Tserng and Kalhan's apparently conflicting results for glucose-turnover using 13 C-glucose as the tracer can all be shown to amount to approximately 11.6 μmol min -1 kg -1 . This value is only slightly lower (0.05 2 H-glucose as the tracer and supports the use of 13 C-glucose as an alternative. (author)

Preparation and characterization of stable aqueous higher-order fullerenes

International Nuclear Information System (INIS)

Aich, Nirupam; Flora, Joseph R V; Saleh, Navid B

2012-01-01

Stable aqueous suspensions of nC 60 and individual higher fullerenes, i.e. C 70 , C 76 and C 84 , are prepared by a calorimetric modification of a commonly used liquid–liquid extraction technique. The energy requirement for synthesis of higher fullerenes has been guided by molecular-scale interaction energy calculations. Solubilized fullerenes show crystalline behavior by exhibiting lattice fringes in high resolution transmission electron microscopy images. The fullerene colloidal suspensions thus prepared are stable with a narrow distribution of cluster radii (42.7 ± 0.8 nm, 46.0 ± 14.0 nm, 60 ± 3.2 nm and 56.3 ± 1.1 nm for nC 60 , nC 70 , nC 76 and nC 84 , respectively) as measured by time-resolved dynamic light scattering. The ζ-potential values for all fullerene samples showed negative surface potentials with similar magnitude ( − 38.6 ± 5.8 mV, − 39.1 ± 4.2 mV, − 38.9 ± 5.8 mV and − 41.7 ± 5.1 mV for nC 60 , nC 70 , nC 76 and nC 84 , respectively), which provide electrostatic stability to the colloidal clusters. This energy-based modified solubilization technique to produce stable aqueous fullerenes will likely aid in future studies focusing on better applicability, determination of colloidal properties, and understanding of environmental fate, transport and toxicity of higher-order fullerenes. (paper)

Humor style similarity and difference in friendship dyads.

Science.gov (United States)

Hunter, Simon C; Fox, Claire L; Jones, Siân E

2016-01-01

This study assessed the concurrent and prospective (fall to spring) associations between four different humor styles to assess the degree to which stable friendships are characterized by similarity, and to assess whether best friends' humor styles influence each other's later use of humor. Participants were aged 11-13 years, with 87 stable, reciprocal best friend dyads. Self-report assessments of humor styles were completed on both occasions. Results indicated that there was no initial similarity in dyads' levels of humor. However, dyads' use of humor that enhances interpersonal relationships (Affiliative humor) became positively correlated by spring. Additionally, young people's use of this humor style was positively associated with their best friend's later use of the same. No such effects were present for humor which was aggressive, denigrating toward the self, or used to enhance the self. These results have clear implications for theories of humor style development, highlighting an important role for Affiliative humor within stable friendship dyads. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Evaporation and abstraction determined from stable isotopes during normal flow on the Gariep River, South Africa

Science.gov (United States)

Diamond, Roger E.; Jack, Sam

2018-04-01

Changes in the stable isotope composition of water can, with the aid of climatic parameters, be used to calculate the quantity of evaporation from a water body. Previous workers have mostly focused on small, research catchments, with abundant data, but of limited scope. This study aimed to expand such work to a regional or sub-continental scale. The first full length isotope survey of the Gariep River quantifies evaporation on the river and the man-made reservoirs for the first time, and proposes a technique to calculate abstraction from the river. The theoretically determined final isotope composition for an evaporating water body in the given climate lies on the empirically determined local evaporation line, validating the assumptions and inputs to the Craig-Gordon evaporation model that was used. Evaporation from the Gariep River amounts to around 20% of flow, or 40 m3/s, of which about half is due to evaporation from the surface of the Gariep and Vanderkloof Reservoirs, showing the wastefulness of large surface water impoundments. This compares well with previous estimates based on evapotranspiration calculations, and equates to around 1300 GL/a of water, or about the annual water consumption of Johannesburg and Pretoria, where over 10 million people reside. Using similar evaporation calculations and applying existing transpiration estimates to a gauged length of river, the remaining quantity can be attributed to abstraction, amounting to 175 L/s/km in the lower middle reaches of the river. Given that high water demand and climate change are global problems, and with the challenges of maintaining water monitoring networks, stable isotopes are shown to be applicable over regional to national scales for modelling hydrological flows. Stable isotopes provide a complementary method to conventional flow gauging for understanding hydrology and management of large water resources, particularly in arid areas subject to significant evaporation.

Similarity increases altruistic punishment in humans.

Science.gov (United States)

Mussweiler, Thomas; Ockenfels, Axel

2013-11-26

Humans are attracted to similar others. As a consequence, social networks are homogeneous in sociodemographic, intrapersonal, and other characteristics--a principle called homophily. Despite abundant evidence showing the importance of interpersonal similarity and homophily for human relationships, their behavioral correlates and cognitive foundations are poorly understood. Here, we show that perceived similarity substantially increases altruistic punishment, a key mechanism underlying human cooperation. We induced (dis)similarity perception by manipulating basic cognitive mechanisms in an economic cooperation game that included a punishment phase. We found that similarity-focused participants were more willing to punish others' uncooperative behavior. This influence of similarity is not explained by group identity, which has the opposite effect on altruistic punishment. Our findings demonstrate that pure similarity promotes reciprocity in ways known to encourage cooperation. At the same time, the increased willingness to punish norm violations among similarity-focused participants provides a rationale for why similar people are more likely to build stable social relationships. Finally, our findings show that altruistic punishment is differentially involved in encouraging cooperation under pure similarity vs. in-group conditions.

Calculation of similarity solutions of partial differential equations

International Nuclear Information System (INIS)

Dresner, L.

1980-08-01

When a partial differential equation in two independent variables is invariant to a group G of stretching transformations, it has similarity solutions that can be found by solving an ordinary differential equation. Under broad conditions, this ordinary differential equation is also invariant to another stretching group G', related to G. The invariance of the ordinary differential equation to G' can be used to simplify its solution, particularly if it is of second order. Then a method of Lie's can be used to reduce it to a first-order equation, the study of which is greatly facilitated by analysis of its direction field. The method developed here is applied to three examples: Blasius's equation for boundary layer flow over a flat plate and two nonlinear diffusion equations, cc/sub t/ = c/sub zz/ and c/sub t/ = (cc/sub z/)/sub z/

Specific-activity relationships for calculating doses from irrigation with contaminated groundwater: the case of 129I, 14C and 36Cl

International Nuclear Information System (INIS)

Amiro, B.D.

1996-01-01

The postclosure assessment of the Canadian concept for disposal of nuclear fuel waste uses mathematical models to estimate the radiological dose to humans from a deep geological vault. A model BIOTRAC is used to calculate radionuclide transport through the biosphere over very long times. Although BIOTRAC is our most comprehensive tool for estimating the transport and potential consequences of radionuclides in the biosphere, we have also used specific-activity models as an independent method to ensure that doses are not underestimated. Specific-activity models are based on the concept that a radionuclide and its corresponding stable isotope behave similarly. This is a reasonable assumption for radionuclides that are mobile and have a large inventory of stable isotopes in the biosphere. A simple assumption is that the specific activity of a radionuclide in humans is the same as that in contaminated groundwater. This results in an upper limit to dose because further isotopic dilution in the biosphere will decrease the specific activity. This relationship holds if the radionuclide and stable isotope behave similarly, which should happen if they are in the same chemical form. However, this is a very high limit and is likely overly conservative because there are other stable isotope pools in the biosphere to enhance isotopic dilution. Also, the primary pathway for radionuclides to enter the biosphere is through irrigation with contaminated waste, and some of the radionuclide and stable element will be lost to the atmosphere or leached from the soil. This begs the question: What is reasonable specific activity to use for calculating doses to humans from an irrigation scenario?

Self-similar pattern formation and continuous mechanics of self-similar systems

Directory of Open Access Journals (Sweden)

A. V. Dyskin

2007-01-01

Full Text Available In many cases, the critical state of systems that reached the threshold is characterised by self-similar pattern formation. We produce an example of pattern formation of this kind – formation of self-similar distribution of interacting fractures. Their formation starts with the crack growth due to the action of stress fluctuations. It is shown that even when the fluctuations have zero average the cracks generated by them could grow far beyond the scale of stress fluctuations. Further development of the fracture system is controlled by crack interaction leading to the emergence of self-similar crack distributions. As a result, the medium with fractures becomes discontinuous at any scale. We develop a continuum fractal mechanics to model its physical behaviour. We introduce a continuous sequence of continua of increasing scales covering this range of scales. The continuum of each scale is specified by the representative averaging volume elements of the corresponding size. These elements determine the resolution of the continuum. Each continuum hides the cracks of scales smaller than the volume element size while larger fractures are modelled explicitly. Using the developed formalism we investigate the stability of self-similar crack distributions with respect to crack growth and show that while the self-similar distribution of isotropically oriented cracks is stable, the distribution of parallel cracks is not. For the isotropically oriented cracks scaling of permeability is determined. For permeable materials (rocks with self-similar crack distributions permeability scales as cube of crack radius. This property could be used for detecting this specific mechanism of formation of self-similar crack distributions.

Comprehensive first-principles study of stable stacking faults in hcp metals

International Nuclear Information System (INIS)

Yin, Binglun; Wu, Zhaoxuan; Curtin, W.A.

2017-01-01

The plastic deformation in hcp metals is complex, with the associated dislocation core structures and properties not well understood on many slip planes in most hcp metals. A first step in establishing the dislocation properties is to examine the stable stacking fault energy and its structure on relevant slip planes. However, this has been perplexing in the hcp structure due to additional in-plane displacements on both sides of the slip plane. Here, density functional theory guided by crystal symmetry analysis is used to study all relevant stable stacking faults in 6 hcp metals (Mg, Ti, Zr, Re, Zn, Cd). Specially, the stable stacking fault energy, position, and structure on the Basal, Prism I and II, Pyramidal I and II planes are determined using all-periodic supercells with full atomic relaxation. All metals show similar stacking fault position and structure as dictated by crystal symmetry, but the associated stacking fault energy, being governed by the atomic bonding, differs significantly among them. Stacking faults on all the slip planes except the Basal plane show substantial out-of-plane displacements while stacking faults on the Prism II, Pyramidal I and II planes show additional in-plane displacements, all extending to multiple atom layers. The in-plane displacements are not captured in the standard computational approach for stacking faults, and significant differences are shown in the energies of such stacking faults between the standard approach and fully-relaxed case. The existence of well-defined stable stacking fault on the Pyramidal planes suggests zonal dislocations are unlikely. Calculations on the equilibrium partial separation further suggests 〈c + a〉 dissociation into three partials on the Pyramidal I plane is unlikely and 〈c〉 dissociation on Prism planes is unlikely to be stable against climb-dissociation onto the Basal planes in these metals.

A Model-Based Approach to Constructing Music Similarity Functions

Directory of Open Access Journals (Sweden)

Lamere Paul

2007-01-01

Full Text Available Several authors have presented systems that estimate the audio similarity of two pieces of music through the calculation of a distance metric, such as the Euclidean distance, between spectral features calculated from the audio, related to the timbre or pitch of the signal. These features can be augmented with other, temporally or rhythmically based features such as zero-crossing rates, beat histograms, or fluctuation patterns to form a more well-rounded music similarity function. It is our contention that perceptual or cultural labels, such as the genre, style, or emotion of the music, are also very important features in the perception of music. These labels help to define complex regions of similarity within the available feature spaces. We demonstrate a machine-learning-based approach to the construction of a similarity metric, which uses this contextual information to project the calculated features into an intermediate space where a music similarity function that incorporates some of the cultural information may be calculated.

A Model-Based Approach to Constructing Music Similarity Functions

Science.gov (United States)

West, Kris; Lamere, Paul

2006-12-01

Several authors have presented systems that estimate the audio similarity of two pieces of music through the calculation of a distance metric, such as the Euclidean distance, between spectral features calculated from the audio, related to the timbre or pitch of the signal. These features can be augmented with other, temporally or rhythmically based features such as zero-crossing rates, beat histograms, or fluctuation patterns to form a more well-rounded music similarity function. It is our contention that perceptual or cultural labels, such as the genre, style, or emotion of the music, are also very important features in the perception of music. These labels help to define complex regions of similarity within the available feature spaces. We demonstrate a machine-learning-based approach to the construction of a similarity metric, which uses this contextual information to project the calculated features into an intermediate space where a music similarity function that incorporates some of the cultural information may be calculated.

Multi-Scale Scattering Transform in Music Similarity Measuring

Science.gov (United States)

Wang, Ruobai

Scattering transform is a Mel-frequency spectrum based, time-deformation stable method, which can be used in evaluating music similarity. Compared with Dynamic time warping, it has better performance in detecting similar audio signals under local time-frequency deformation. Multi-scale scattering means to combine scattering transforms of different window lengths. This paper argues that, multi-scale scattering transform is a good alternative of dynamic time warping in music similarity measuring. We tested the performance of multi-scale scattering transform against other popular methods, with data designed to represent different conditions.

Axisymmetric MHD stable sloshing ion distributions

International Nuclear Information System (INIS)

Berk, H.L.; Dominguez, N.; Roslyakov, G.V.

1986-07-01

The MHD stability of a sloshing ion distribution is investigated in a symmetric mirror cell. Fokker-Planck calculations show that stable configurations are possible for ion injection energies that are at least 150 times greater than the electron temperture. Special axial magnetic field profiles are suggested to optimize the favorable MHD properties

Distribution of radiocesium and stable elements within a pine tree

International Nuclear Information System (INIS)

Yoshida, S.; Watanabe, M.; Suzuki, A.

2011-01-01

Distributions of 137 Cs and stable elements in different parts of a pine tree collected in Chernobyl-contaminated area in Belarus were determined. Samples include annual tree rings of wood, branches and needles with different ages. The concentrations of 137 Cs and stable Cs in annual tree rings were the highest in cambium and decreased sharply towards inside. The youngest needles and branches contained higher 137 Cs and stable Cs than older ones. The concentration of 137 Cs being highest in growing parts suggests the highest radiation dose to the radiation-sensitive parts of tree. Distribution patterns of stable elements in pine tree differ among the elements. Distributions similar to those of Cs were observed for K and Rb, suggesting that alkaline metals tend to be translocated to young growing parts of pine tree. A similar distribution was also observed for phosphorus. Distributions of alkaline earth metals and several heavy metals were different from those of alkaline metals. (authors)

Detonation of Meta-stable Clusters

Energy Technology Data Exchange (ETDEWEB)

Kuhl, Allen; Kuhl, Allen L.; Fried, Laurence E.; Howard, W. Michael; Seizew, Michael R.; Bell, John B.; Beckner, Vincent; Grcar, Joseph F.

2008-05-31

We consider the energy accumulation in meta-stable clusters. This energy can be much larger than the typical chemical bond energy (~;;1 ev/atom). For example, polymeric nitrogen can accumulate 4 ev/atom in the N8 (fcc) structure, while helium can accumulate 9 ev/atom in the excited triplet state He2* . They release their energy by cluster fission: N8 -> 4N2 and He2* -> 2He. We study the locus of states in thermodynamic state space for the detonation of such meta-stable clusters. In particular, the equilibrium isentrope, starting at the Chapman-Jouguet state, and expanding down to 1 atmosphere was calculated with the Cheetah code. Large detonation pressures (3 and 16 Mbar), temperatures (12 and 34 kilo-K) and velocities (20 and 43 km/s) are a consequence of the large heats of detonation (6.6 and 50 kilo-cal/g) for nitrogen and helium clusters respectively. If such meta-stable clusters could be synthesized, they offer the potential for large increases in the energy density of materials.

Effects of euthanasia method on stable-carbon and stable-nitrogen isotope analysis for an ectothermic vertebrate.

Science.gov (United States)

Atwood, Meredith A

2013-04-30

Stable isotope analysis is a critical tool for understanding ecological food webs; however, results can be sensitive to sample preparation methods. To limit the possibility of sample contamination, freezing is commonly used to euthanize invertebrates and preserve non-lethal samples from vertebrates. For destructive sampling of vertebrates, more humane euthanasia methods are preferred to freezing and it is essential to evaluate how these euthanasia methods affect stable isotope results. Stable isotope ratios and elemental composition of carbon and nitrogen were used to evaluate whether the euthanasia method compromised the integrity of the sample for analysis. Specifically, the stable isotope and C:N ratios were compared for larval wood frogs (Rana sylvatica  =  Lithobates sylvaticus), an ectothermic vertebrate, that had been euthanized by freezing with four different humane euthanasia methods: CO2, benzocaine, MS-222 (tricaine methanesulfonate), and 70% ethanol. The euthanasia method was not related to the δ(13)C or δ(15)N values and the comparisons revealed no differences between freezing and any of the other treatments. However, there were slight (non-significant) differences in the isotope ratios of benzocaine and CO2 when each was compared with freezing. The elemental composition was altered by the euthanasia method employed. The percentage nitrogen was higher in CO2 treatments than in freezing, and similar (non-significant) trends were seen for ethanol treatments relative to freezing. The resulting C:N ratios were higher for benzocaine treatments than for both CO2 and ethanol. Similar (non-significant) trends suggested that the C:N ratios were also higher for animals euthanized by freezing than for both CO2 and ethanol euthanasia methods. The euthanasia method had a larger effect on elemental composition than stable isotope ratios. The percentage nitrogen and the subsequent C:N ratios were most affected by the CO2 and ethanol euthanasia methods, whereas

Crack growth and development of fracture zones in plain concrete and similar materials

International Nuclear Information System (INIS)

Petersson, P.-E.

1981-12-01

A calculation model (the Fictitious Crack Model), based on fracture mechanics and the finite element method, is presented. In the model the fracture zone in front of a crack is represented by a fictitious crack that is able to transfer stress. The stress transferring capability of the fictitious crack normally decreases when the crack width increases. The applicability of linear elastic fracture mechanics to concrete and similar materials is analysed by use of the Fictitious Crack Model. The complete tensile stress-strain curve is introduced as a fracture mechanical parameter. The curve can be approximately determined if the tensile strength, the Young's modulus and the fracture energy are known. Suitable test methods for determining these properties are presented and test results are reported for a number of concrete qualities. A new type of very stiff tensile testing machine is presented by which it is possible to carry out stable tensile tests on concrete. The complete tensile stress-strain curves have been determined for a number of concrete qualities. A complete system for analysing crack propagation in concrete is covered, as a realistic material model, a functional calculation model and methods for determining the material properties necessary for the calculations are included. (Auth.)

Titanium stable isotope investigation of magmatic processes on the Earth and Moon

Science.gov (United States)

Millet, Marc-Alban; Dauphas, Nicolas; Greber, Nicolas D.; Burton, Kevin W.; Dale, Chris W.; Debret, Baptiste; Macpherson, Colin G.; Nowell, Geoffrey M.; Williams, Helen M.

2016-09-01

We present titanium stable isotope measurements of terrestrial magmatic samples and lunar mare basalts with the aims of constraining the composition of the lunar and terrestrial mantles and evaluating the potential of Ti stable isotopes for understanding magmatic processes. Relative to the OL-Ti isotope standard, the δ49Ti values of terrestrial samples vary from -0.05 to +0.55‰, whereas those of lunar mare basalts vary from -0.01 to +0.03‰ (the precisions of the double spike Ti isotope measurements are ca. ±0.02‰ at 95% confidence). The Ti stable isotope compositions of differentiated terrestrial magmas define a well-defined positive correlation with SiO2 content, which appears to result from the fractional crystallisation of Ti-bearing oxides with an inferred isotope fractionation factor of ΔTi49oxide-melt = - 0.23 ‰ ×106 /T2. Primitive terrestrial basalts show no resolvable Ti isotope variations and display similar values to mantle-derived samples (peridotite and serpentinites), indicating that partial melting does not fractionate Ti stable isotopes and that the Earth's mantle has a homogeneous δ49Ti composition of +0.005 ± 0.005 (95% c.i., n = 29). Eclogites also display similar Ti stable isotope compositions, suggesting that Ti is immobile during dehydration of subducted oceanic lithosphere. Lunar basalts have variable δ49Ti values; low-Ti mare basalts have δ49Ti values similar to that of the bulk silicate Earth (BSE) while high-Ti lunar basalts display small enrichment in the heavy Ti isotopes. This is best interpreted in terms of source heterogeneity resulting from Ti stable isotope fractionation associated with ilmenite-melt equilibrium during the generation of the mantle source of high-Ti lunar mare basalts. The similarity in δ49Ti between terrestrial samples and low-Ti lunar basalts provides strong evidence that the Earth and Moon have identical stable Ti isotope compositions.

Ab Initio Calculations of Oxosulfatovanadates

DEFF Research Database (Denmark)

Frøberg, Torben; Johansen, Helge

1996-01-01

Restricted Hartree-Fock and multi-configurational self-consistent-field calculations together with secondorder perturbation theory have been used to study the geometry, the electron density, and the electronicspectrum of (VO2SO4)-. A bidentate sulphate attachment to vanadium was found to be stabl...

Stable and unstable crack growth in Type 304 stainless steel plate

International Nuclear Information System (INIS)

Yagawa, G.

1984-01-01

Experimental and theoretical results on stable as well as unstable fractures for Type 304 stainless steel plates with a central crack subjected to tension force are given. In the experiment using a testing machine with a special spring for high compliance, the transition points from the stable to the unstable crack growth are observed and comparisons are made between the test results and the finite element solutions. A round robin calculation for the elastic-plastic stable crack growth using one of the specimens mentioned above is also given. (orig.)

A Stable-Matching-Based User Linking Method with User Preference Order

Directory of Open Access Journals (Sweden)

Xuzhong Wang

2017-01-01

Full Text Available With the development of social networks, more and more users choose to use multiple accounts from different networks to meet their needs. Linking a particular user’s multiple accounts not only can improve user’s experience of the net-services such as recommender system, but also plays a significant role in network security. However, multiple accounts of the same user are often not directly linked to each other, and further, the privacy policy provided by the service provider makes it harder to find accounts for a particular user. In this paper, we propose a stable-matching-based method with user preference order for the problem of low accuracy of user linking in cross-media sparse data. Different from the traditional way which just calculates the similarity of accounts, we take full account of the mutual influence among multiple accounts by regarding different networks as bilateral (multilateral market and user linking as a stable matching problem in such a market. Based on the combination of Game-Theoretic Machine Learning and Pairwise, a novel user linking method has been proposed. The experiment shows that our method has a 21.6% improvement in accuracy compared with the traditional linking method and a further increase of about 7.8% after adding the prior knowledge.

Force production during squats performed with a rotational resistance device under stable versus unstable conditions.

Science.gov (United States)

Moras, Gerard; Vázquez-Guerrero, Jairo

2015-11-01

[Purpose] Force production during a squat action on a rotational resistance device (RRD) under stable and unstable conditions. [Subjects and Methods] Twenty-one healthy males were asked to perform six sets of six repetitions of squats on an RRD on either stable or unstable surfaces. The stable and unstable sets were performed on different days. Muscular outputs were obtained from a linear encoder and a strain gauge fixed to a vest. [Results] Overall, the results showed no significant differences for any of the dependent variables across exercise modes. Forcemean outputs were higher in the concentric phase than in the eccentric phase for each condition, but there were no differences in velocity, time or displacement. The forcepeak was similar in the eccentric and concentric phases of movement under both stable and unstable conditions. There were no significant differences in forcemean between sets per condition or between conditions. [Conclusion] These results suggest that performing squats with a RRD achieves similar forcemean and forcepeak under stable and unstable conditions. The forcepeak produced is also similar in concentric and eccentric phases.

Stable convergence and stable limit theorems

CERN Document Server

Häusler, Erich

2015-01-01

The authors present a concise but complete exposition of the mathematical theory of stable convergence and give various applications in different areas of probability theory and mathematical statistics to illustrate the usefulness of this concept. Stable convergence holds in many limit theorems of probability theory and statistics – such as the classical central limit theorem – which are usually formulated in terms of convergence in distribution. Originated by Alfred Rényi, the notion of stable convergence is stronger than the classical weak convergence of probability measures. A variety of methods is described which can be used to establish this stronger stable convergence in many limit theorems which were originally formulated only in terms of weak convergence. Naturally, these stronger limit theorems have new and stronger consequences which should not be missed by neglecting the notion of stable convergence. The presentation will be accessible to researchers and advanced students at the master's level...

The neodymium stable isotope composition of the silicate Earth and chondrites

Science.gov (United States)

McCoy-West, Alex J.; Millet, Marc-Alban; Burton, Kevin W.

2017-12-01

The non-chondritic neodymium (Nd) 142Nd/144Nd ratio of the silicate Earth potentially provides a key constraint on the accretion and early evolution of the Earth. Yet, it is debated whether this offset is due to the Earth being formed from material enriched in s-process Nd isotopes or results from an early differentiation process such as the segregation of a late sulfide matte during core formation, collisional erosion or a some combination of these processes. Neodymium stable isotopes are potentially sensitive to early sulfide segregation into Earth's core, a process that cannot be resolved using their radiogenic counterparts. This study presents the first comprehensive Nd stable isotope data for chondritic meteorites and terrestrial rocks. Stable Nd measurements were made using a double spike technique coupled with thermal ionisation mass spectrometry. All three of the major classes of chondritic meteorites, carbonaceous, enstatite and ordinary chondrites have broadly similar isotopic compositions allowing calculation of a chondritic mean of δ146/144Nd = -0.025 ± 0.025‰ (±2 s.d.; n = 39). Enstatite chondrites yield the most uniform stable isotope composition (Δ146/144Nd = 26 ppm), with considerably more variability observed within ordinary (Δ146/144Nd = 72 ppm) and carbonaceous meteorites (Δ146/144Nd = 143 ppm). Terrestrial weathering, nucleosynthetic variations and parent body thermal metamorphism appear to have little measurable effect on δ146/144Nd in chondrites. The small variations observed between ordinary chondrite groups most likely reflect inherited compositional differences between parent bodies, with the larger variations observed in carbonaceous chondrites being linked to varying modal proportions of calcium-aluminium rich inclusions. The terrestrial samples analysed here include rocks ranging from basaltic to rhyolitic in composition, MORB glasses and residual mantle lithologies. All of these terrestrial rocks possess a broadly similar Nd

Assessing the stability of free-energy perturbation calculations by performing variations in the method

Science.gov (United States)

Manzoni, Francesco; Ryde, Ulf

2018-03-01

We have calculated relative binding affinities for eight tetrafluorophenyl-triazole-thiogalactoside inhibitors of galectin-3 with the alchemical free-energy perturbation approach. We obtain a mean absolute deviation from experimental estimates of only 2-3 kJ/mol and a correlation coefficient (R 2) of 0.5-0.8 for seven relative affinities spanning a range of up to 11 kJ/mol. We also studied the effect of using different methods to calculate the charges of the inhibitor and different sizes of the perturbed group (the atoms that are described by soft-core potentials and are allowed to have differing coordinates). However, the various approaches gave rather similar results and it is not possible to point out one approach as consistently and significantly better than the others. Instead, we suggest that such small and reasonable variations in the computational method can be used to check how stable the calculated results are and to obtain a more accurate estimate of the uncertainty than if performing only one calculation with a single computational setup.

Decreasing the stable trapping region during geomagnetic storm

International Nuclear Information System (INIS)

Mal'tsev, Yu.P.; Feshchenko, E.Yu.

1998-01-01

Within the frameworks of the magnetic field model, depending on the solar wind pressure, the B = B s (B s is the magnetic field in the undersolar point) contour behaviour in the equatorial plane is calculated. The boundary of stable trapping in the quiet time is at the distance of 10-11 R E by day and ∼ 7 R E by night. During strong storms this distance may be decreased up 4-5 R E . The calculation results coincide satisfactorily with satellite measurements

Similarity and uncertainty analysis of the ALLEGRO MOX core

International Nuclear Information System (INIS)

Vrban, B.; Hascik, J.; Necas, V.; Slugen, V.

2015-01-01

The similarity and uncertainty analysis of the ESNII+ ALLEGRO MOX core has identified specific problems and challenges in the field of neutronic calculations. Similarity assessment identified 9 partly comparable experiments where only one reached ck and E values over 0.9. However the Global Integral Index G remains still low (0.75) and cannot be judge das sufficient. The total uncertainty of calculated k eff induced by XS data is according to our calculation 1.04%. The main contributors to this uncertainty are 239 Pu nubar and 238 U inelastic scattering. The additional margin from uncovered sensitivities was determined to be 0.28%. The identified low number of similar experiments prevents the use of advanced XS adjustment and bias estimation methods. More experimental data are needed and presented results may serve as a basic step in development of necessary critical assemblies. Although exact data are not presented in the paper, faster 44 energy group calculation gives almost the same results in similarity analysis in comparison to more complex 238 group calculation. Finally, it was demonstrated that TSUNAMI-IP utility can play a significant role in the future fast reactor development in Slovakia and in the Visegrad region. Clearly a further Research and Development and strong effort should be carried out in order to receive more complex methodology consisting of more plausible covariance data and related quantities. (authors)

Tellurium stable isotope fractionation in chondritic meteorites and some terrestrial samples

Science.gov (United States)

Fehr, Manuela A.; Hammond, Samantha J.; Parkinson, Ian J.

2018-02-01

New methodologies employing a 125Te-128Te double-spike were developed and applied to obtain high precision mass-dependent tellurium stable isotope data for chondritic meteorites and some terrestrial samples by multiple-collector inductively coupled plasma mass spectrometry. Analyses of standard solutions produce Te stable isotope data with a long-term reproducibility (2SD) of 0.064‰ for δ130/125Te. Carbonaceous and enstatite chondrites display a range in δ130/125Te of 0.9‰ (0.2‰ amu-1) in their Te stable isotope signature, whereas ordinary chondrites present larger Te stable isotope fractionation, in particular for unequilibrated ordinary chondrites, with an overall variation of 6.3‰ for δ130/125Te (1.3‰ amu-1). Tellurium stable isotope variations in ordinary chondrites display no correlation with Te contents or metamorphic grade. The large Te stable isotope fractionation in ordinary chondrites is likely caused by evaporation and condensation processes during metamorphism in the meteorite parent bodies, as has been suggested for other moderately and highly volatile elements displaying similar isotope fractionation. Alternatively, they might represent a nebular signature or could have been produced during chondrule formation. Enstatite chondrites display slightly more negative δ130/125Te compared to carbonaceous chondrites and equilibrated ordinary chondrites. Small differences in the Te stable isotope composition are also present within carbonaceous chondrites and increase in the order CV-CO-CM-CI. These Te isotope variations within carbonaceous chondrites may be due to mixing of components that have distinct Te isotope signatures reflecting Te stable isotope fractionation in the early solar system or on the parent bodies and potentially small so-far unresolvable nucleosynthetic isotope anomalies of up to 0.27‰. The Te stable isotope data of carbonaceous and enstatite chondrites displays a general correlation with the oxidation state and hence might

Pythoscape: a framework for generation of large protein similarity networks.

Science.gov (United States)

Barber, Alan E; Babbitt, Patricia C

2012-11-01

Pythoscape is a framework implemented in Python for processing large protein similarity networks for visualization in other software packages. Protein similarity networks are graphical representations of sequence, structural and other similarities among proteins for which pairwise all-by-all similarity connections have been calculated. Mapping of biological and other information to network nodes or edges enables hypothesis creation about sequence-structure-function relationships across sets of related proteins. Pythoscape provides several options to calculate pairwise similarities for input sequences or structures, applies filters to network edges and defines sets of similar nodes and their associated data as single nodes (termed representative nodes) for compression of network information and output data or formatted files for visualization.

Self-similar magnetohydrodynamic boundary layers

Energy Technology Data Exchange (ETDEWEB)

Nunez, Manuel; Lastra, Alberto, E-mail: mnjmhd@am.uva.e [Departamento de Analisis Matematico, Universidad de Valladolid, 47005 Valladolid (Spain)

2010-10-15

The boundary layer created by parallel flow in a magnetized fluid of high conductivity is considered in this paper. Under appropriate boundary conditions, self-similar solutions analogous to the ones studied by Blasius for the hydrodynamic problem may be found. It is proved that for these to be stable, the size of the Alfven velocity at the outer flow must be smaller than the flow velocity, a fact that has a ready physical explanation. The process by which the transverse velocity and the thickness of the layer grow with the size of the Alfven velocity is detailed.

Self-similar magnetohydrodynamic boundary layers

International Nuclear Information System (INIS)

Nunez, Manuel; Lastra, Alberto

2010-01-01

The boundary layer created by parallel flow in a magnetized fluid of high conductivity is considered in this paper. Under appropriate boundary conditions, self-similar solutions analogous to the ones studied by Blasius for the hydrodynamic problem may be found. It is proved that for these to be stable, the size of the Alfven velocity at the outer flow must be smaller than the flow velocity, a fact that has a ready physical explanation. The process by which the transverse velocity and the thickness of the layer grow with the size of the Alfven velocity is detailed.

Protein-based stable isotope probing.

Science.gov (United States)

Jehmlich, Nico; Schmidt, Frank; Taubert, Martin; Seifert, Jana; Bastida, Felipe; von Bergen, Martin; Richnow, Hans-Hermann; Vogt, Carsten

2010-12-01

We describe a stable isotope probing (SIP) technique that was developed to link microbe-specific metabolic function to phylogenetic information. Carbon ((13)C)- or nitrogen ((15)N)-labeled substrates (typically with >98% heavy label) were used in cultivation experiments and the heavy isotope incorporation into proteins (protein-SIP) on growth was determined. The amount of incorporation provides a measure for assimilation of a substrate, and the sequence information from peptide analysis obtained by mass spectrometry delivers phylogenetic information about the microorganisms responsible for the metabolism of the particular substrate. In this article, we provide guidelines for incubating microbial cultures with labeled substrates and a protocol for protein-SIP. The protocol guides readers through the proteomics pipeline, including protein extraction, gel-free and gel-based protein separation, the subsequent mass spectrometric analysis of peptides and the calculation of the incorporation of stable isotopes into peptides. Extraction of proteins and the mass fingerprint measurements of unlabeled and labeled fractions can be performed in 2-3 d.

Concentrations of radiocesium and stable elements in different parts of pine tree collected in Chernobyl area

International Nuclear Information System (INIS)

Yoshida, Satoshi; Watanabe, Masumi; Suzuki, Akira; Linkov, Igor; Dvornik, Alexander; Zhuchenko, Tatiana

2007-01-01

Radial distributions of 137 Cs and related stable elements in a pine tree collected in Chernobyl contaminated area in Belarus were determined, in order to get basic information for dose estimation of pine tree. The concentration of 137 Cs in annual tree rings was the highest in cambium, and decreased sharply toward inside. The highest concentration of 137 Cs in cambium suggests the highest radiation dose to growing part of wood. Distribution of stable Cs was similar as that of 137 Cs, and the 137 Cs/stable Cs ratio was almost constant, indicating the equilibrium of Chernobyl 137 Cs with stable Cs in the pine wood. The similar distributions as Cs were observed for K and Rb. (author)

Localization of Stable and Chaotic Nonpropagating Structures in Nonlinear Mesoscopic Lattices.

Science.gov (United States)

Greenfield, Alan Barry

Recent developments in the study of non-linear localized states, especially non-propagating ones, are outlined. Theoretical models of linear and nonlinear states in a lattice of coupled pendulums and related systems are reviewed. Particular attention is paid to those states which can be described by the Nonlinear Schrodinger equation as well as states where two modes can coexist and states exhibiting chaos. Measurement of localized stable and chaotic states in a 35 site physical pendulum lattice is reported. Various measurement techniques that were used are explained. States that were measured include the tanh profile or kink soliton, and the corresponding uniform state in the wavelength 2 mode, a similar soliton and uniform state in the wavelength 4 mode, a domain wall between the wavelength 2 and 4 modes and a domain wall between a chaotic state and the wavelength 2 mode. Amplitude profiles were measured for the stable kink and domain wall states and smooth curves were obtained by dividing the kink states by the corresponding uniform states. Return maps were measured for two sites in the chaotic domain wall. Simulation of a chaotic domain wall in a 50 site numerical lattice is reported. This system has the advantage that its parameters can be modified much more easily than those of the physical lattice. An attempt is made at quantifying the level of chaos as a function of lattice site with fractal dimension calculations on return maps embedded in a three dimensional space. The drive plane of the chaotic domain wall is mapped out in the drive amplitude - drive frequency plane. Transitions to various stable and quasiperiodic domain walls are noted.

Thai Language Sentence Similarity Computation Based on Syntactic Structure and Semantic Vector

Science.gov (United States)

Wang, Hongbin; Feng, Yinhan; Cheng, Liang

2018-03-01

Sentence similarity computation plays an increasingly important role in text mining, Web page retrieval, machine translation, speech recognition and question answering systems. Thai language as a kind of resources scarce language, it is not like Chinese language with HowNet and CiLin resources. So the Thai sentence similarity research faces some challenges. In order to solve this problem of the Thai language sentence similarity computation. This paper proposes a novel method to compute the similarity of Thai language sentence based on syntactic structure and semantic vector. This method firstly uses the Part-of-Speech (POS) dependency to calculate two sentences syntactic structure similarity, and then through the word vector to calculate two sentences semantic similarity. Finally, we combine the two methods to calculate two Thai language sentences similarity. The proposed method not only considers semantic, but also considers the sentence syntactic structure. The experiment result shows that this method in Thai language sentence similarity computation is feasible.

26 S proteasomes function as stable entities

DEFF Research Database (Denmark)

Hendil, Klavs B; Hartmann-Petersen, Rasmus; Tanaka, Keiji

2002-01-01

, shuttles between a free state and the 26-S proteasome, bringing substrate to the complex. However, S5a was not found in the free state in HeLa cells. Besides, all subunits in PA700, including S5a, exchanged at similar low rates. It therefore seems that 26-S proteasomes function as stable entities during...

On the joint statistics of stable random processes

International Nuclear Information System (INIS)

Hopcraft, K I; Jakeman, E

2011-01-01

A utilitarian continuous bi-variate random process whose first-order probability density function is a stable random variable is constructed. Results paralleling some of those familiar from the theory of Gaussian noise are derived. In addition to the joint-probability density for the process, these include fractional moments and structure functions. Although the correlation functions for stable processes other than Gaussian do not exist, we show that there is coherence between values adopted by the process at different times, which identifies a characteristic evolution with time. The distribution of the derivative of the process, and the joint-density function of the value of the process and its derivative measured at the same time are evaluated. These enable properties to be calculated analytically such as level crossing statistics and those related to the random telegraph wave. When the stable process is fractal, the proportion of time it spends at zero is finite and some properties of this quantity are evaluated, an optical interpretation for which is provided. (paper)

On the locally stable states of the Sherrington-Kirkpatrick model

International Nuclear Information System (INIS)

Parga, N.; Parisi, G.

1985-07-01

By using a steepest descent algorithm we calculate the attraction basin of locally stable states of the Sherrington-Kirkpatrick model of spin glasses. Looking for correlations among these states we show the existence of clusters of spins and construct a cluster Hamiltonian. (author)

Structure and stability of acrolein and allyl alcohol networks on Ag(111) from density functional theory based calculations with dispersion corrections

Science.gov (United States)

Ferullo, Ricardo M.; Branda, Maria Marta; Illas, Francesc

2013-11-01

The interaction of acrolein and allyl alcohol with the Ag(111) surface has been studied by means of periodic density functional theory based calculations including explicitly dispersion terms. Different coverage values have been explored going from isolated adsorbed molecules to isolated dimers, interacting dimers or ordered overlayers. The inclusion of the dispersion terms largely affects the calculated values of the adsorption energy and also the distance between adsorbed molecule and the metallic surface but much less the adsorbate-adsorbate interactions. Owing to the large dipole moment of acrolein, the present calculations predict that at high coverage this molecule forms a stable extensive two-dimensional network on the surface, caused by the alignment of the adsorbate dipoles. For the case of allyl alcohol, dimers and complex networks exhibit similar stability.

Nonsphericity Index and Size Ratio Identify Morphologic Differences between Growing and Stable Aneurysms in a Longitudinal Study of 93 Cases.

Science.gov (United States)

Chien, A; Xu, M; Yokota, H; Scalzo, F; Morimoto, E; Salamon, N

2018-01-25

Recent studies have strongly associated intracranial aneurysm growth with increased risk of rupture. Identifying aneurysms that are likely to grow would be beneficial to plan more effective monitoring and intervention strategies. Our hypothesis is that for unruptured intracranial aneurysms of similar size, morphologic characteristics differ between aneurysms that continue to grow and those that do not. From aneurysms in our medical center with follow-up imaging dates in 2015, ninety-three intracranial aneurysms (23 growing, 70 stable) were selected. All CTA images for the aneurysm diagnosis and follow-up were collected, a total of 348 3D imaging studies. Aneurysm 3D geometry for each imaging study was reconstructed, and morphologic characteristics, including volume, surface area, nonsphericity index, aspect ratio, and size ratio were calculated. Morphologic characteristics were found to differ between growing and stable groups. For aneurysms of 7 mm, volume ( P differ between those that are growing and those that are stable. The nonsphericity index, in particular, was found to be higher among growing aneurysms. The size ratio was found to be the second most significant parameter associated with growth. © 2018 by American Journal of Neuroradiology.

General population exposure of stable lead and 210Pb to residents of New York City

International Nuclear Information System (INIS)

Bogen, D.C.; Welford, G.A.; Morse, R.

1975-12-01

Stable lead and 210 Pb intake, ingestion, and inhalation by residents of New York City were determined. Measurement of excreta samples provided data to establish a mass balance of stable lead and 210 Pb. These results indicate that no more than 5 μg of stable lead and 0.1 pCi of 210 Pb are retained daily by residents of New York City. Analyses of bone samples have provided estimates of the skeletal burden of stable lead and 210 Pb. Using the ICRP model, intake data, and assuming 100 percent skeletal deposition, the calculated stable lead and 210 Pb values are in good agreement with the experimental results. The data indicate that inhalation is the principle source of stable lead to residents in New York City

Ranking stability and super-stable nodes in complex networks.

Science.gov (United States)

Ghoshal, Gourab; Barabási, Albert-László

2011-07-19

Pagerank, a network-based diffusion algorithm, has emerged as the leading method to rank web content, ecological species and even scientists. Despite its wide use, it remains unknown how the structure of the network on which it operates affects its performance. Here we show that for random networks the ranking provided by pagerank is sensitive to perturbations in the network topology, making it unreliable for incomplete or noisy systems. In contrast, in scale-free networks we predict analytically the emergence of super-stable nodes whose ranking is exceptionally stable to perturbations. We calculate the dependence of the number of super-stable nodes on network characteristics and demonstrate their presence in real networks, in agreement with the analytical predictions. These results not only deepen our understanding of the interplay between network topology and dynamical processes but also have implications in all areas where ranking has a role, from science to marketing.

A finite element analysis of stable crack growth in inhomogeneous materials

International Nuclear Information System (INIS)

Miyazaki, N.; Sakai, T.; Nakagaki, M.; Sasaki, T.

1993-01-01

The finite element method was applied to generation phase analyses for stable crack growth in inhomogeneous materials. Experimental data on stable crack growth in bimaterial CT specimens, which were composed of a base metal and a weld metal, were numerically simulated using the node-release technique, and the variations of the fracture mechanics parameters such as J-integral. T*-integral. J-circumflex-integral and CTOA were calculated. The effects of the fusion line and the weld on the near crack fracture mechanics parameters were discussed. (author)

A Minimum Spanning Tree Representation of Anime Similarities

OpenAIRE

Wibowo, Canggih Puspo

2016-01-01

In this work, a new way to represent Japanese animation (anime) is presented. We applied a minimum spanning tree to show the relation between anime. The distance between anime is calculated through three similarity measurements, namely crew, score histogram, and topic similarities. Finally, the centralities are also computed to reveal the most significance anime. The result shows that the minimum spanning tree can be used to determine the similarity anime. Furthermore, by using centralities c...

First-principles calculations of BC{sub 4}N nanostructures: stability and electronic structure

Energy Technology Data Exchange (ETDEWEB)

Freitas, A.; Azevedo, S. [Universidade Federal da Paraiba, CCEN, Departamento de Fisica, Joao Pessoa, PB (Brazil); Machado, M. [Universidade Federal de Pelotas, Departamento de Fisica, Pelotas, RS (Brazil); Kaschny, J.R. [Instituto Federal da Bahia-Campus Vitoria da Conquista, Vitoria da Conquista, BA (Brazil)

2012-07-15

In this work, we apply first-principles methods to investigate the stability and electronic structure of BC{sub 4}N nanostructures which were constructed from hexagonal graphite layers where substitutional nitrogen and boron atoms are placed at specific sites. These layers were rolled up to form zigzag and armchair nanotubes, with diameters varying from 7 to 12 A, or cut and bent to form nanocones, with 60 and 120 disclination angles. The calculation results indicate that the most stable structures are the ones which maximize the number of B-N and C-C bonds. It is found that the zigzag nanotubes are more stable than the armchair ones, where the strain energy decreases with increasing tube diameter D, following a 1/D {sup 2} law. The results show that the 60 disclination nanocones are the most stable ones. Additionally, the calculated electronic properties indicate a semiconducting behavior for all calculated structures, which is intermediate to the typical behaviors found for hexagonal boron nitride and graphene. (orig.)

Acceleration methods for assembly-level transport calculations

International Nuclear Information System (INIS)

Adams, Marvin L.; Ramone, Gilles

1995-01-01

A family acceleration methods for the iterations that arise in assembly-level transport calculations is presented. A single iteration in these schemes consists of a transport sweep followed by a low-order calculation which is itself a simplified transport problem. It is shown that a previously-proposed method fitting this description is unstable in two and three dimensions. It is presented a family of methods and shown that some members are unconditionally stable. (author). 8 refs, 4 figs, 4 tabs

Polyamorphism in tetrahedral substances: Similarities between silicon and ice

Science.gov (United States)

Garcez, K. M. S.; Antonelli, A.

2015-07-01

Tetrahedral substances, such as silicon, water, germanium, and silica, share various unusual phase behaviors. Among them, the so-called polyamorphism, i.e., the existence of more than one amorphous form, has been intensively investigated in the last three decades. In this work, we study the metastable relations between amorphous states of silicon in a wide range of pressures, using Monte Carlo simulations. Our results indicate that the two amorphous forms of silicon at high pressures, the high density amorphous (HDA) and the very high density amorphous (VHDA), can be decompressed from high pressure (˜20 GPa) down to the tensile regime, where both convert into the same low density amorphous. Such behavior is also observed in ice. While at high pressure (˜20 GPa), HDA is less stable than VHDA, at the pressure of 10 GPa both forms exhibit similar stability. On the other hand, at much lower pressure (˜5 GPa), HDA and VHDA are no longer the most stable forms, and, upon isobaric annealing, an even less dense form of amorphous silicon emerges, the expanded high density amorphous, again in close similarity to what occurs in ice.

Log-stable concentration distributions of trace elements in biomedical samples

International Nuclear Information System (INIS)

Kubala-Kukus, A.; Kuternoga, E.; Braziewicz, J.; Pajek, M.

2004-01-01

In the present paper, which follows our earlier observation that the asymmetric and long-tailed concentration distributions of trace elements in biomedical samples, measured by the X-ray fluorescence techniques, can be modeled by the log-stable distributions, further specific aspects of this observation are discussed. First, we demonstrate that, typically, for a quite substantial fraction (10-20%) of trace elements studied in different kinds of biomedical samples, the measured concentration distributions are described in fact by the 'symmetric' log-stable distributions, i.e. the asymmetric distributions which are described by the symmetric stable distributions. This observation is, in fact, expected for the random multiplicative process, which models the concentration distributions of trace elements in the biomedical samples. The log-stable nature of concentration distribution of trace elements results in several problems of statistical nature, which have to be addressed in XRF data analysis practice. Consequently, in the present paper, the following problems, namely (i) the estimation of parameters for stable distributions and (ii) the testing of the log-stable nature of the concentration distribution by using the Anderson-Darling (A 2 ) test, especially for symmetric stable distributions, are discussed in detail. In particular, the maximum likelihood estimation and Monte Carlo simulation techniques were used, respectively, for estimation of stable distribution parameters and calculation of the critical values for the Anderson-Darling test. The discussed ideas are exemplified by the results of the study of trace element concentration distributions in selected biomedical samples, which were obtained by using the X-ray fluorescence (XRF, TXRF) methods

Bandgap calculations and trends of organometal halide perovskites

DEFF Research Database (Denmark)

Castelli, Ivano Eligio; García Lastra, Juan Maria; Thygesen, Kristian Sommer

2014-01-01

Energy production from the Sun requires a stable efficient light absorber. Promising candidates in this respect are organometal perovskites (ABX3), which have been intensely investigated during the last years. Here, we have performed electronic structure calculations of 240 perovskites composed...

Conditions for maximum isolation of stable condensate during separation in gas-condensate systems

Energy Technology Data Exchange (ETDEWEB)

Trivus, N.A.; Belkina, N.A.

1969-02-01

A thermodynamic analysis is made of the gas-liquid separation process in order to determine the relationship between conditions of maximum stable condensate separation and physico-chemical nature and composition of condensate. The analysis was made by considering the multicomponent gas-condensate fluid produced from Zyrya field as a ternary system, composed of methane, an intermediate component (propane and butane) and a heavy residue, C/sub 6+/. Composition of 5 ternary systems was calculated for a wide variation in separator conditions. At each separator pressure there is maximum condensate production at a certain temperature. This occurs because solubility of condensate components changes with temperature. Results of all calculations are shown graphically. The graphs show conditions of maximum stable condensate separation.

A chemically stable analogue, 9 beta-methyl carbacyclin, with similar effects to epoprostenol (prostacyclin, PGI2) in man.

OpenAIRE

O'Grady, J; Hedges, A; Whittle, B J; Al-Sinawi, L A; Mekki, Q A; Burke, C; Moody, S G; Moti, M J; Hassan, S

1984-01-01

The effects of 9 beta-methyl carbacyclin, a chemically stable analogue of epoprostenol (prostacyclin, PGI2) were studied, in comparison with epoprostenol, both in vitro and in vivo in man. In vitro 9 beta-methyl carbacyclin and epoprostenol inhibited platelet aggregation induced by ADP, collagen, the endoperoxide analogue U46619 and arachidonic acid. The potency of 9 beta-methyl carbacyclin relative to epoprostenol was comparable in ADP and collagen-aggregated platelet rich plasma (PRP), 9 be...

Studies of Stable Octupole Deformations in the Radium Region

CERN Multimedia

2002-01-01

The purpose of the present project is to locate and identify states in the atomic nuclei possessing stable pearshaped octupole deformation. Such states, formally related to the structures known in molecular physics, manifest themselves as families of parity doublets in odd nuclei.\\\\ \\\\ The best possibilities for observing stable octupole deformations are offered in the Ra-region. Both theoretical calculations and experimental indications support such expectations. Such indications are the non-observation of two-phonon octupole vibrational states in the ISOLDE studies of the even-even radium nuclei, and the reversed sign of the decoupling factor of the ground state band in |2|2|5Ra observed in the single-neutron transfer reactions. In order to establish the predicted strong E1 and E3-transitions between the parity doublets in odd nuclei with stable octupole deformations it is proposed to study conversion electrons in odd-mass francium radium and radon isotopes following the @b-decay of francium and astatine. \\...

Melting point of high-purity germanium stable isotopes

Science.gov (United States)

Gavva, V. A.; Bulanov, A. D.; Kut'in, A. M.; Plekhovich, A. D.; Churbanov, M. F.

2018-05-01

The melting point (Tm) of germanium stable isotopes 72Ge, 73Ge, 74Ge, 76Ge was determined by differential scanning calorimetry. With the increase in atomic mass of isotope the decrease in Tm is observed. The decrease was equal to 0.15 °C per the unit of atomic mass which qualitatively agrees with the value calculated by Lindemann formula accounting for the effect of "isotopic compression" of elementary cell.

Phase diagrams from ab-initio calculations: Re-W and Fe-B

Energy Technology Data Exchange (ETDEWEB)

Hammerschmidt, Thomas; Bialon, Arthur; Palumbo, Mauro; Fries, Suzana G.; Drautz, Ralf [ICAMS, Ruhr-Universitaet Bochum (Germany)

2011-07-01

The CALPHAD (CaLculation of Phase Diagrams) method relies on Gibbs energy databases and is of limited predictive power in cases where only limited experimental data is available for constructing the Gibbs energy databases. This is problematic for, e.g., the calculation of the phase transformation kinetics within phase field simulations that not only require the thermodynamic equilibrium data but also information on metastable phases. Such information is difficult to obtain directly from experiment but ab-initio calculations may supplement experimental databases as they comprise metastable phases and arbitrary chemical compositions. We present simulations for two prototypical systems: Re-W and Fe-B. For both systems we calculate the heat of formation for an extensive set of structures using ab-initio calculations and employ the total energies in CALPHAD in order to determine the corresponding phase diagrams. We account for the configurational entropy within the Bragg-Williams approximation and neglect the phenomenological excess-term that is commonly used in CALPHAD as well as the contribution of phonons and electronic excitations to the free energy. According to our calculations the complex intermetallic phases in Re-W are stabilized by the configurational entropy. For Fe-B, we calculate metastable and stable phase diagrams including recently predicted new stable phases.

Stable isotopes

International Nuclear Information System (INIS)

Evans, D.K.

1986-01-01

Seventy-five percent of the world's stable isotope supply comes from one producer, Oak Ridge Nuclear Laboratory (ORNL) in the US. Canadian concern is that foreign needs will be met only after domestic needs, thus creating a shortage of stable isotopes in Canada. This article describes the present situation in Canada (availability and cost) of stable isotopes, the isotope enrichment techniques, and related research programs at Chalk River Nuclear Laboratories (CRNL)

Ab initio calculations of non-stoichiometric copper nitride, pure and with palladium

International Nuclear Information System (INIS)

Moreno-Armenta, Maria G.; Soto, Gerardo; Takeuchi, Noboru

2011-01-01

Research highlights: → The most stable arrangement corresponds to the Cu 3 N-anti ReO 3 structure. → Formation energy of Cu 32 Vac 0 N 8 and Cu 24 Pd 8 Vac 0 N 8 are very similar. → The biggest volume in the compound is Cu 31 Pd 1 Vac 0 N 8/ . → Small amount introduction of extra metal atoms in copper nitride is possible. - Abstract: We present first principles calculations of copper nitride by using periodic density functional theory within a plane-wave ultrasoft pseudopotential scheme. The insertions of extra Cu and/or Pd atoms in the empty sites, vacancy reorganization, and substitution of Cu by Pd atoms were studied. We have used an equivalent reduced-symmetry 2 x 2 x 2 Cu 3 N-like cubic super-cell. Small Cu and/or Pd concentrations and vacancy rearrangements in the copper sub-lattice were conveniently calculated in these low-symmetry cells. We cover probable situations like: the occupation of the initially empty copper sites by (1) copper atoms, and by (2) palladium; (3) the relocation of vacancies in the copper sub-lattice; and (4) the substitution of small quantities of copper by palladium atoms in the copper sub-lattice. The equilibrium volumes and energies after relaxing the atomic positions are compared to those of intrinsic copper nitride. We found that the most stable arrangement corresponds to the ideal stoichiometric Cu 3 N. We also found that any deviation from this ideal configuration shift the semiconductor state to a metallic or semi-metallic one.

Dynamics and control of twisting bi-stable structures

Science.gov (United States)

Arrieta, Andres F.; van Gemmeren, Valentin; Anderson, Aaron J.; Weaver, Paul M.

2018-02-01

Compliance-based morphing structures have the potential to offer large shape adaptation, high stiffness and low weight, while reducing complexity, friction, and scalability problems of mechanism based systems. A promising class of structure that enables these characteristics are multi-stable structures given their ability to exhibit large deflections and rotations without the expensive need for continuous actuation, with the latter only required intermittently. Furthermore, multi-stable structures exhibit inherently fast response due to the snap-through instability governing changes between stable states, enabling rapid configuration switching between the discrete number of programmed shapes of the structure. In this paper, the design and utilisation of the inherent nonlinear dynamics of bi-stable twisting I-beam structures for actuation with low strain piezoelectric materials is presented. The I-beam structure consists of three compliant components assembled into a monolithic single element, free of moving parts, and showing large deflections between two stable states. Finite element analysis is utilised to uncover the distribution of strain across the width of the flange, guiding the choice of positioning for piezoelectric actuators. In addition, the actuation authority is maximised by calculating the generalised coupling coefficient for different positions of the piezoelectric actuators. The results obtained are employed to tailor and test I-beam designs exhibiting desired large deflection between stable states, while still enabling the activation of snap-through with the low strain piezoelectric actuators. To this end, the dynamic response of the I-beams to piezoelectric excitation is investigated, revealing that resonant excitations are insufficient to dynamically trigger snap-through. A novel bang-bang control strategy, which exploits the nonlinear dynamics of the structure successfully triggers both single and constant snap-through between the stable states

Simpson's paradox and calculation of number needed to treat from meta-analysis

Directory of Open Access Journals (Sweden)

Cates Christopher J

2002-01-01

Full Text Available Abstract Background Calculation of numbers needed to treat (NNT is more complex from meta-analysis than from single trials. Treating the data as if it all came from one trial may lead to misleading results when the trial arms are imbalanced. Discussion An example is shown from a published Cochrane review in which the benefit of nursing intervention for smoking cessation is shown by formal meta-analysis of the individual trial results. However if these patients were added together as if they all came from one trial the direction of the effect appears to be reversed (due to Simpson's paradox. Whilst NNT from meta-analysis can be calculated from pooled Risk Differences, this is unlikely to be a stable method unless the event rates in the control groups are very similar. Since in practice event rates vary considerably, the use a relative measure, such as Odds Ratio or Relative Risk is advocated. These can be applied to different levels of baseline risk to generate a risk specific NNT for the treatment. Summary The method used to calculate NNT from meta-analysis should be clearly stated, and adding the patients from separate trials as if they all came from one trial should be avoided.

Music Retrieval based on Melodic Similarity

NARCIS (Netherlands)

Typke, R.

2007-01-01

This thesis introduces a method for measuring melodic similarity for notated music such as MIDI files. This music search algorithm views music as sets of notes that are represented as weighted points in the two-dimensional space of time and pitch. Two point sets can be compared by calculating how

Random walk-based similarity measure method for patterns in complex object

Directory of Open Access Journals (Sweden)

Liu Shihu

2017-04-01

Full Text Available This paper discusses the similarity of the patterns in complex objects. The complex object is composed both of the attribute information of patterns and the relational information between patterns. Bearing in mind the specificity of complex object, a random walk-based similarity measurement method for patterns is constructed. In this method, the reachability of any two patterns with respect to the relational information is fully studied, and in the case of similarity of patterns with respect to the relational information can be calculated. On this bases, an integrated similarity measurement method is proposed, and algorithms 1 and 2 show the performed calculation procedure. One can find that this method makes full use of the attribute information and relational information. Finally, a synthetic example shows that our proposed similarity measurement method is validated.

Application of the principle of similarity fluid mechanics

International Nuclear Information System (INIS)

Hendricks, R.C.; Sengers, J.V.

1979-01-01

Possible applications of the principle of similarity to fluid mechanics is described and illustrated. In correlating thermophysical properties of fluids, the similarity principle transcends the traditional corresponding states principle. In fluid mechanics the similarity principle is useful in correlating flow processes that can be modeled adequately with one independent variable (i.e., one-dimensional flows). In this paper we explore the concept of transforming the conservation equations by combining similarity principles for thermophysical properties with those for fluid flow. We illustrate the usefulness of the procedure by applying such a transformation to calculate two phase critical mass flow through a nozzle

Stable Isotope Data

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Tissue samples (skin, bone, blood, muscle) are analyzed for stable carbon, stable nitrogen, and stable sulfur analysis. Many samples are used in their entirety for...

(MnH9)2- salts with high hydrogen contents and unusual bonding: Density functional calculations

Science.gov (United States)

Gupta, Michèle; Gupta, Raju P.; Singh, D. J.

2009-12-01

The compounds BaReH9 and K2ReH9 are the prototypical members of a family of hydrides described as salts of (ReH9)2- anions. The structures reflect highly unusual chemistry with short H-H distances and at the same time very high ninefold coordination of Re by hydrogen atoms. This is of interest because of the resulting high hydrogen-to-metal ratios, 4.5 in BaReH9 and 3 in K2ReH9 . Here we use density functional calculations to investigate possible new members of this family including both Re and Mn compounds. We find that although SrReH9 and CaReH9 have not been synthesized these are very likely to be stable compounds that may be prepared in a similar manner as the Ba analog. We also find that the manganese counterparts, including K2MnH9 , are also likely to be stable and have thermodynamic properties consistent with requirements for hydrogen storage.

Efficient Algorithm for Computing Link-based Similarity in Real World Networks

DEFF Research Database (Denmark)

Cai, Yuanzhe; Cong, Gao; Xu, Jia

2009-01-01

Similarity calculation has many applications, such as information retrieval, and collaborative filtering, among many others. It has been shown that link-based similarity measure, such as SimRank, is very effective in characterizing the object similarities in networks, such as the Web, by exploiti...

Uptake and distribution of 137Cs, stable Cs and K in rice plants

International Nuclear Information System (INIS)

Tsukada, Hirofumi; Hasegawa, Hidenao

2003-01-01

The uptake and distributions of 137 Cs, stable Cs and K were determined for rice plant components, including polished rice, rice bran, hulls, leaves, stems, and roots. The distribution of 137 Cs in polished rice and rice bran was similar to that of stable Cs, while that of K was different. The concentration ratios of Cs/K in leaves increased in older leaf blade positions, which meant that the translocation rate of stable Cs, was slower than that of K. At harvest the dry weight of polished rice accounted for 34% of the entire rice plant, while the distributions of stable Cs in the polished rice and the non-edible parts were 7 and 93%, respectively. These findings suggest that the transfer and distribution of stable Cs in rice plants are different from those of K, and the behavior of stable Cs provides a useful analogue in predicting the fate of 137 Cs in an agricultural environment. (author)

Perception of similarity: a model for social network dynamics

International Nuclear Information System (INIS)

Javarone, Marco Alberto; Armano, Giuliano

2013-01-01

Some properties of social networks (e.g., the mixing patterns and the community structure) appear deeply influenced by the individual perception of people. In this work we map behaviors by considering similarity and popularity of people, also assuming that each person has his/her proper perception and interpretation of similarity. Although investigated in different ways (depending on the specific scientific framework), from a computational perspective similarity is typically calculated as a distance measure. In accordance with this view, to represent social network dynamics we developed an agent-based model on top of a hyperbolic space on which individual distance measures are calculated. Simulations, performed in accordance with the proposed model, generate small-world networks that exhibit a community structure. We deem this model to be valuable for analyzing the relevant properties of real social networks. (paper)

Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2 H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy and quantum chemical calculations

Science.gov (United States)

Gómez-Zavaglia, Andrea; Kaczor, Agnieszka; Coelho, Daniela; Cristiano, M. Lurdes S.; Fausto, Rui

2009-02-01

2-Allyl-1,2-benzisothiazol-3(2 H)-one 1,1-dioxide (ABIOD) has been studied by matrix-isolation infrared spectroscopy and quantum chemical calculations. A conformational search on the B3LYP/6 -311++G(3df,3pd) potential energy surface of the molecule demonstrated the existence of three conformers, Sk, Sk' and C, with similar energies, differing in the orientation of the allyl group. The calculations predicted the Sk form as the most stable in the gaseous phase, whereas the Sk' and C conformers have calculated relative energies of ca. 0.6 and 0.8-3.0 kJ mol -1, respectively (depending on the level of theory). In agreement with the relatively large (>6 kJ mol -1) calculated barriers for conformational interconversion, the three conformers could be efficiently trapped in an argon matrix at 10 K, the experimental infrared spectrum of the as-deposited matrix fitting well the simulated spectrum built from the calculated spectra for individual conformers scaled by their predicted populations at the temperature of the vapour of the compound prior to matrix deposition. Upon annealing the matrix at 24 K, however, both Sk and Sk' conformers were found to convert to the more polar C conformer, indicating that this latter form becomes the most stable ABIOD conformer in the argon matrix.

Self-similar optical pulses in competing cubic-quintic nonlinear media with distributed coefficients

International Nuclear Information System (INIS)

Zhang Jiefang; Tian Qing; Wang Yueyue; Dai Chaoqing; Wu Lei

2010-01-01

We present a systematic analysis of the self-similar propagation of optical pulses within the framework of the generalized cubic-quintic nonlinear Schroedinger equation with distributed coefficients. By appropriately choosing the relations between the distributed coefficients, we not only retrieve the exact self-similar solitonic solutions, but also find both the approximate self-similar Gaussian-Hermite solutions and compact solutions. Our analytical and numerical considerations reveal that proper choices of the distributed coefficients could make the unstable solitons stable and could restrict the nonlinear interaction between the neighboring solitons.

Calculational methods for lattice cells

International Nuclear Information System (INIS)

Askew, J.R.

1980-01-01

At the current stage of development, direct simulation of all the processes involved in the reactor to the degree of accuracy required is not an economic proposition, and this is achieved by progressive synthesis of models for parts of the full space/angle/energy neutron behaviour. The split between reactor and lattice calculations is one such simplification. Most reactors are constructed of repetitions of similar geometric units, the fuel elements, having broadly similar properties. Thus the provision of detailed predictions of their behaviour is an important step towards overall modelling. We shall be dealing with these lattice methods in this series of lectures, but will refer back from time to time to their relationship with overall reactor calculation The lattice cell is itself composed of somewhat similar sub-units, the fuel pins, and will itself often rely upon a further break down of modelling. Construction of a good model depends upon the identification, on physical and mathematical grounds, of the most helpful division of the calculation at this level

Calculativeness and trust

DEFF Research Database (Denmark)

Frederiksen, Morten

2014-01-01

Williamson’s characterisation of calculativeness as inimical to trust contradicts most sociological trust research. However, a similar argument is found within trust phenomenology. This paper re-investigates Williamson’s argument from the perspective of Løgstrup’s phenomenological theory of trust....... Contrary to Williamson, however, Løgstrup’s contention is that trust, not calculativeness, is the default attitude and only when suspicion is awoken does trust falter. The paper argues that while Williamson’s distinction between calculativeness and trust is supported by phenomenology, the analysis needs...... to take actual subjective experience into consideration. It points out that, first, Løgstrup places trust alongside calculativeness as a different mode of engaging in social interaction, rather conceiving of trust as a state or the outcome of a decision-making process. Secondly, the analysis must take...

Stable isotope deltas: Tiny, yet robust signatures in nature

Science.gov (United States)

Brand, Willi A.; Coplen, Tyler B.

2012-01-01

Although most of them are relatively small, stable isotope deltas of naturally occurring substances are robust and enable workers in anthropology, atmospheric sciences, biology, chemistry, environmental sciences, food and drug authentication, forensic science, geochemistry, geology, oceanography, and paleoclimatology to study a variety of topics. Two fundamental processes explain the stable isotope deltas measured in most terrestrial systems: isotopic fractionation and isotope mixing. Isotopic fractionation is the result of equilibrium or kinetic physicochemical processes that fractionate isotopes because of small differences in physical or chemical properties of molecular species having different isotopes. It is shown that the mixing of radioactive and stable isotope end members can be modelled to provide information on many natural processes, including 14C abundances in the modern atmosphere and the stable hydrogen and oxygen isotopic compositions of the oceans during glacial and interglacial times. The calculation of mixing fractions using isotope balance equations with isotope deltas can be substantially in error when substances with high concentrations of heavy isotopes (e.g. 13C, 2H, and 18O ) are mixed. In such cases, calculations using mole fractions are preferred as they produce accurate mixing fractions. Isotope deltas are dimensionless quantities. In the International System of Units (SI), these quantities have the unit 1 and the usual list of prefixes is not applicable. To overcome traditional limitations with expressing orders of magnitude differences in isotope deltas, we propose the term urey (symbol Ur), after Harold C. Urey, for the unit 1. In such a manner, an isotope delta value expressed traditionally as−25 per mil can be written as−25 mUr (or−2.5 cUr or−0.25 dUr; the use of any SI prefix is possible). Likewise, very small isotopic differences often expressed in per meg ‘units’ are easily included (e.g. either+0.015 ‰ or+15 per meg

Novel (MnH9)2- salts with high hydrogen contents and unusual bonding: density functional calculations

Energy Technology Data Exchange (ETDEWEB)

Gupta, Michele [Universite Paris Sud, Orsay, France; Gupta, Raju [CEA, Saclay, France; Singh, David J [ORNL

2009-01-01

The compounds BaReH{sub 9} and K{sub 2}ReH{sub 9} are the prototypical members of a family of hydrides described as salts of (ReH{sub 9}){sup 2-} anions. The structures reflect highly unusual chemistry with short H-H distances and at the same time very high ninefold coordination of Re by hydrogen atoms. This is of interest because of the resulting high hydrogen-to-metal ratios, 4.5 in BaReH{sub 9} and 3 in K{sub 2}ReH{sub 9}. Here we use density functional calculations to investigate possible new members of this family including both Re and Mn compounds. We find that although SrReH{sub 9} and CaReH{sub 9} have not been synthesized these are very likely to be stable compounds that may be prepared in a similar manner as the Ba analog. We also find that the manganese counterparts, including K{sub 2}MnH{sub 9}, are also likely to be stable and have thermodynamic properties consistent with requirements for hydrogen storage.

Semantic similarity between ontologies at different scales

Energy Technology Data Exchange (ETDEWEB)

Zhang, Qingpeng; Haglin, David J.

2016-04-01

In the past decade, existing and new knowledge and datasets has been encoded in different ontologies for semantic web and biomedical research. The size of ontologies is often very large in terms of number of concepts and relationships, which makes the analysis of ontologies and the represented knowledge graph computational and time consuming. As the ontologies of various semantic web and biomedical applications usually show explicit hierarchical structures, it is interesting to explore the trade-offs between ontological scales and preservation/precision of results when we analyze ontologies. This paper presents the first effort of examining the capability of this idea via studying the relationship between scaling biomedical ontologies at different levels and the semantic similarity values. We evaluate the semantic similarity between three Gene Ontology slims (Plant, Yeast, and Candida, among which the latter two belong to the same kingdom—Fungi) using four popular measures commonly applied to biomedical ontologies (Resnik, Lin, Jiang-Conrath, and SimRel). The results of this study demonstrate that with proper selection of scaling levels and similarity measures, we can significantly reduce the size of ontologies without losing substantial detail. In particular, the performance of Jiang-Conrath and Lin are more reliable and stable than that of the other two in this experiment, as proven by (a) consistently showing that Yeast and Candida are more similar (as compared to Plant) at different scales, and (b) small deviations of the similarity values after excluding a majority of nodes from several lower scales. This study provides a deeper understanding of the application of semantic similarity to biomedical ontologies, and shed light on how to choose appropriate semantic similarity measures for biomedical engineering.

Stable isotope composition of human fingernails from Slovakia

International Nuclear Information System (INIS)

Grolmusová, Zuzana; Rapčanová, Anna; Michalko, Juraj; Čech, Peter; Veis, Pavel

2014-01-01

Stable isotope composition of human fingernails has proven to be useful for documenting human dietary information and geographical patterns in archeological, forensic, anthropological and biological studies. Therefore, it is of interest to detect all factors influencing the stable isotopic composition in the certain regions in the world. Carbon and nitrogen isotope data of human fingernail keratin from 52 individuals from Slovakia were reported in this study. The online combustion and continuous flow isotope-ratio mass spectrometer Delta V Advantage was used for δ 13 C and δ 15 N analysis of fingernail keratin samples from 24 vegetarian and 28 omnivorous individuals. A group of people with frequent meat consumption showed enrichment in 13 C and 15 N isotopes in fingernails. A similar trend was observed with increasing seafood in an individual's diet. Moreover a significant difference was revealed between smokers and nonsmokers for both δ 13 C and δ 15 N values. These data were compared to previously published δ 13 C and δ 15 N fingernail values from across the globe. This study brings new information on the stable isotope signature of individuals from Slovakia and characterizes the Central European region for the first time. The stable isotope composition of fingernails is influenced by the frequency of meat and seafood consumption as well as smoking. - Highlights: • This study deals with stable isotope analyses of fingernails from Slovak volunteers. • δ 13 C and δ 15 N values of vegetarian and omnivore fingernails were compared. • Influence of sex, diet and smoking was studied

COVE 2A Benchmarking calculations using NORIA

International Nuclear Information System (INIS)

Carrigan, C.R.; Bixler, N.E.; Hopkins, P.L.; Eaton, R.R.

1991-10-01

Six steady-state and six transient benchmarking calculations have been performed, using the finite element code NORIA, to simulate one-dimensional infiltration into Yucca Mountain. These calculations were made to support the code verification (COVE 2A) activity for the Yucca Mountain Site Characterization Project. COVE 2A evaluates the usefulness of numerical codes for analyzing the hydrology of the potential Yucca Mountain site. Numerical solutions for all cases were found to be stable. As expected, the difficulties and computer-time requirements associated with obtaining solutions increased with infiltration rate. 10 refs., 128 figs., 5 tabs

Biodosimetry for medical diagnostic X-ray workers using stable chromosome aberration

International Nuclear Information System (INIS)

Wang Zhiquan; Liu Xuping; Li Jin

1996-01-01

The stable chromosome aberrations of medical diagnostic X-ray workers were analyzed using G-banding and their accumulative doses were evaluated. The results showed that the frequencies of reciprocal translocation, stable aberration and total aberration among the 4417 metaphase spread from 44 cases of medical diagnostic X-ray workers were distinctly higher than control values (P<0.05∼0.005). The stable aberration predominated strikingly in total aberration and reciprocal translocation was 57% in the stable aberrations. The medical diagnostic X-ray workers were divided into 3 groups according to calendar year of entry. The data showed that the frequencies of total aberration, stable aberration and reciprocal translocation increased with working years, especially in two groups who started working before 1970, there are statistically significant differences between the calendar year of entry before 1960 and 1960∼1969 in X-ray workers and control group. According to the equation recommended by Straume, linear coefficient (α) in linear quadratic model recommended by Schmid and the transformation coefficient by Lucas, the accumulative doses calculated are 0.58, 0.37 and 0.07 Gy for calendar year of entry before 1960, 1960∼1969 and after 1970 in X-ray workers, respectively

Transition metal atoms absorbed on MoS2/h-BN heterostructure: stable geometries, band structures and magnetic properties.

Science.gov (United States)

Wu, Yanbing; Huang, Zongyu; Liu, Huating; He, Chaoyu; Xue, Lin; Qi, Xiang; Zhong, Jianxin

2018-06-15

We have studied the stable geometries, band structures and magnetic properties of transition-metal (V, Cr, Mn, Fe, Co and Ni) atoms absorbed on MoS2/h-BN heterostructure systems by first-principles calculations. By comparing the adsorption energies, we find that the adsorbed transition metal (TM) atoms prefer to stay on the top of Mo atoms. The results of the band structure without spin-orbit coupling (SOC) interaction indicate that the Cr-absorbed systems behave in a similar manner to metals, and the Co-absorbed system exhibits a half-metallic state. We also deduce that the V-, Mn-, Fe-absorbed systems are semiconductors with 100% spin polarization at the HOMO level. The Ni-absorbed system is a nonmagnetic semiconductor. In contrast, the Co-absorbed system exhibits metallic state, and the bandgap of V-absorbed system decreases slightly according to the SOC calculations. In addition, the magnetic moments of all the six TM atoms absorbed on the MoS2/h-BN heterostructure systems decrease when compared with those of their free-standing states.

Exact solutions, energy, and charge of stable Q-balls

Energy Technology Data Exchange (ETDEWEB)

Bazeia, D.; Marques, M.A. [Universidade Federal da Paraiba, Departamento de Fisica, Joao Pessoa, PB (Brazil); Menezes, R. [Universidade Federal da Paraiba, Departamento de Ciencias Exatas, Rio Tinto, PB (Brazil); Universidade Federal de Campina Grande, Departamento de Fisica, Campina Grande, PB (Brazil)

2016-05-15

In this work we deal with nontopological solutions of the Q-ball type in two spacetime dimensions. We study models of current interest, described by a Higgs-like and other, similar potentials which unveil the presence of exact solutions. We use the analytic results to investigate how to control the energy and charge to make the Q-balls stable. (orig.)

Determination of diffusion coefficients of oxygen atoms in ZrO2 using first-principles calculations

International Nuclear Information System (INIS)

Segi, Takashi; Okuda, Takanari

2014-01-01

Density functional theory and nudged elastic band calculations were performed in order to determine the diffusion coefficient for oxygen from monoclinic ZrO 2 . The calculated values for monoclinic ZrO 2 at 1000 K and 1500 K were 5.88 × 10 -16 cm 2 s -1 and 2.91 × 10 -11 cm 2 s -1 , respectively, and agreed with previously determined experimental values. In addition, the results of the nudged elastic band calculations suggest that interstitial oxygen sites exist between stable oxygen sites, and if oxygen atoms occupy these sites, stable structures with values for the lattice angle β of greater than 80.53° may be obtained. (author)

Assessment of Bacterial Degradation of Aromatic Hydrocarbons in the Environment by Analysis of Stable Carbon Isotope Fractionation

International Nuclear Information System (INIS)

Meckenstock, Rainer U.; Morasch, Barbara; Kaestner, Matthias; Vieth, Andrea; Richnow, Hans Hermann

2002-01-01

13 C/ 12 C stable carbon isotope fractionation was used to assess biodegradation in contaminated aquifers with toluene as a model compound. Different strains of anaerobic bacteria (Thauera aromatica, Geobacter metallireducens, and the sulfate-reducing strain TRM1) showed consistent 13 C/ 12 C carbon isotope fractionation with fractionation factors between αC = 1.0017 and 1.0018. In contrast, three cultures of aerobic organisms, using different mono- and dioxygenase enzyme systems to initiate toluene degradation, showed variable isotope fractionation factors of αC = 1.0027 (Pseudomonasputida strain mt-2), αC = 1.0011 (Ralstonia picketii), andαC = 1.0004 (Pseudomonas putida strain F1). The great variability of isotope fractionation between different aerobic bacterial strains suggests that interpretation of isotope data in oxic habitats can only be qualitative. A soil column was run as a model system for contaminated aquifers with toluene as the carbon source and sulfate as the electron acceptor and samples were taken at different ports along the column. Microbial toluene degradation was calculated based on the 13 C/ 12 C isotope fractionation factors of the batch culture experiments together with the observed 13 C/ 12 C isotope shifts of the residual toluene fractions. The calculated percentage of biodegradation, B, correlated well with the decreasing toluene concentrations at the sampling ports and indicated the increasing extent of biodegradation along the column. The theoretical toluene concentrations as calculated based on the isotope values matched the measured concentrations at the different sampling ports indicating that the Rayleigh equation can be used to calculate biodegradation in quasi closed systems based on measured isotope shifts. A similar attempt was performed to assess toluene degradation in a contaminated, anoxic aquifer. A transect of groundwater wells was monitored along the main direction of the groundwater flow and revealed decreasing

Spherical anharmonic oscillator in self-similar approximation

International Nuclear Information System (INIS)

Yukalova, E.P.; Yukalov, V.I.

1992-01-01

The method of self-similar approximation is applied here for calculating the eigenvalues of the three-dimensional spherical anharmonic oscillator. The advantage of this method is in its simplicity and high accuracy. The comparison with other known analytical methods proves that this method is more simple and accurate. 25 refs

Receptum Liability of Skippers, Innkeepers and Stable Keepers in Roman Law

Directory of Open Access Journals (Sweden)

Mehmet YEŞİLLER

2013-06-01

Full Text Available Our study discusses the regulations regarding the liabilities of skippers, innkeepers and stable keepers in Roman Law. It is clear from the resources that "actio de damno aut furto adversus nautas, caupones, stabularios and receptum, nautae, cauponis, stabularii" responsibilities used to be regulated in addition to custodia liability arising from the hire of work between the parties, particularly because personnels of skippers, innkeepers and stable keepers were unreliable. These practices, which were implemented with Praetor Edictum and relied on practices of similar quasi torts, widely applied to areas which were not protected by the hire of work in Rome.

NEBIVOLOL IN TREATMENT OF STABLE EXERTIONAL ANGINA PECTORIS

Directory of Open Access Journals (Sweden)

Y. V. Gavrilov

2015-12-01

Full Text Available Aim. To evaluate antianginal and antiischemic efficiency of nebivolol in patients with stable angina pectoris.Material and methods. 100 patients with ischemic heart disease showing stable exertional angina pectoris and having no contraindications to beta-blockers were studied. After 5-7 days of control period 50 randomly selected patients began to take nebivolol in initial dose of 5mg once daily and 50 patients started to take metoprolol in initial dose of 50 mg twice daily. Duration of treatment was 8 weeks. Efficiency of treatment was assessed according to the results of control treadmill assessment and control daily ECG monitoring.Results. 56-day therapy with nebivolol at a dose of 7,5 mg per day results in increase in duration of treadmill test before angina or ST depression (p<0.05. Antianginal and antiischemic effect of nebivolol 7.5 mg once daily is rather similar with that of metoprolol in average daily dose of 175 mg. Nebivolol compared to metoprolol significantly (p<0.05 more effectively reduces the number of silent myocardial ischemia.Conclusion. Nebivolol is an efficient antianginal and antiischemic drug for patients with stable exertional angina pectoris.

Static and dynamic polarizabilities of Na- within a variationally stable coupled-channel hyperspherical method

International Nuclear Information System (INIS)

Masili, Mauro; Groote, J.J. de

2004-01-01

Using a model potential representation combined with a variationally stable method, we present a precise calculation of the electric dipole polarizabilities of the sodium negative ion (Na - ). The effective two-electron eigensolutions for Na - are obtained from a hyperspherical coupled-channel calculation. This approach allows efficient error control and insight into the system's properties through one-dimensional potential curves. Our result of 1018.3 a.u. for the static dipole polarizability is in agreement with previous calculations and supports our results for the dynamic polarizability, which has scarcely been investigated hitherto

The self-similar field and its application to a diffusion problem

International Nuclear Information System (INIS)

Michelitsch, Thomas M

2011-01-01

We introduce a continuum approach which accounts for self-similarity as a symmetry property of an infinite medium. A self-similar Laplacian operator is introduced which is the source of self-similar continuous fields. In this way ‘self-similar symmetry’ appears in an analogous manner as transverse isotropy or cubic symmetry of a medium. As a consequence of the self-similarity the Laplacian is a non-local fractional operator obtained as the continuum limit of the discrete self-similar Laplacian introduced recently by Michelitsch et al (2009 Phys. Rev. E 80 011135). The dispersion relation of the Laplacian and its Green’s function is deduced in closed forms. As a physical application of the approach we analyze a self-similar diffusion problem. The statistical distributions, which constitute the solutions of this problem, turn out to be Lévi-stable distributions with infinite variances characterizing the statistics of one-dimensional Lévi flights. The self-similar continuum approach introduced in this paper has the potential to be applied on a variety of scale invariant and fractal problems in physics such as in continuum mechanics, electrodynamics and in other fields. (paper)

Stable isotope composition of human fingernails from Slovakia

Energy Technology Data Exchange (ETDEWEB)

Grolmusová, Zuzana, E-mail: zuzana.grolmusova@geology.sk [Comenius University in Bratislava, Faculty of Mathematics, Physics and Informatics, Department of Experimental Physics, Mlynská dolina F2, 842 48 Bratislava (Slovakia); State Geological Institute of Dionýz Štúr, Laboratory of Isotope Geology, Mlynská dolina 1, 817 04 Bratislava (Slovakia); Rapčanová, Anna [Comenius University in Bratislava, Faculty of Mathematics, Physics and Informatics, Department of Experimental Physics, Mlynská dolina F2, 842 48 Bratislava (Slovakia); Michalko, Juraj; Čech, Peter [State Geological Institute of Dionýz Štúr, Laboratory of Isotope Geology, Mlynská dolina 1, 817 04 Bratislava (Slovakia); Veis, Pavel [Comenius University in Bratislava, Faculty of Mathematics, Physics and Informatics, Department of Experimental Physics, Mlynská dolina F2, 842 48 Bratislava (Slovakia); State Geological Institute of Dionýz Štúr, Laboratory of Isotope Geology, Mlynská dolina 1, 817 04 Bratislava (Slovakia)

2014-10-15

Stable isotope composition of human fingernails has proven to be useful for documenting human dietary information and geographical patterns in archeological, forensic, anthropological and biological studies. Therefore, it is of interest to detect all factors influencing the stable isotopic composition in the certain regions in the world. Carbon and nitrogen isotope data of human fingernail keratin from 52 individuals from Slovakia were reported in this study. The online combustion and continuous flow isotope-ratio mass spectrometer Delta V Advantage was used for δ{sup 13}C and δ{sup 15}N analysis of fingernail keratin samples from 24 vegetarian and 28 omnivorous individuals. A group of people with frequent meat consumption showed enrichment in {sup 13}C and {sup 15}N isotopes in fingernails. A similar trend was observed with increasing seafood in an individual's diet. Moreover a significant difference was revealed between smokers and nonsmokers for both δ{sup 13}C and δ{sup 15}N values. These data were compared to previously published δ{sup 13}C and δ{sup 15}N fingernail values from across the globe. This study brings new information on the stable isotope signature of individuals from Slovakia and characterizes the Central European region for the first time. The stable isotope composition of fingernails is influenced by the frequency of meat and seafood consumption as well as smoking. - Highlights: • This study deals with stable isotope analyses of fingernails from Slovak volunteers. • δ{sup 13}C and δ{sup 15}N values of vegetarian and omnivore fingernails were compared. • Influence of sex, diet and smoking was studied.

Teaching the Concept of Gibbs Energy Minimization through Its Application to Phase-Equilibrium Calculation

Science.gov (United States)

Privat, Romain; Jaubert, Jean-Noe¨l; Berger, Etienne; Coniglio, Lucie; Lemaitre, Ce´cile; Meimaroglou, Dimitrios; Warth, Vale´rie

2016-01-01

Robust and fast methods for chemical or multiphase equilibrium calculation are routinely needed by chemical-process engineers working on sizing or simulation aspects. Yet, while industrial applications essentially require calculation tools capable of discriminating between stable and nonstable states and converging to nontrivial solutions,…

Thermodynamic Calculations of Hydrogen-Oxygen Detonation Parameters for Various Initial Pressures

Science.gov (United States)

Bollinger, Loren E.; Edse, Rudolph

1961-01-01

Composition, temperature, pressure and density behind a stable detonation wave and its propagation rate have been calculated for seven hydrogen-oxygen mixture at 1, 5, 25 and 100 atm initial pressure, and at an initial temperature of 40C. For stoichiometric mixtures that calculations also include an initial temperature of 200C. According to these calculations the detonation velocities of hydrogen-oxygen mixtures increase with increasing initial pressure, but decrease slightly when the initial temperature is raised from 40 to 200 C. The calculated detonation velocities agree satisfactorily with values determined experimentally. These values will be published in the near future.

Bilateral Trade Flows and Income Distribution Similarity

Science.gov (United States)

2016-01-01

Current models of bilateral trade neglect the effects of income distribution. This paper addresses the issue by accounting for non-homothetic consumer preferences and hence investigating the role of income distribution in the context of the gravity model of trade. A theoretically justified gravity model is estimated for disaggregated trade data (Dollar volume is used as dependent variable) using a sample of 104 exporters and 108 importers for 1980–2003 to achieve two main goals. We define and calculate new measures of income distribution similarity and empirically confirm that greater similarity of income distribution between countries implies more trade. Using distribution-based measures as a proxy for demand similarities in gravity models, we find consistent and robust support for the hypothesis that countries with more similar income-distributions trade more with each other. The hypothesis is also confirmed at disaggregated level for differentiated product categories. PMID:27137462

The calculated solubilities of hematite, magnetite and lepidocrocite in steam generator feedtrains

International Nuclear Information System (INIS)

Jobe, D.

1997-05-01

The solubility of three iron oxides [hematite (α-Fe 2 O 3 (s)), magnetite (Fe 3 O 4 (s)) and lepidocrocite (γ-FeOOH(s))] under representative steam generator feedtrain conditions were calculated using a thermodynamic database for these oxides and the associated aqueous species. Using this database, we calculated the solubility of iron for both Fe 3 O 4 (s) in equilibrium with other iron oxides and for the individual oxides in the presence of various oxygen partial pressures. The results indicate that the solubility of iron is strongly dependent on redox conditions, represented either by dissolved H 2 or O 2 concentration, or by the presence of other iron oxides (stable or metastable). The solubility behaviour of these oxides can be explained by changes in the aqueous-phase speciation of iron with temperature and pH. Similar calculations for the individual oxides in the presence Of O 2 (g) are also presented and were used to construct temperature-dependent phase diagrams for these oxides in equilibrium (including metastable conditions) with 1 ppb (ppb - μg·kg -1 ) of soluble iron. Calculations were also performed for feedtrain solutions containing 5 ppb of dissolved oxygen and pH buffered using mixtures of amines. From these calculations it was concluded that, relative to the oxidation potential and temperature of the feedtrain solution, changing the pH-buffer has only a minor effect on iron solubility. The effect of the variation in iron solubility along the feedtrain with solution pH, temperature and redox potential on corrosion-product transport to the boiler is also discussed. (author)

A shortest-path graph kernel for estimating gene product semantic similarity

Directory of Open Access Journals (Sweden)

Alvarez Marco A

2011-07-01

Full Text Available Abstract Background Existing methods for calculating semantic similarity between gene products using the Gene Ontology (GO often rely on external resources, which are not part of the ontology. Consequently, changes in these external resources like biased term distribution caused by shifting of hot research topics, will affect the calculation of semantic similarity. One way to avoid this problem is to use semantic methods that are "intrinsic" to the ontology, i.e. independent of external knowledge. Results We present a shortest-path graph kernel (spgk method that relies exclusively on the GO and its structure. In spgk, a gene product is represented by an induced subgraph of the GO, which consists of all the GO terms annotating it. Then a shortest-path graph kernel is used to compute the similarity between two graphs. In a comprehensive evaluation using a benchmark dataset, spgk compares favorably with other methods that depend on external resources. Compared with simUI, a method that is also intrinsic to GO, spgk achieves slightly better results on the benchmark dataset. Statistical tests show that the improvement is significant when the resolution and EC similarity correlation coefficient are used to measure the performance, but is insignificant when the Pfam similarity correlation coefficient is used. Conclusions Spgk uses a graph kernel method in polynomial time to exploit the structure of the GO to calculate semantic similarity between gene products. It provides an alternative to both methods that use external resources and "intrinsic" methods with comparable performance.

First principles calculations for interaction of tyrosine with (ZnO)3 cluster

Science.gov (United States)

Singh, Satvinder; Singh, Gurinder; Kaura, Aman; Tripathi, S. K.

2018-04-01

First Principles Calculations have been performed to study interactions of Phenol ring of Tyrosine (C6H5OH) with (ZnO)3 atomic cluster. All the calculations have been performed under the Density Functional Theory (DFT) framework. Structural and electronic properties of (ZnO)3/C6H5OH have been studied. Gaussian basis set approach has been adopted for the calculations. A ring type most stable (ZnO)3 atomic cluster has been modeled, analyzed and used for the calculations. The compatibility of the results with previous studies has been presented here.

Areal Feature Matching Based on Similarity Using Critic Method

Science.gov (United States)

Kim, J.; Yu, K.

2015-10-01

In this paper, we propose an areal feature matching method that can be applied for many-to-many matching, which involves matching a simple entity with an aggregate of several polygons or two aggregates of several polygons with fewer user intervention. To this end, an affine transformation is applied to two datasets by using polygon pairs for which the building name is the same. Then, two datasets are overlaid with intersected polygon pairs that are selected as candidate matching pairs. If many polygons intersect at this time, we calculate the inclusion function between such polygons. When the value is more than 0.4, many of the polygons are aggregated as single polygons by using a convex hull. Finally, the shape similarity is calculated between the candidate pairs according to the linear sum of the weights computed in CRITIC method and the position similarity, shape ratio similarity, and overlap similarity. The candidate pairs for which the value of the shape similarity is more than 0.7 are determined as matching pairs. We applied the method to two geospatial datasets: the digital topographic map and the KAIS map in South Korea. As a result, the visual evaluation showed two polygons that had been well detected by using the proposed method. The statistical evaluation indicates that the proposed method is accurate when using our test dataset with a high F-measure of 0.91.

A quick method to calculate QTL confidence interval

Indian Academy of Sciences (India)

2011-08-19

Aug 19, 2011 ... experimental design and analysis to reveal the real molecular nature of the ... strap sample form the bootstrap distribution of QTL location. The 2.5 and ..... ative probability to harbour a true QTL, hence x-LOD rule is not stable ... Darvasi A. and Soller M. 1997 A simple method to calculate resolv- ing power ...

Linear uranium complexes X2UL5 with L=cyanide, iso-cyanate: DFT evidence for similarities between uranyl (X = O) and uranocene (X = Cp) derivatives

International Nuclear Information System (INIS)

Iche-Tarrat, N.; Marsden, Colin J.; Barros, N.; Maron, L.; Barros, N.

2008-01-01

A DFT study of the isostructural compounds [UO 2 L 5 ] n- with n=3-5 and linear [Cp 2 UL 5 ] m- with m=1-3 has been carried out for two different anionic ligands. Structurally stable structures are obtained for all systems. The coordination competition between cyanide (CN - ) and isocyanide (NC - ) as well as between cyanate (OCN - ) and iso-cyanate (NCO - ) has been studied in the uranyl case. A clear preference for cyanide and iso-cyanate complexes is reported. The coordination of five ligands in the equatorial plane is rationalized by the analysis of the MO diagram of both systems. Moreover, the qualitative comparison of the two MO diagrams shows a high similarity in agreement with the isolobality concept. The existence of linear [Cp 2 UL 5 ] - organometallic U(VI) complexes is thus proposed, as well as the possibility of obtaining complexes of both types for U(VI) and U(V) with OCN - ligands. In addition, the U(IV) linear metallocene is calculated to be stable for the latter ligand. (authors)

DSCImageCalc – Software for Determining Similarity Coefficients for the Analysis of Image Segmentations

Directory of Open Access Journals (Sweden)

Tom Lawton

2017-10-01

Full Text Available DSCImageCalc is free software for calculating similarity coefficients on segmented images. It is written in Visual BASIC .NET and is available at: https://doi.org/10.6084/m9.figshare.894428. It presently calculates Sørensen-Dice Coefficient, Jaccard Coefficient, Proportional Agreement, Cohen’s Kappa, Goodman & Kruskal’s Gamma, and Rogot-Goldberg Agreement. It also calculates segment centroids and the distance between them. Whilst it was originally designed for calculating Dice coefficients on segmentations of ultrasound images, it has potential for re-use in any field where similarity of image segments is to be analysed; predominantly medical radiology and ecology.

Correlating Information Contents of Gene Ontology Terms to Infer Semantic Similarity of Gene Products

Directory of Open Access Journals (Sweden)

Mingxin Gan

2014-01-01

Full Text Available Successful applications of the gene ontology to the inference of functional relationships between gene products in recent years have raised the need for computational methods to automatically calculate semantic similarity between gene products based on semantic similarity of gene ontology terms. Nevertheless, existing methods, though having been widely used in a variety of applications, may significantly overestimate semantic similarity between genes that are actually not functionally related, thereby yielding misleading results in applications. To overcome this limitation, we propose to represent a gene product as a vector that is composed of information contents of gene ontology terms annotated for the gene product, and we suggest calculating similarity between two gene products as the relatedness of their corresponding vectors using three measures: Pearson’s correlation coefficient, cosine similarity, and the Jaccard index. We focus on the biological process domain of the gene ontology and annotations of yeast proteins to study the effectiveness of the proposed measures. Results show that semantic similarity scores calculated using the proposed measures are more consistent with known biological knowledge than those derived using a list of existing methods, suggesting the effectiveness of our method in characterizing functional relationships between gene products.

Biosynthetic effects on the stable carbon isotopic compositions of agal lipids: Implications for deciphering the carbon isotopic biomarker record

NARCIS (Netherlands)

Sinninghe Damsté, J.S.; Schouten, S.; Klein Breteler, W.C.M.; Blokker, P.; Schogt, N.; Rijpstra, W.I.C.; Grice, K.; Baas, M.

1998-01-01

Thirteen species of algae covering an extensive range of classes were cultured and stable carbon isotopic compositions of their lipids were analysed in order to assess carbon isotopic fractionation effects during their biosynthesis. The fatty acids were found to have similar stable carbon isotopic

Minimization of gully erosion on reclaimed surface mines using the stable slope and sediment transport computer model

International Nuclear Information System (INIS)

McKenney, R.A.; Gardner, T.G.

1992-01-01

Disequilibrium between slope form and hydrologic and erosion processes on reclaimed surface coal mines in the humid temperate northeastern US, can result in gully erosion and sediment loads which are elevated above natural, background values. Initial sheetwash erosion is surpassed by gully erosion on reclamation sites which are not in equilibrium with post-mining hydrology. Long-term stability can be attained by designing a channel profile which is in equilibrium with the increased peak discharges found on reclaimed surface mines. The Stable Slope and Sediment transport model (SSAST) was developed to design stable longitudinal channel profiles for post-mining hydrologic and erosional processes. SSAST is an event based computer model that calculates the stable slope for a channel segment based on the post-mine hydrology and median grain size of a reclaimed surface mine. Peak discharge, which drives post-mine erosion, is calculated from a 10-year, 24-hour storm using the Soil Conservation Service curve number method. Curve number calibrated for Pennsylvania surface mines are used. Reclamation sites are represented by the rectangle of triangle which most closely fits the shape of the site while having the same drainage area and length. Sediment transport and slope stability are calculated using a modified Bagnold's equation with a correction factor for the irregular particle shapes formed during the mining process. Data from three reclaimed Pennsylvania surface mines were used to calibrate and verify SSAST. Analysis indicates that SSAST can predict longitudinal channel profiles for stable reclamation of surface mines in the humid, temperate northeastern US

AREAL FEATURE MATCHING BASED ON SIMILARITY USING CRITIC METHOD

Directory of Open Access Journals (Sweden)

J. Kim

2015-10-01

Full Text Available In this paper, we propose an areal feature matching method that can be applied for many-to-many matching, which involves matching a simple entity with an aggregate of several polygons or two aggregates of several polygons with fewer user intervention. To this end, an affine transformation is applied to two datasets by using polygon pairs for which the building name is the same. Then, two datasets are overlaid with intersected polygon pairs that are selected as candidate matching pairs. If many polygons intersect at this time, we calculate the inclusion function between such polygons. When the value is more than 0.4, many of the polygons are aggregated as single polygons by using a convex hull. Finally, the shape similarity is calculated between the candidate pairs according to the linear sum of the weights computed in CRITIC method and the position similarity, shape ratio similarity, and overlap similarity. The candidate pairs for which the value of the shape similarity is more than 0.7 are determined as matching pairs. We applied the method to two geospatial datasets: the digital topographic map and the KAIS map in South Korea. As a result, the visual evaluation showed two polygons that had been well detected by using the proposed method. The statistical evaluation indicates that the proposed method is accurate when using our test dataset with a high F-measure of 0.91.

One-dimensional stable distributions

CERN Document Server

Zolotarev, V M

1986-01-01

This is the first book specifically devoted to a systematic exposition of the essential facts known about the properties of stable distributions. In addition to its main focus on the analytic properties of stable laws, the book also includes examples of the occurrence of stable distributions in applied problems and a chapter on the problem of statistical estimation of the parameters determining stable laws. A valuable feature of the book is the author's use of several formally different ways of expressing characteristic functions corresponding to these laws.

Chaotic and stable perturbed maps: 2-cycles and spatial models

Science.gov (United States)

Braverman, E.; Haroutunian, J.

2010-06-01

As the growth rate parameter increases in the Ricker, logistic and some other maps, the models exhibit an irreversible period doubling route to chaos. If a constant positive perturbation is introduced, then the Ricker model (but not the classical logistic map) experiences period doubling reversals; the break of chaos finally gives birth to a stable two-cycle. We outline the maps which demonstrate a similar behavior and also study relevant discrete spatial models where the value in each cell at the next step is defined only by the values at the cell and its nearest neighbors. The stable 2-cycle in a scalar map does not necessarily imply 2-cyclic-type behavior in each cell for the spatial generalization of the map.

Bi-stable optical actuator

Science.gov (United States)

Holdener, Fred R.; Boyd, Robert D.

2000-01-01

The present invention is a bi-stable optical actuator device that is depowered in both stable positions. A bearing is used to transfer motion and smoothly transition from one state to another. The optical actuator device may be maintained in a stable position either by gravity or a restraining device.

Magnetism of hexagonal close-packed nickel calculated by full-potential linearized augmented plane wave method

International Nuclear Information System (INIS)

Tian, F.; Tian, H.; Whitmore, L.; Ye, L.Y.

2015-01-01

The energy dependent on volume of hexagonal close-packed (hcp) nickel with different magnetism is calculated by full-potential linearized augmented plane wave method. Based on the calculation ferromagnetic state is found to be the most stable state. The magnetic moment of hcp Ni is calculated and compared to those calculated by different pseudo-potential methods. Furthermore, it is also compared to that of face-centered cubic (fcc) one with the reason discussed

Estimating the similarity of alternative Affymetrix probe sets using transcriptional networks

Science.gov (United States)

2013-01-01

Background The usefulness of the data from Affymetrix microarray analysis depends largely on the reliability of the files describing the correspondence between probe sets, genes and transcripts. Particularly, when a gene is targeted by several probe sets, these files should give information about the similarity of each alternative probe set pair. Transcriptional networks integrate the multiple correlations that exist between all probe sets and supply much more information than a simple correlation coefficient calculated for two series of signals. In this study, we used the PSAWN (Probe Set Assignment With Networks) programme we developed to investigate whether similarity of alternative probe sets resulted in some specific properties. Findings PSAWNpy delivered a full textual description of each probe set and information on the number and properties of secondary targets. PSAWNml calculated the similarity of each alternative probe set pair and allowed finding relationships between similarity and localisation of probes in common transcripts or exons. Similar alternative probe sets had very low negative correlation, high positive correlation and similar neighbourhood overlap. Using these properties, we devised a test that allowed grouping similar probe sets in a given network. By considering several networks, additional information concerning the similarity reproducibility was obtained, which allowed defining the actual similarity of alternative probe set pairs. In particular, we calculated the common localisation of probes in exons and in known transcripts and we showed that similarity was correctly correlated with them. The information collected on all pairs of alternative probe sets in the most popular 3’ IVT Affymetrix chips is available in tabular form at http://bns.crbm.cnrs.fr/download.html. Conclusions These processed data can be used to obtain a finer interpretation when comparing microarray data between biological conditions. They are particularly well

Estimating the similarity of alternative Affymetrix probe sets using transcriptional networks.

Science.gov (United States)

Bellis, Michel

2013-03-21

The usefulness of the data from Affymetrix microarray analysis depends largely on the reliability of the files describing the correspondence between probe sets, genes and transcripts. Particularly, when a gene is targeted by several probe sets, these files should give information about the similarity of each alternative probe set pair. Transcriptional networks integrate the multiple correlations that exist between all probe sets and supply much more information than a simple correlation coefficient calculated for two series of signals. In this study, we used the PSAWN (Probe Set Assignment With Networks) programme we developed to investigate whether similarity of alternative probe sets resulted in some specific properties. PSAWNpy delivered a full textual description of each probe set and information on the number and properties of secondary targets. PSAWNml calculated the similarity of each alternative probe set pair and allowed finding relationships between similarity and localisation of probes in common transcripts or exons. Similar alternative probe sets had very low negative correlation, high positive correlation and similar neighbourhood overlap. Using these properties, we devised a test that allowed grouping similar probe sets in a given network. By considering several networks, additional information concerning the similarity reproducibility was obtained, which allowed defining the actual similarity of alternative probe set pairs. In particular, we calculated the common localisation of probes in exons and in known transcripts and we showed that similarity was correctly correlated with them. The information collected on all pairs of alternative probe sets in the most popular 3' IVT Affymetrix chips is available in tabular form at http://bns.crbm.cnrs.fr/download.html. These processed data can be used to obtain a finer interpretation when comparing microarray data between biological conditions. They are particularly well adapted for searching 3' alternative

Validation of ICD-9 Codes for Stable Miscarriage in the Emergency Department.

Science.gov (United States)

Quinley, Kelly E; Falck, Ailsa; Kallan, Michael J; Datner, Elizabeth M; Carr, Brendan G; Schreiber, Courtney A

2015-07-01

International Classification of Disease, Ninth Revision (ICD-9) diagnosis codes have not been validated for identifying cases of missed abortion where a pregnancy is no longer viable but the cervical os remains closed. Our goal was to assess whether ICD-9 code "632" for missed abortion has high sensitivity and positive predictive value (PPV) in identifying patients in the emergency department (ED) with cases of stable early pregnancy failure (EPF). We studied females ages 13-50 years presenting to the ED of an urban academic medical center. We approached our analysis from two perspectives, evaluating both the sensitivity and PPV of ICD-9 code "632" in identifying patients with stable EPF. All patients with chief complaints "pregnant and bleeding" or "pregnant and cramping" over a 12-month period were identified. We randomly reviewed two months of patient visits and calculated the sensitivity of ICD-9 code "632" for true cases of stable miscarriage. To establish the PPV of ICD-9 code "632" for capturing missed abortions, we identified patients whose visits from the same time period were assigned ICD-9 code "632," and identified those with actual cases of stable EPF. We reviewed 310 patient records (17.6% of 1,762 sampled). Thirteen of 31 patient records assigned ICD-9 code for missed abortion correctly identified cases of stable EPF (sensitivity=41.9%), and 140 of the 142 patients without EPF were not assigned the ICD-9 code "632"(specificity=98.6%). Of the 52 eligible patients identified by ICD-9 code "632," 39 cases met the criteria for stable EPF (PPV=75.0%). ICD-9 code "632" has low sensitivity for identifying stable EPF, but its high specificity and moderately high PPV are valuable for studying cases of stable EPF in epidemiologic studies using administrative data.

Remarks on stable and quasi-stable k-strings at large N

International Nuclear Information System (INIS)

Armoni, A.; Shifman, M.

2003-01-01

We discuss k-strings in the large-N Yang-Mills theory and its supersymmetric extension. Whereas the tension of the bona fide (stable) QCD string is expected to depend only on the N-ality of the representation, tensions that depend on specific representation R are often reported in the lattice literature. In particular, adjoint strings are discussed and found in certain simulations. We clarify this issue by systematically exploiting the notion of the quasi-stable strings which becomes well-defined at large N. The quasi-stable strings with representation-dependent tensions decay, but the decay rate (per unit length per unit time) is suppressed as Λ 2 F(N) where F(N) falls off as a function of N. It can be determined on the case-by-case basis. The quasi-stable strings eventually decay into stable strings whose tension indeed depends only on the N-ality. We also briefly review large-N arguments showing why the Casimir formula for the string tension cannot be correct, and present additional arguments in favor of the sine formula. Finally, we comment on the relevance of our estimates to Euclidean lattice measurements

Metabolic alkalosis in adults with stable cystic fibrosis.

Science.gov (United States)

Al-Ghimlas, Fahad; Faughnan, Marie E; Tullis, Elizabeth

2012-01-01

The frequency of metabolic alkalosis among adults with stable severe CF-lung disease is unknown. Retrospective chart review. Fourteen CF and 6 COPD (controls) patients were included. FEV1 was similar between the two groups. PaO2 was significantly higher in the COPD (mean ± 2 SD is 72.0 ± 6.8 mmHg,) than in the CF group (56.1 ± 4.1 mmHg). The frequency of metabolic alkalosis in CF patients (12/14, 86%) was significantly greater (p=0.04) than in the COPD group (2/6, 33%). Mixed respiratory acidosis and metabolic alkalosis was evident in 4 CF and 1 COPD patients. Primary metabolic alkalosis was observed in 8 CF and none of the COPD patients. One COPD patient had respiratory and metabolic alkalosis. Metabolic alkalosis is more frequent in stable patients with CF lung disease than in COPD patients. This might be due to defective CFTR function with abnormal electrolyte transport within the kidney and/ or gastrointestinal tract.

Evolutionary Stable Strategy

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 21; Issue 9. Evolutionary Stable Strategy: Application of Nash Equilibrium in Biology. General Article Volume 21 Issue 9 September 2016 pp 803- ... Keywords. Evolutionary game theory, evolutionary stable state, conflict, cooperation, biological games.

Assessment of Bacterial Degradation of Aromatic Hydrocarbons in the Environment by Analysis of Stable Carbon Isotope Fractionation

Energy Technology Data Exchange (ETDEWEB)

Meckenstock, Rainer U. [Eberhard-Karls University of Tuebingen, Center for Applied Geoscience (Germany)], E-mail: rainer.meckenstock@uni-tuebingen.de; Morasch, Barbara [University of Konstanz, Faculty of Biology (Germany); Kaestner, Matthias; Vieth, Andrea; Richnow, Hans Hermann [Center for Environmental Research, Department of Remediation Research (Germany)

2002-05-15

{sup 13}C/{sup 12}C stable carbon isotope fractionation was used to assess biodegradation in contaminated aquifers with toluene as a model compound. Different strains of anaerobic bacteria (Thauera aromatica, Geobacter metallireducens, and the sulfate-reducing strain TRM1) showed consistent {sup 13}C/{sup 12}C carbon isotope fractionation with fractionation factors between {alpha}C = 1.0017 and 1.0018. In contrast, three cultures of aerobic organisms, using different mono- and dioxygenase enzyme systems to initiate toluene degradation, showed variable isotope fractionation factors of {alpha}C = 1.0027 (Pseudomonasputida strain mt-2), {alpha}C = 1.0011 (Ralstonia picketii), and{alpha}C = 1.0004 (Pseudomonas putida strain F1). The great variability of isotope fractionation between different aerobic bacterial strains suggests that interpretation of isotope data in oxic habitats can only be qualitative. A soil column was run as a model system for contaminated aquifers with toluene as the carbon source and sulfate as the electron acceptor and samples were taken at different ports along the column. Microbial toluene degradation was calculated based on the {sup 13}C/{sup 12}C isotope fractionation factors of the batch culture experiments together with the observed {sup 13}C/{sup 12}C isotope shifts of the residual toluene fractions. The calculated percentage of biodegradation, B, correlated well with the decreasing toluene concentrations at the sampling ports and indicated the increasing extent of biodegradation along the column. The theoretical toluene concentrations as calculated based on the isotope values matched the measured concentrations at the different sampling ports indicating that the Rayleigh equation can be used to calculate biodegradation in quasi closed systems based on measured isotope shifts. A similar attempt was performed to assess toluene degradation in a contaminated, anoxic aquifer. A transect of groundwater wells was monitored along the main

Reactor calculations and nuclear information

International Nuclear Information System (INIS)

Lang, D.W.

1977-12-01

The relationship of sets of nuclear parameters and the macroscopic reactor quantities that can be calculated from them is examined. The framework of the study is similar to that of Usachev and Bobkov. The analysis is generalised and some properties required by common sense are demonstrated. The form of calculation permits revision of the parameter set. It is argued that any discrepancy between a calculation and measurement of a macroscopic quantity is more useful when applied directly to prediction of other macroscopic quantities than to revision of the parameter set. The mathematical technique outlined is seen to describe common engineering practice. (Author)

Lithium formate ion clusters formation during electrospray ionization: Evidence of magic number clusters by mass spectrometry and ab initio calculations

International Nuclear Information System (INIS)

Shukla, Anil; Bogdanov, Bogdan

2015-01-01

Small cationic and anionic clusters of lithium formate were generated by electrospray ionization and their fragmentations were studied by tandem mass spectrometry (collision-induced dissociation with N 2 ). Singly as well as multiply charged clusters were formed in both positive and negative ion modes with the general formulae, (HCOOLi) n Li + , (HCOOLi) n Li m m+ , (HCOOLi) n HCOO − , and (HCOOLi) n (HCOO) m m− . Several magic number cluster (MNC) ions were observed in both the positive and negative ion modes although more predominant in the positive ion mode with (HCOOLi) 3 Li + being the most abundant and stable cluster ion. Fragmentations of singly charged positive clusters proceed first by the loss of a dimer unit ((HCOOLi) 2 ) followed by the loss of monomer units (HCOOLi) although the former remains the dominant dissociation process. In the case of positive cluster ions, all fragmentations lead to the magic cluster (HCOOLi) 3 Li + as the most abundant fragment ion at higher collision energies which then fragments further to dimer and monomer ions at lower abundances. In the negative ion mode, however, singly charged clusters dissociated via sequential loss of monomer units. Multiply charged clusters in both positive and negative ion modes dissociated mainly via Coulomb repulsion. Quantum chemical calculations performed for smaller cluster ions showed that the trimer ion has a closed ring structure similar to the phenalenylium structure with three closed rings connected to the central lithium ion. Further additions of monomer units result in similar symmetric structures for hexamer and nonamer cluster ions. Thermochemical calculations show that trimer cluster ion is relatively more stable than neighboring cluster ions, supporting the experimental observation of a magic number cluster with enhanced stability

Uptake of radionuclides and stable elements from paddy soil to rice: a review

International Nuclear Information System (INIS)

Uchida, S.; Tagami, K.; Shang, Z.R.; Choi, Y.H.

2009-01-01

The critical paths for radionuclides and the critical foods in Asian countries differ from those in Western countries because agricultural products and diets are different. Consequently, safety assessments for Asian countries must consider rice as a critical food. As most rice is produced under flooded conditions, the uptake of radionuclides by rice is affected by soil conditions. In this report, we summarize radionuclide and stable element soil-to-plant transfer factors (TFs) for rice. Field observation results for fallout 137 Cs and stable Cs TFs indicated that while fallout 137 Cs had higher TF than stable Cs over several decades, the GM (geometric mean) values were similar with the GM of TF value for 137 Cs being 3.6 x 10 -3 and that for stable Cs being 2.5 x 10 -3 . Although there are some limitations to the use of TF for stable elements under some circumstances, these values can be used to evaluate long-term transfer of long-lived radionuclides in the environment. The compiled data showed that TF values were higher in brown rice than in white rice because distribution patterns for elements were different in the bran and white parts of rice grains.

Apparatus to detect stable fractional charges on matter

International Nuclear Information System (INIS)

Vanderspek, R.

1980-04-01

The construction of an apparatus designed to detect stable fractional charges on matter, if they exist, to the level of 10 -24 per nucleon is reported and discussed. The charges on a stream of highly consistent droplets produced by the apparatus are determined by accurate measurement of the deflection of the droplets in falling through a static electric field. Maintenance of certain parameters of operation calculated to limit the random effects of electrical and aerodynamical disturbances on the droplets indicate a precision in the measurement of the charge on a droplet of 0.02e can be attained. 7 figures

Efficient free energy calculations for compounds with multiple stable conformations separated by high energy barriers

NARCIS (Netherlands)

Hritz, J.; Oostenbrink, C.

2009-01-01

Compounds with high intramolecular energy barriers represent challenging targets for free energy calculations because of the difficulty to obtain sufficient conformational sampling. Existing approaches are therefore computationally very demanding, thus preventing practical applications for such

A simple route to prepare stable hydroxyapatite nanoparticles suspension

International Nuclear Information System (INIS)

Han Yingchao; Wang Xinyu; Li Shipu

2009-01-01

A simple ultrasound assisted precipitation method with addition of glycosaminoglycans (GAGs) is proposed to prepare stable hydroxyapatite (HAP) nanoparticles suspension from the mixture of Ca(H 2 PO 4 ) 2 solution and Ca(OH) 2 solution. The product was characterized by XRD, FT-IR, TEM, HRTEM and particle size, and zeta potential analyzer. TEM observation shows that the suspension is composed of 10-20 nm x 20-50 nm short rod-like and 10-30 nm similar spherical HAP nanoparticles. The number-averaged particle size of stable suspension is about 30 nm between 11.6 and 110.5 nm and the zeta potential is -60.9 mV. The increase of stability of HAP nanoparticles suspension mainly depends on the electrostatic effect and steric effect of GAGs. The HAP nanoparticles can be easily transported into the cancer cells and exhibit good potential as gene or drug carrier system.

Physiological and phylogenetic characterization of a stable benzene-degrading, chlorate-reducing microbial community

NARCIS (Netherlands)

Weelink, S.A.B.; Tan, N.C.G.; Broeke, H. ten; Doesburg, W. van; Langenhoff, A.A.M.; Gerritse, J.; Stams, A.J.M.

2007-01-01

A stable anoxic enrichment culture was obtained that degraded benzene with chlorate as an electron acceptor. The benzene degradation rate was 1.65 mM benzene per day, which is similar to reported aerobic benzene degradation rates but 20-1650 times higher than reported for anaerobic benzene

Ti, Al and N adatom adsorption and diffusion on rocksalt cubic AlN (001) and (011) surfaces: Ab initio calculations

Science.gov (United States)

Mastail, C.; David, M.; Nita, F.; Michel, A.; Abadias, G.

2017-11-01

We use ab initio calculations to determine the preferred nucleation sites and migration pathways of Ti, Al and N adatoms on cubic NaCl-structure (B1) AlN surfaces, primary inputs towards a further thin film growth modelling of the TiAlN alloy system. The potential energy landscape is mapped out for both metallic species and nitrogen adatoms for two different AlN surface orientations, (001) and (110), using density functional theory. For all species, the adsorption energies on AlN(011) surface are larger than on AlN(001) surface. Ti and Al adatom adsorption energy landscapes determined at 0 K by ab initio show similar features, with stable binding sites being located in, or near, epitaxial surface positions, with Ti showing a stronger binding compared to Al. In direct contrast, N adatoms (Nad) adsorb preferentially close to N surface atoms (Nsurf), thus forming strong N2-molecule-like bonds on both AlN(001) and (011). Similar to N2 desorption mechanisms reported for other cubic transition metal nitride surfaces, in the present work we investigate Nad/Nsurf desorption on AlN(011) using a drag calculation method. We show that this process leaves a Nsurf vacancy accompanied with a spontaneous surface reconstruction, highlighting faceting formation during growth.

Classification of Unknown Thermocouple Types Using Similarity Factor Measurement

Directory of Open Access Journals (Sweden)

Seshu K. DAMARLA

2011-01-01

Full Text Available In contrast to classification using PCA method, a new methodology is proposed for type identification of unknown thermocouple. The new methodology is based on calculating the degree of similarity between two multivariate datasets using two types of similarity factors. One similarity factor is based on principle component analysis and the angles between the principle component subspaces while the other is based on the Mahalanobis distance between the datasets. Datasets containing thermo-emfs against given temperature ranges are formed for each type of thermocouple (e.g. J, K, S, T, R, E, B and N type by experimentation are considered as reference datasets. Datasets corresponding to unknown type are captured. Similarity factor between the datasets one of which being the unknown type and the other being each known type are compared. When maximum similarity factor occurs, then the class of unknown type is allocated to that of known type.

Metabolic Alkalosis in Adults with Stable Cystic Fibrosis

OpenAIRE

Al-Ghimlas, Fahad; Faughnan, Marie E; Tullis, Elizabeth

2012-01-01

Background: The frequency of metabolic alkalosis among adults with stable severe CF-lung disease is unknown. Methods: Retrospective chart review. Results: Fourteen CF and 6 COPD (controls) patients were included. FEV1 was similar between the two groups. PaO2 was significantly higher in the COPD (mean ± 2 SD is 72.0 ± 6.8 mmHg,) than in the CF group (56.1 ± 4.1 mmHg). The frequency of metabolic alkalosis in CF patients (12/14, 86%) was significantly greater (p=0.04) than in the COPD group (2/6...

Stable or unstable tear of the anterior cruciate ligament of the knee: an MR diagnosis?

Energy Technology Data Exchange (ETDEWEB)

Dyck, Pieter van; Gielen, Jan L.; Parizel, Paul M. [University Hospital Antwerp and University of Antwerp, Department of Radiology, Edegem (Belgium); Vanhoenacker, Filip M. [University Hospital Antwerp and University of Antwerp, Department of Radiology, Edegem (Belgium); AZ St-Maarten Duffel/Mechelen, Department of Radiology, Duffel (Belgium); Wouters, Kristien [University Hospital Antwerp and University of Antwerp, Department of Scientific Coordination and Biostatistics, Edegem (Belgium); Dossche, Lieven [University Hospital Antwerp and University of Antwerp, Department of Orthopedics, Edegem (Belgium)

2012-03-15

To determine the usefulness of magnetic resonance (MR) imaging to distinguish stable from unstable tears of the anterior cruciate ligament (ACL) of the knee. MR images of 97 patients with surgically confirmed ACL tear were retrospectively reviewed. According to arthroscopic and clinical examination, these patients had 36 stable and 61 unstable (9 partial and 52 complete) ACL tears. MR images were interpreted by two blinded reviewers and scored with respect to previously reported primary and secondary MR signs of ACL injury. Based on a comprehensive assessment of all the MR findings, ACLs were categorized as being stable or unstable. MR accuracy was calculated considering only primary MR signs and considering both primary and secondary MR signs of ACL injury, separately. Accuracy of each individual primary and secondary MR sign was calculated. Considering only primary MR signs, sensitivity, specificity, and accuracy of MR were 77, 92, and 82%, respectively. Considering both primary and secondary MR signs, sensitivity, specificity, and accuracy of MR were 59, 81, and 67%, respectively. Of all MR signs, discontinuity and abnormal orientation had highest test accuracy (79 and 87%, respectively). Anterior tibial translation, uncovering of the posterior horn of the lateral meniscus, and hyperbuckled PCL were only seen in unstable ACLs (specificity 100%), but these secondary findings had low sensitivity (23%). Bone contusion around the lateral knee compartment was seen in both unstable and stable ACLs (accuracy 64%). Previously reported MR imaging signs do not allow accurate distinction between clinically stable and unstable ACL injuries. Anterior tibial translation, uncovering of the posterior horn of the lateral meniscus, and hyperbuckled PCL, if present, are helpful signs in the diagnosis of an unstable tear. The presence of bone marrow edema around the lateral knee compartment is not predictive of ACL insufficiency. (orig.)

Large-scale calculations of the beta-decay rates and r-process nucleosynthesis

Energy Technology Data Exchange (ETDEWEB)

Borzov, I N; Goriely, S [Inst. d` Astronomie et d` Astrophysique, Univ. Libre de Bruxelles, Campus Plaine, Bruxelles (Belgium); Pearson, J M [Inst. d` Astronomie et d` Astrophysique, Univ. Libre de Bruxelles, Campus Plaine, Bruxelles (Belgium); [Lab. de Physique Nucleaire, Univ. de Montreal, Montreal (Canada)

1998-06-01

An approximation to a self-consistent model of the ground state and {beta}-decay properties of neutron-rich nuclei is outlined. The structure of the {beta}-strength functions in stable and short-lived nuclei is discussed. The results of large-scale calculations of the {beta}-decay rates for spherical and slightly deformed nuclides of relevance to the r-process are analysed and compared with the results of existing global calculations and recent experimental data. (orig.)

The role of self-similarity in singularities of partial differential equations

International Nuclear Information System (INIS)

Eggers, Jens; Fontelos, Marco A

2009-01-01

We survey rigorous, formal and numerical results on the formation of point-like singularities (or blow-up) for a wide range of evolution equations. We use a similarity transformation of the original equation with respect to the blow-up point, such that self-similar behaviour is mapped to the fixed point of a dynamical system. We point out that analysing the dynamics close to the fixed point is a useful way of characterizing the singularity, in that the dynamics frequently reduces to very few dimensions. As far as we are aware, examples from the literature either correspond to stable fixed points, low-dimensional centre-manifold dynamics, limit cycles or travelling waves. For each 'class' of singularity, we give detailed examples. (invited article)

Stable Boundary Layer Issues

OpenAIRE

Steeneveld, G.J.

2012-01-01

Understanding and prediction of the stable atmospheric boundary layer is a challenging task. Many physical processes are relevant in the stable boundary layer, i.e. turbulence, radiation, land surface coupling, orographic turbulent and gravity wave drag, and land surface heterogeneity. The development of robust stable boundary layer parameterizations for use in NWP and climate models is hampered by the multiplicity of processes and their unknown interactions. As a result, these models suffer ...

Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products

Science.gov (United States)

Schollée, Jennifer E.; Schymanski, Emma L.; Stravs, Michael A.; Gulde, Rebekka; Thomaidis, Nikolaos S.; Hollender, Juliane

2017-12-01

High-resolution tandem mass spectrometry (HRMS2) with electrospray ionization is frequently applied to study polar organic molecules such as micropollutants. Fragmentation provides structural information to confirm structures of known compounds or propose structures of unknown compounds. Similarity of HRMS2 spectra between structurally related compounds has been suggested to facilitate identification of unknown compounds. To test this hypothesis, the similarity of reference standard HRMS2 spectra was calculated for 243 pairs of micropollutants and their structurally related transformation products (TPs); for comparison, spectral similarity was also calculated for 219 pairs of unrelated compounds. Spectra were measured on Orbitrap and QTOF mass spectrometers and similarity was calculated with the dot product. The influence of different factors on spectral similarity [e.g., normalized collision energy (NCE), merging fragments from all NCEs, and shifting fragments by the mass difference of the pair] was considered. Spectral similarity increased at higher NCEs and highest similarity scores for related pairs were obtained with merged spectra including measured fragments and shifted fragments. Removal of the monoisotopic peak was critical to reduce false positives. Using a spectral similarity score threshold of 0.52, 40% of related pairs and 0% of unrelated pairs were above this value. Structural similarity was estimated with the Tanimoto coefficient and pairs with higher structural similarity generally had higher spectral similarity. Pairs where one or both compounds contained heteroatoms such as sulfur often resulted in dissimilar spectra. This work demonstrates that HRMS2 spectral similarity may indicate structural similarity and that spectral similarity can be used in the future to screen complex samples for related compounds such as micropollutants and TPs, assisting in the prioritization of non-target compounds. [Figure not available: see fulltext.

Exact and approximate multiple diffraction calculations

International Nuclear Information System (INIS)

Alexander, Y.; Wallace, S.J.; Sparrow, D.A.

1976-08-01

A three-body potential scattering problem is solved in the fixed scatterer model exactly and approximately to test the validity of commonly used assumptions of multiple scattering calculations. The model problem involves two-body amplitudes that show diffraction-like differential scattering similar to high energy hadron-nucleon amplitudes. The exact fixed scatterer calculations are compared to Glauber approximation, eikonal-expansion results and a noneikonal approximation

A retrospective analysis of pollen host plant use by stable and declining bumble bee species.

Science.gov (United States)

Kleijn, David; Raemakers, Ivo

2008-07-01

Understanding population declines has been the objective of a wide range of ecological studies. When species have become rare such studies are complicated because particular behavior or life history traits may be the cause but also the result of the decline of a species. We approached this problem by studying species' characteristics on specimens that were collected before the onset of their decline and preserved in natural history museums. In northwestern Europe, some bumble bee species declined dramatically during the 20th century whereas other, ecologically similar, species maintained stable populations. A long-standing debate focuses on whether this is caused by declining species having stricter host plant preferences. We compared the composition of pollen loads of five bumble bee species with stable populations and five with declining populations using museum specimens collected before 1950 in Belgium, England, and The Netherlands. Prior to 1950, the number of plant taxa in pollen loads of declining species was almost one-third lower than that in stable species even though individuals of stable and declining species generally originated from the same areas. There were no systematic differences in the composition of pollen loads between stable and declining species, but the plant taxa preferred by declining species before 1950 had experienced a stronger decline in the 20th century than those preferred by stable species. In 2004 and 2005, we surveyed the areas where bumble bees had been caught in the past and compared the composition of past and present pollen loads of the stable, but not of the by now locally extinct declining species. The number of collected pollen taxa was similar, but the composition differed significantly between the two periods. Differences in composition reflected the major changes in land use in northwestern Europe but also the spread of the invasive plant species Impatiens glandulifera. The main question now is why declining species

Screening nitrogen-rich bases and oxygen-rich acids by theoretical calculations for forming highly stable salts.

Science.gov (United States)

Zhang, Xueli; Gong, Xuedong

2014-08-04

Nitrogen-rich heterocyclic bases and oxygen-rich acids react to produce energetic salts with potential application in the field of composite explosives and propellants. In this study, 12 salts formed by the reaction of the bases 4-amino-1,2,4-trizole (A), 1-amino-1,2,4-trizole (B), and 5-aminotetrazole (C), upon reaction with the acids HNO3 (I), HN(NO2 )2 (II), HClO4 (III), and HC(NO2 )3 (IV), are studied using DFT calculations at the B97-D/6-311++G** level of theory. For the reactions with the same base, those of HClO4 are the most exothermic and spontaneous, and the most negative Δr Gm in the formation reaction also corresponds to the highest decomposition temperature of the resulting salt. The ability of anions and cations to form hydrogen bonds decreases in the order NO3 (-) >N(NO2 )2 (-) >ClO4 (-) >C(NO2 )3 (-) , and C(+) >B(+) >A(+) . In particular, those different cation abilities are mainly due to their different conformations and charge distributions. For the salts with the same anion, the larger total hydrogen-bond energy (EH,tot ) leads to a higher melting point. The order of cations and anions on charge transfer (q), second-order perturbation energy (E2 ), and binding energy (Eb ) are the same to that of EH,tot , so larger q leads to larger E2 , Eb , and EH,tot . All salts have similar frontier orbitals distributions, and their HOMO and LUMO are derived from the anion and the cation, respectively. The molecular orbital shapes are kept as the ions form a salt. To produce energetic salts, 5-aminotetrazole and HClO4 are the preferred base and acid, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atmospheric dispersion calculations in a low mountain area

International Nuclear Information System (INIS)

Schmid, S.

1987-01-01

The applicability of the Gaussian model for assessing the short-range environmental exposure from an emission source in a topographically inhomogeneous terrain is tested. An atmospheric dispersion model of general applicability is used, which is based on results of hydrodynamic flow models. Approaches for turbulence and radiation parameterization are tested by means of a vertically one-dimensional flow model. In order to introduce the effects of the topography in the boundary-layer simulations, the three-dimensional mesoscale model (Ulrich) is applied. The two models are verified by way of episode simulation using wind profile measurements. The differences in the models' results are to show the topographic influence. The calculated flow fields serve as input to a randomwalk model applied for calculating ground-level concentration fields in the vicinity of an emission source. The Gaussian model underestimates the pollution under stable conditions. Convectivity conditions may change the effective source hight through vertical effects caused by orography which, depending on the direction of free flow, leads to an increase or decrease of pollutant concentration at ground level. Applying the more complex dispersion model, the concentration maxima under stable conditions are closer to the source by a factor five, and under unstable conditions about one and a half times more remote. (orig./HP) [de

Biorthogonal projected energies of a Gutzwiller similarity transformed Hamiltonian.

Science.gov (United States)

Wahlen-Strothman, J M; Scuseria, G E

2016-12-07

We present a method incorporating biorthogonal orbital-optimization, symmetry projection, and double-occupancy screening with a non-unitary similarity transformation generated by the Gutzwiller factor [Formula: see text], and apply it to the Hubbard model. Energies are calculated with mean-field computational scaling with high-quality results comparable to coupled cluster singles and doubles. This builds on previous work performing similarity transformations with more general, two-body Jastrow-style correlators. The theory is tested on 2D lattices ranging from small systems into the thermodynamic limit and is compared to available reference data.

Practical calculations of quantum breakup cross sections

International Nuclear Information System (INIS)

McCurdy, C. W.; Rescigno, T. N.

2000-01-01

The Schroedinger equation is solved numerically using the method of exterior complex scaling for several models of the breakup of an atom by electron impact. Using the accurate wave functions thereby obtained for these model problems, several well-known integral expressions for quantum-mechanical breakup amplitudes are tested. It is shown that some formally correct integral expressions for the breakup amplitudes can yield numerically unstable or poorly convergent results. Calculations are presented for a case with simple exponential potentials and a case in which a metastable state of the target, analogous to an autoionizing state, can decay into the breakup channel. For cases involving only short-range (non-Coulomb) interactions, alternative expressions can be found that are stable in calculations of practical scale. (c) 2000 The American Physical Society

Angina Pectoris (Stable Angina)

Science.gov (United States)

... Peripheral Artery Disease Venous Thromboembolism Aortic Aneurysm More Angina Pectoris (Stable Angina) Updated:Aug 21,2017 You may have heard the term “angina pectoris” or “stable angina” in your doctor’s office, ...

An Unconditionally Stable Method for Solving the Acoustic Wave Equation

Directory of Open Access Journals (Sweden)

Zhi-Kai Fu

2015-01-01

Full Text Available An unconditionally stable method for solving the time-domain acoustic wave equation using Associated Hermit orthogonal functions is proposed. The second-order time derivatives in acoustic wave equation are expanded by these orthogonal basis functions. By applying Galerkin temporal testing procedure, the time variable can be eliminated from the calculations. The restriction of Courant-Friedrichs-Levy (CFL condition in selecting time step for analyzing thin layer can be avoided. Numerical results show the accuracy and the efficiency of the proposed method.

A simple analysis of the stable field profile in the supercritical TEA

DEFF Research Database (Denmark)

Jeppesen, Palle; Jeppsson, B.

1973-01-01

An analytical investigation supported by numerical calculations has been performed of the stable field profile in a supercritical diffusion-stabilized n-GaAs transferred electron amplifier (TEA) with ohmic contacts. In the numerical analysis, the field profile is determined by solving the steady......}{2}} (n_{0}L)^{frac{1}{2}}. Those results contribute to the understanding of the highn_{0}L-product switch and the stability of the supercritical TEA....

A guide for the laboratory information management system (LIMS) for light stable isotopes--Versions 7 and 8

Science.gov (United States)

Coplen, Tyler B.

2000-01-01

The reliability and accuracy of isotopic data can be improved by utilizing database software to (i) store information about samples, (ii) store the results of mass spectrometric isotope-ratio analyses of samples, (iii) calculate analytical results using standardized algorithms stored in a database, (iv) normalize stable isotopic data to international scales using isotopic reference materials, and (v) generate multi-sheet paper templates for convenient sample loading of automated mass-spectrometer sample preparation manifolds. Such a database program, the Laboratory Information Management System (LIMS) for Light Stable Isotopes, is presented herein. Major benefits of this system include (i) a dramatic improvement in quality assurance, (ii) an increase in laboratory efficiency, (iii) a reduction in workload due to the elimination or reduction of retyping of data by laboratory personnel, and (iv) a decrease in errors in data reported to sample submitters. Such a database provides a complete record of when and how often laboratory reference materials have been analyzed and provides a record of what correction factors have been used through time. It provides an audit trail for laboratories. LIMS for Light Stable Isotopes is available for both Microsoft Office 97 Professional and Microsoft Office 2000 Professional as versions 7 and 8, respectively. Both source code (mdb file) and precompiled executable files (mde) are available. Numerous improvements have been made for continuous flow isotopic analysis in this version (specifically 7.13 for Microsoft Access 97 and 8.13 for Microsoft Access 2000). It is much easier to import isotopic results from Finnigan ISODAT worksheets, even worksheets on which corrections for amount of sample (linearity corrections) have been added. The capability to determine blank corrections using isotope mass balance from analyses of elemental analyzer samples has been added. It is now possible to calculate and apply drift corrections to isotopic

Discrimination factors of carbon and nitrogen stable isotopes in meerkat feces

Directory of Open Access Journals (Sweden)

Shaena Montanari

2017-06-01

Full Text Available Stable isotope analysis of feces can provide a non-invasive method for tracking the dietary habits of nearly any mammalian species. While fecal samples are often collected for macroscopic and genetic study, stable isotope analysis can also be applied to expand the knowledge of species-specific dietary ecology. It is somewhat unclear how digestion changes the isotope ratios of animals’ diets, so more controlled diet studies are needed. To date, most diet-to-feces controlled stable isotope experiments have been performed on herbivores, so in this study I analyzed the carbon and nitrogen stable isotope ratios in the diet and feces of the meerkat (Suricata suricatta, a small omnivorous mammal. The carbon trophic discrimination factor between diet and feces (Δ13Cfeces is calculated to be 0.1 ± 1.5‰, which is not significantly different from zero, and in turn, not different than the dietary input. On the other hand, the nitrogen trophic discrimination factor (Δ15Nfeces is 1.5 ± 1.1‰, which is significantly different from zero, meaning it is different than the average dietary input. Based on data generated in this experiment and a review of the published literature, carbon isotopes of feces characterize diet, while nitrogen isotope ratios of feces are consistently higher than dietary inputs, meaning a discrimination factor needs to be taken into account. The carbon and nitrogen stable isotope values of feces are an excellent snapshot of diet that can be used in concert with other analytical methods to better understand ecology, diets, and habitat use of mammals.

Normal modified stable processes

DEFF Research Database (Denmark)

Barndorff-Nielsen, Ole Eiler; Shephard, N.

2002-01-01

Gaussian (NGIG) laws. The wider framework thus established provides, in particular, for added flexibility in the modelling of the dynamics of financial time series, of importance especially as regards OU based stochastic volatility models for equities. In the special case of the tempered stable OU process......This paper discusses two classes of distributions, and stochastic processes derived from them: modified stable (MS) laws and normal modified stable (NMS) laws. This extends corresponding results for the generalised inverse Gaussian (GIG) and generalised hyperbolic (GH) or normal generalised inverse...

Factors controlling stable isotope composition of European precipitation

International Nuclear Information System (INIS)

Rozanski, K.; Sonntag, C.; Muennich, K.O.

1982-01-01

The seasonal and spatial variations of stable isotope ratios in present day European precipitation are simulated with a simple multibox model of the mean west-east horizontal transport of the atmospheric water vapour across the European continent. Isotope fractionation during the formation of precipitation leads to an increasing depletion of heavy isotopes in the residual air moisture as it moves towards the centre of the continent. This isotopic depletion is partly compensated, particularly in summer, by evapotranspiration, which is assumed to transfer soil water into the atmosphere without isotope fractionation. The model estimates are based on horizontal water vapour flux data, varying seasonally between 88 and 130 kg m -1 s -1 for the Atlantic coast region, and on the monthly precipitation, evapotranspiration and surface air temperature data available for various locations in Europe. Both continental and seasonal temperature effects observed in the stable isotope composition of European precipitation are fairly well reproduced by the model. The calculations show that the isotopic composition of local precipitation is primarily controlled by regional scale processes, i.e. by the water vapour transport patterns into the continent, and by the average precipitation-evapotranspiration history of the air masses precipitating at a given place. Local parameters such as the surface and/or cloud base temperature or the amount of precipitation modify the isotope ratios only slightly. Implications of the model predictions for the interpretation of stable isotope ratios in earlier periods as they are preserved in ice cores and in groundwater are also discussed. (Auth.)

Yield calculations for a facility for short-lived nuclear beams

CERN Document Server

Jiang, C L; Gomes, I; Heinz, A M; Nolen, Jerry A; Rehm, K E; Savard, G; Schiffer, J P

2002-01-01

Yields for a broad range of radioactive nuclei produced by spallation reactions, neutron-induced fission, in-flight projectile fragmentation and in-flight fission have been calculated for beams of stable nuclei at energies of 100-1000 MeV/u. Calculations of cross-sections and yields, attenuation effects due to absorption, production from secondary reactions, and transport efficiencies for mass selection are discussed. Rare isotope yields as functions of bombarding energies for both reaccelerated and directly produced fast-fragmentation beams are presented. This information provides a foundation for a cost-effective design of a next generation rare isotope accelerator.

Direct Calculation of the Scattering Amplitude Without Partial Wave Analysis

Science.gov (United States)

Shertzer, J.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

Two new developments in scattering theory are reported. We show, in a practical way, how one can calculate the full scattering amplitude without invoking a partial wave expansion. First, the integral expression for the scattering amplitude f(theta) is simplified by an analytic integration over the azimuthal angle. Second, the full scattering wavefunction which appears in the integral expression for f(theta) is obtained by solving the Schrodinger equation with the finite element method (FEM). As an example, we calculate electron scattering from the Hartree potential. With minimal computational effort, we obtain accurate and stable results for the scattering amplitude.

Radioreceptor assay for benzodiazepines in biological fluids using a new dry and stable receptor preparation

International Nuclear Information System (INIS)

Lund, J.

1981-01-01

A method for determination of benzodiazepines in human blood, plasma, saliva and urine has been developed. The method is based upon the competition between 3 H-flunitrazepam and biologically active benzodiazepines in biological fluids for brain specific receptors, prepared in a stable, dry form and easy to handle. The pharmacological specificity for benzodiazepines of the dry stable receptor preparation is closely similar to that of fresh membrane-bound rat brain receptors. The method is specific for biologically active benzodiazepines; it is relatively rapid, sensitive and reproducible, and can be performed at room temperature. (author)

Innermost stable circular orbit of Kerr-MOG black hole

Energy Technology Data Exchange (ETDEWEB)

Lee, Hyun-Chul; Han, Yong-Jin [Soonchunhyang University, Department of Physics, Asan (Korea, Republic of)

2017-10-15

We study the innermost stable circular orbit (ISCO) of the metric of the Kerr black hole in modified gravity (Kerr-MOG black hole), which is one of the exact solutions of the field equation of modified gravity in the strong gravity regime. The Kerr-MOG metric is constructed; it is the commonly known Kerr metric in Boyer-Lindquist coordinates by adding a repulsive term like the Yukawa force, which is explained in quantum gravity. In this paper, we numerically calculate the circular orbit of a photon and the ISCO of a test particle of Kerr-MOG black holes. (orig.)

Uses of stable isotopes

International Nuclear Information System (INIS)

Axente, Damian

1998-01-01

The most important fields of stable isotope use with examples are presented. These are: 1. Isotope dilution analysis: trace analysis, measurements of volumes and masses; 2. Stable isotopes as tracers: transport phenomena, environmental studies, agricultural research, authentication of products and objects, archaeometry, studies of reaction mechanisms, structure and function determination of complex biological entities, studies of metabolism, breath test for diagnostic; 3. Isotope equilibrium effects: measurement of equilibrium effects, investigation of equilibrium conditions, mechanism of drug action, study of natural processes, water cycle, temperature measurements; 4. Stable isotope for advanced nuclear reactors: uranium nitride with 15 N as nuclear fuel, 157 Gd for reactor control. In spite of some difficulties of stable isotope use, particularly related to the analytical techniques, which are slow and expensive, the number of papers reporting on this subject is steadily growing as well as the number of scientific meetings organized by International Isotope Section and IAEA, Gordon Conferences, and regional meeting in Germany, France, etc. Stable isotope application development on large scale is determined by improving their production technologies as well as those of labeled compound and the analytical techniques. (author)

Contrasting HIV phylogenetic relationships and V3 loop protein similarities

Energy Technology Data Exchange (ETDEWEB)

Korber, B. (Los Alamos National Lab., NM (United States) Santa Fe Inst., NM (United States)); Myers, G. (Los Alamos National Lab., NM (United States))

1992-01-01

At least five distinct sequence subtypes of HIV-I can be identified from the major centers of the AMS pandemic. While it is too early to tell whether these subtypes are serologically or phenotypically similar or distinct in terms of properties such as pathogenicity and transmissibility, we can begin to investigate their potential for phenotypic divergence at the protein sequence level. Phylogenetic analysis of HIV DNA sequences is being widely used to examine lineages of different viral strains as they evolve and spread throughout the globe. We have identified five distinct HIV-1 subtypes (designated A-E), or clades, based on phylogenetic clustering patterns generated from genetic information from both the gag and envelope (env) genes from a spectrum of international isolates. Our initial observations concerning both HIV-1 and HIV-2 sequences indicate that conserved patterns in protein chemistry may indeed exist across distant lineages. Such patterns in V3 loop amino acid chemistry may be indicative of stable lineages or convergence within this highly variable, though functionally and immunologically critical, region. We think that there may be parallels between the apparently stable HIV-2 V3 lineage and the previously mentioned HIV-1 V3 loops which are very similar at the protein level despite being distant by cladistic analysis, and which do not possess the distinctive positively charged residues. Highly conserved V3 loop protein sequences are also encountered in SIVAGMs and CIVs (chimpanzee viral strains), which do not appear to be pathogenic in their wild-caught natural hosts.

Contrasting HIV phylogenetic relationships and V3 loop protein similarities

Energy Technology Data Exchange (ETDEWEB)

Korber, B. [Los Alamos National Lab., NM (United States)]|[Santa Fe Inst., NM (United States); Myers, G. [Los Alamos National Lab., NM (United States)

1992-12-31

At least five distinct sequence subtypes of HIV-I can be identified from the major centers of the AMS pandemic. While it is too early to tell whether these subtypes are serologically or phenotypically similar or distinct in terms of properties such as pathogenicity and transmissibility, we can begin to investigate their potential for phenotypic divergence at the protein sequence level. Phylogenetic analysis of HIV DNA sequences is being widely used to examine lineages of different viral strains as they evolve and spread throughout the globe. We have identified five distinct HIV-1 subtypes (designated A-E), or clades, based on phylogenetic clustering patterns generated from genetic information from both the gag and envelope (env) genes from a spectrum of international isolates. Our initial observations concerning both HIV-1 and HIV-2 sequences indicate that conserved patterns in protein chemistry may indeed exist across distant lineages. Such patterns in V3 loop amino acid chemistry may be indicative of stable lineages or convergence within this highly variable, though functionally and immunologically critical, region. We think that there may be parallels between the apparently stable HIV-2 V3 lineage and the previously mentioned HIV-1 V3 loops which are very similar at the protein level despite being distant by cladistic analysis, and which do not possess the distinctive positively charged residues. Highly conserved V3 loop protein sequences are also encountered in SIVAGMs and CIVs (chimpanzee viral strains), which do not appear to be pathogenic in their wild-caught natural hosts.

Carbon and Nitrogen Stable Isotope Values for Plants and Mammals in a Semi-Desert Region of Mongolia

Directory of Open Access Journals (Sweden)

Hannah Davie

2014-12-01

Full Text Available Little information exists on the isotopic signatures of plants and animals in Mongolia, limiting the application of stable isotope analysis to wildlife biology studies. Here we present plant and mammal carbon (δ 13 C and nitrogen (δ 15 N isotope values from a desert-steppe region of southeastern Mongolia. We analyzed 11 samples from 11 plant species and 93 samples from 24 mammal species across Ikh Nart Nature Reserve, and compared these numbers to isotope values reported from other areas of Mongolia. Our plant and mammal 13 C and 15 N values were similar to those from a similar arid steppe region and more enriched than those from less arid habitats. Habitat variation within and between study sites has an important infl uence on δ 13 C and δ 15 N variation. Our results supplement current knowledge of isotopic variation in Mongolia and provide a reference for future stable isotope research in Mongolia and similar Asian steppe ecosystems.

Stability, electronic and thermodynamic properties of aluminene from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Yuan, Junhui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Yu, Niannian [School of Science, Wuhan University of Technology, Wuhan, Hubei 430070 (China); Xue, Kanhao, E-mail: xkh@hust.edu.cn [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Miao, Xiangshui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)

2017-07-01

Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.

Stability, electronic and thermodynamic properties of aluminene from first-principles calculations

International Nuclear Information System (INIS)

Yuan, Junhui; Yu, Niannian; Xue, Kanhao; Miao, Xiangshui

2017-01-01

Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.

Induction of UV-resistant DNA replication in Escherichia coli: Induced stable DNA replication as an SOS function

International Nuclear Information System (INIS)

Kogoma, T.; Torrey, T.A.; Connaughton, M.J.

1979-01-01

The striking similarity between the treatments that induce SOS functions and those that result in stable DNA replication (continuous DNA replication in the absence of protein synthesis) prompted us to examine the possibility of stable DNA replication being a recA + lexA + -dependent SOS function. In addition to the treatments previously reported, ultraviolet (UV) irradiation or treatment with mitomycin C was also found to induce stable DNA replication. The thermal treatment of tif-1 strains did not result in detectable levels of stable DNA replication, but nalidixic acid readily induced the activity in these strains. The induction of stable DNA replication with nalidixic acid was severely suppressed in tif-1 lex A mutant strains. The inhibitory activity of lexA3 was negated by the presence of the spr-5l mutation, an intragenic suppressor of lexA3. Induced stable DNA replication was found to be considerably more resistant to UV irradiation than normal replication both in a uvr A6 strain and a uvr + strain. The UV-resistant replication occurred mostly in the semiconservative manner. The possible roles of stable DNA replication in repair of damaged DNA are discussed. (orig.)

Distinguishing the Chinese materia medica Tiepishihu from similar Dendrobium species of the same genus using histological and microscopic method.

Science.gov (United States)

Yu, Kun-Zi; Yan, Hua; Tai, Hai-Chuan; Zhang, Nan-Ping; Cheng, Xian-Long; Guo, Zeng-Xi; Ma, Shuang-Cheng; Wei, Feng

2017-07-01

The Chinese Materia Medica, Tiepishihu, used as a tonic for over one thousand years, is a well-known precious medicine in China. According to the Chinese Pharmacopoeia, its source is the species Dendrobium officinale Kimura et Migo, which is distinguished from other species in Dendrobium genus. However, these species from the same genus are similar with Tiepishihu and caused confusion in the market. To find a quick and simple method to distinguish Tiepishihu from other similar species, histologic and microscopic methods were combined together to investigate the transverse section of stem of Tiepishihu and other similar species. Phloroglucinol test solution with hydrochloric acid was used to reveal the lignified tissue by staining the transverse section of Tiepishihu and similar species. Results revealed the unique identification characteristics to distinguish Tiepishihu from similar species, which were difficult to distinguish by other methods. The identification characteristics of Tiepishihu include the cells of vascular bundle sheath were stained red, parenchyma cells were not stained red. What's more, other species can be distinguished from each other with microscopic and histological characteristics. These characteristics proved stable and can be easily observed by normal light microscopic examination. This method is rapid, accurate, stable, and inexpensive. © 2017 Wiley Periodicals, Inc.

Stable isotopes labelled compounds

International Nuclear Information System (INIS)

1982-09-01

The catalogue on stable isotopes labelled compounds offers deuterium, nitrogen-15, and multiply labelled compounds. It includes: (1) conditions of sale and delivery, (2) the application of stable isotopes, (3) technical information, (4) product specifications, and (5) the complete delivery programme

Stable Boundary Layer Issues

NARCIS (Netherlands)

Steeneveld, G.J.

2012-01-01

Understanding and prediction of the stable atmospheric boundary layer is a challenging task. Many physical processes are relevant in the stable boundary layer, i.e. turbulence, radiation, land surface coupling, orographic turbulent and gravity wave drag, and land surface heterogeneity. The

Failure Probability Calculation Method Using Kriging Metamodel-based Importance Sampling Method

Energy Technology Data Exchange (ETDEWEB)

Lee, Seunggyu [Korea Aerospace Research Institue, Daejeon (Korea, Republic of); Kim, Jae Hoon [Chungnam Nat’l Univ., Daejeon (Korea, Republic of)

2017-05-15

The kernel density was determined based on sampling points obtained in a Markov chain simulation and was assumed to be an important sampling function. A Kriging metamodel was constructed in more detail in the vicinity of a limit state. The failure probability was calculated based on importance sampling, which was performed for the Kriging metamodel. A pre-existing method was modified to obtain more sampling points for a kernel density in the vicinity of a limit state. A stable numerical method was proposed to find a parameter of the kernel density. To assess the completeness of the Kriging metamodel, the possibility of changes in the calculated failure probability due to the uncertainty of the Kriging metamodel was calculated.

PHOG analysis of self-similarity in aesthetic images

Science.gov (United States)

Amirshahi, Seyed Ali; Koch, Michael; Denzler, Joachim; Redies, Christoph

2012-03-01

In recent years, there have been efforts in defining the statistical properties of aesthetic photographs and artworks using computer vision techniques. However, it is still an open question how to distinguish aesthetic from non-aesthetic images with a high recognition rate. This is possibly because aesthetic perception is influenced also by a large number of cultural variables. Nevertheless, the search for statistical properties of aesthetic images has not been futile. For example, we have shown that the radially averaged power spectrum of monochrome artworks of Western and Eastern provenance falls off according to a power law with increasing spatial frequency (1/f2 characteristics). This finding implies that this particular subset of artworks possesses a Fourier power spectrum that is self-similar across different scales of spatial resolution. Other types of aesthetic images, such as cartoons, comics and mangas also display this type of self-similarity, as do photographs of complex natural scenes. Since the human visual system is adapted to encode images of natural scenes in a particular efficient way, we have argued that artists imitate these statistics in their artworks. In support of this notion, we presented results that artists portrait human faces with the self-similar Fourier statistics of complex natural scenes although real-world photographs of faces are not self-similar. In view of these previous findings, we investigated other statistical measures of self-similarity to characterize aesthetic and non-aesthetic images. In the present work, we propose a novel measure of self-similarity that is based on the Pyramid Histogram of Oriented Gradients (PHOG). For every image, we first calculate PHOG up to pyramid level 3. The similarity between the histograms of each section at a particular level is then calculated to the parent section at the previous level (or to the histogram at the ground level). The proposed approach is tested on datasets of aesthetic and

Analysis and Modeling of Time-Correlated Characteristics of Rainfall-Runoff Similarity in the Upstream Red River Basin

Directory of Open Access Journals (Sweden)

Xiuli Sang

2012-01-01

Full Text Available We constructed a similarity model (based on Euclidean distance between rainfall and runoff to study time-correlated characteristics of rainfall-runoff similar patterns in the upstream Red River Basin and presented a detailed evaluation of the time correlation of rainfall-runoff similarity. The rainfall-runoff similarity was used to determine the optimum similarity. The results showed that a time-correlated model was found to be capable of predicting the rainfall-runoff similarity in the upstream Red River Basin in a satisfactory way. Both noised and denoised time series by thresholding the wavelet coefficients were applied to verify the accuracy of model. And the corresponding optimum similar sets obtained as the equation solution conditions showed an interesting and stable trend. On the whole, the annual mean similarity presented a gradually rising trend, for quantitatively estimating comprehensive influence of climate change and of human activities on rainfall-runoff similarity.

Progresses in the stable isotope studies of microbial processes associated with wetland methane production

International Nuclear Information System (INIS)

Li Qing; Lin Guanghui

2013-01-01

Methane emissions from wetlands play a key role in regulating global atmospheric methane concentration, so better understanding of microbial processes for the methane emission in wetlands is critical for developing process models and reducing uncertainty in global methane emission inventory. In this review, we describe basic microbial processes for wetland methane production and then demonstrate how stable isotope fractionation and stable isotope probing can be used to investigate the mechanisms underlying different methanogenic pathways and to quantify microbial species involved in wetland methane production. When applying stable isotope technique to calculate contributions of different pathways to the total methane production in various wetlands, the technical challenge is how to determine isotopic fractionation factors for the acetate derived methane production and carbon dioxide derived methane production. Although the application of stable isotope probing techniques to study the actual functions of different microbial organisms to methane production process is significantly superior to the traditional molecular biology method, the combination of these two technologies will be crucial for direct linking of the microbial community and functional structure with the corresponding metabolic functions, and provide new ideas for future studies. (authors)

Self-similar solutions of the modified nonlinear schrodinger equation

International Nuclear Information System (INIS)

Kitaev, A.V.

1986-01-01

This paper considers a 2 x 2 matrix linear ordinary differential equation with large parameter t and irregular singular point of fourth order at infinity. The leading order of the monodromy data of this equation is calculated in terms of its coefficients. Isomonodromic deformations of the equation are self-similar solutions of the modified nonlinear Schrodinger equation, and therefore inversion of the expressions obtained for the monodromy data gives the leading term in the time-asymptotic behavior of the self-similar solution. The application of these results to the type IV Painleve equation is considered in detail

Comparison of Green-Kubo and nonequilibrium calculations of the self-diffusion constant of a Lennard-Jones fluid

International Nuclear Information System (INIS)

Erpenbeck, J.J.

1987-01-01

We apply the so-called ''synthetic'' nonequilibrium molecular-dynamics method to the calculation of the self-diffusion constant of a Lennard-Jones fluid at a number density of 0.85/σ 3 and a temperature of 1.08 epsilon-c/k/sub B/ (where epsilon-c and σ are the energy and length parameters of the potential and k/sub B/ is the Boltzmann constant). By comparing with the Green-Kubo calculation for the same state of the system and for the same number of particles, N, we find the latter calculation to yield more precise values of the self-diffusion constant for a given number of molecular-dynamics time steps. Even at small values of the diffusion current, a nontrivial time is needed for the nonequilibrium calculation to reach the steady state. For larger values of the driving force, the steady-state flow appears to become unstable and evidence of a secondary flow pattern is presented. The presence of these instabilities acts as a limit to the range of the driving force for which the steady-state method can be applied. With increasing N the range of stable values of the diffusion current density decreases. For the Green-Kubo calculations, the N dependence of the self-diffusion constant is found to be anomalous for N = 108, with the 1/N dependence only exhibited for at least 500 particles. The nonequilibrium results, while approximately independent of N for 108 and 500 particles, are found to have a similar anomalous N dependence when we extend the calculations to 1372 particles, thereby bringing the Green-Kubo and nonequilibrium results into agreement in the large-system limit

Design strategy for air-stable organic semiconductors applicable to high-performance field-effect transistors

Directory of Open Access Journals (Sweden)

Kazuo Takimiya et al

2007-01-01

Full Text Available Electronic structure of air-stable, high-performance organic field-effect transistor (OFET material, 2,7-dipheneyl[1]benzothieno[3,2-b]benzothiophene (DPh-BTBT, was discussed based on the molecular orbital calculations. It was suggested that the stability is originated from relatively low-lying HOMO level, despite the fact that the molecule contains highly π-extended aromatic core ([1]benzothieno[3,2-b]benzothiophene, BTBT with four fused aromatic rings like naphthacene. This is rationalized by the consideration that the BTBT core is not isoelectronic with naphthacene but with chrysene, a cata-condensed phene with four benzene rings. It is well known that the acene-type compound is unstable among its structural isomers with the same number of benzene rings. Therefore, polycyclic aromatic compounds possessing the phene-substructure will be good candidates for stable organic semiconductors. Considering synthetic easiness, we suggest that the BTBT-substructure is the molecular structure of choice for developing air-stable organic semiconductors.

Search for Heavy Stable Charged Particles at $\\sqrt{s}$ = 13 TeV Utilizing a Multivariate Approach

CERN Document Server

AUTHOR|(INSPIRE)INSPIRE-00375809

Heavy stable charged particles (HSCPs) have been searched for at the Large Hadron Collider since its initial data taking in 2010. The search for heavy stable charged particles provide a means of directly probing the new physics realm, as they produce a detector signature unlike any particle discovered to date. The goal of this research is to investigate an idea that was introduced in the later stages of 2010-2012 data taking period. Rather than utilizing the current tight selection on the calculated particle mass the hypothesis is that by incorporating a multivariate approach, specif- ically an artificial neural network, the remaining selection criteria could be loosened allowing for a greater signal acceptance while maintaining acceptable background rejection via the multivariate discriminator from the artificial neural network. The increase in signal acceptance and retention or increase in background rejection increases the discovery potential for HSCPs and as a secondary objective calculates improved limit...

DNA Methylation and Somatic Mutations Converge on the Cell Cycle and Define Similar Evolutionary Histories in Brain Tumors

NARCIS (Netherlands)

T. Mazor (Tali); A. Pankov (Aleksandr); B.E. Johnson (Brett E.); C. Hong (Chibo); E.G. Hamilton (Emily G.); R.J.A. Bell (Robert J.A.); I.V. Smirnov (Ivan V.); G.F. Reis (Gerald F.); J.J. Phillips (Joanna J.); M.J. Barnes (Michael); A. Idbaih (Ahmed); A. Alentorn (Agusti); J.J. Kloezeman (Jenneke); M.L.M. Lamfers (Martine); A.W. Bollen (Andrew W.); B.S. Taylor (Barry S.); A.M. Molinaro (Annette M.); A. Olshen (Adam); S.M. Chang (Susan); J.S. Song (Jun S.); J.F. Costello (Joseph F.)

2015-01-01

textabstractThe evolutionary history of tumor cell populations can be reconstructed from patterns of genetic alterations. In contrast to stable genetic events, epigenetic states are reversible and sensitive to the microenvironment, prompting the question whether epigenetic information can similarly

Numerical analysis of Markov-perfect equilibria with multiple stable steady states : A duopoly application with innovative firms

NARCIS (Netherlands)

Dawid, H.; Keoula, M.Y.; Kort, Peter

2017-01-01

This paper presents a numerical method for the characterization of Markov-perfect equilibria of symmetric differential games exhibiting coexisting stable steady states. The method relying on the calculation of ‘local value functions’ through collocation in overlapping parts of the state space, is

Structure of acid-stable carmine.

Science.gov (United States)

Sugimoto, Naoki; Kawasaki, Yoko; Sato, Kyoko; Aoki, Hiromitsu; Ichi, Takahito; Koda, Takatoshi; Yamazaki, Takeshi; Maitani, Tamio

2002-02-01

Acid-stable carmine has recently been distributed in the U.S. market because of its good acid stability, but it is not permitted in Japan. We analyzed and determined the structure of the major pigment in acid-stable carmine, in order to establish an analytical method for it. Carminic acid was transformed into a different type of pigment, named acid-stable carmine, through amination when heated in ammonia solution. The features of the structure were clarified using a model compound, purpurin, in which the orientation of hydroxyl groups on the A ring of the anthraquinone skeleton is the same as that of carminic acid. By spectroscopic means and the synthesis of acid-stable carmine and purpurin derivatives, the structure of the major pigment in acid-stable carmine was established as 4-aminocarminic acid, a novel compound.

Are calanco landforms similar to river basins?

Science.gov (United States)

Caraballo-Arias, N A; Ferro, V

2017-12-15

In the past badlands have been often considered as ideal field laboratories for studying landscape evolution because of their geometrical similarity to larger fluvial systems. For a given hydrological process, no scientific proof exists that badlands can be considered a model of river basin prototypes. In this paper the measurements carried out on 45 Sicilian calanchi, a type of badlands that appears as a small-scale hydrographic unit, are used to establish their morphological similarity with river systems whose data are available in the literature. At first the geomorphological similarity is studied by identifying the dimensionless groups, which can assume the same value or a scaled one in a fixed ratio, representing drainage basin shape, stream network and relief properties. Then, for each property, the dimensionless groups are calculated for the investigated calanchi and the river basins and their corresponding scale ratio is evaluated. The applicability of Hack's, Horton's and Melton's laws for establishing similarity criteria is also tested. The developed analysis allows to conclude that a quantitative morphological similarity between calanco landforms and river basins can be established using commonly applied dimensionless groups. In particular, the analysis showed that i) calanchi and river basins have a geometrically similar shape respect to the parameters Rf and Re with a scale factor close to 1, ii) calanchi and river basins are similar respect to the bifurcation and length ratios (λ=1), iii) for the investigated calanchi the Melton number assumes values less than that (0.694) corresponding to the river case and a scale ratio ranging from 0.52 and 0.78 can be used, iv) calanchi and river basins have similar mean relief ratio values (λ=1.13) and v) calanchi present active geomorphic processes and therefore fall in a more juvenile stage with respect to river basins. Copyright © 2017 Elsevier B.V. All rights reserved.

Helical tomotherapy shielding calculation for an existing LINAC treatment room: sample calculation and cautions

International Nuclear Information System (INIS)

Wu Chuan; Guo Fanqing; Purdy, James A

2006-01-01

This paper reports a step-by-step shielding calculation recipe for a helical tomotherapy unit (TomoTherapy Inc., Madison, WI, USA), recently installed in an existing Varian 600C treatment room. Both primary and secondary radiations (leakage and scatter) are explicitly considered. A typical patient load is assumed. Use factor is calculated based on an analytical formula derived from the tomotherapy rotational beam delivery geometry. Leakage and scatter are included in the calculation based on corresponding measurement data as documented by TomoTherapy Inc. Our calculation result shows that, except for a small area by the therapists' console, most of the existing Varian 600C shielding is sufficient for the new tomotherapy unit. This work cautions other institutions facing the similar situation, where an HT unit is considered for an existing LINAC treatment room, more secondary shielding might be considered at some locations, due to the significantly increased secondary shielding requirement by HT. (note)

Applications of stable isotopes

International Nuclear Information System (INIS)

Letolle, R.; Mariotti, A.; Bariac, T.

1991-06-01

This report reviews the historical background and the properties of stable isotopes, the methods used for their measurement (mass spectrometry and others), the present technics for isotope enrichment and separation, and at last the various present and foreseeable application (in nuclear energy, physical and chemical research, materials industry and research; tracing in industrial, medical and agronomical tests; the use of natural isotope variations for environmental studies, agronomy, natural resources appraising: water, minerals, energy). Some new possibilities in the use of stable isotope are offered. A last chapter gives the present state and forecast development of stable isotope uses in France and Europe

Stable Isotopes (O, H, and S) in the Muteh Gold Deposit, Golpaygan Area, Iran

International Nuclear Information System (INIS)

Abdollahi, M. J.; Karimpour, M. H.; Kheradmand, A.; Zarasvandi, A. R.

2009-01-01

The Muteh gold district with nine gold deposits is located in the Sanandaj-Sirjan metamorphic zone. Gold mineralization occurs in a pre-Permian complex which mainly consists of green schists, meta-volcanics, and gneiss rocks. Shear zones are the host of gold mineralization. Gold paragenesis minerals include pyrite, chalcopyrite, pyrrhotite, and secondary minerals. Pyrites occur as pre-, syn-, and post-metamorphism minerals. To determine the source of the ore-bearing fluids, fifty samples were selected for petrographical and stable isotope studies. The mean values of 12.4 per mille , and -42 per mille for δ 18 O and δD isotopes, respectively, and a mean value of 7.75 per mille of calculated fractionation factors for δ 18 O H 2 O, from quartz veins indicate that metamorphic host rocks are the most important source for the fluids and gold mineralization. Three generations of pyrite can be distinguished showing a wide range of δ 34 S. Gold mineralization is closely associated with intense hydrothermal alteration along the ductile shear zones. The characteristics of the gold mineralization in the study area are similar to those of orogenic gold deposits elsewhere

Calculation of magnetic hyperfine constants

International Nuclear Information System (INIS)

Bufaical, R.F.; Maffeo, B.; Brandi, H.S.

1975-01-01

The magnetic hyperfine constants of the V sub(K) center in CaF 2 , SrF 2 and BaF 2 have been calculated assuming a phenomenological model, based on the F 2 - 'central molucule', to describe the wavefunction of the defect. Calculations have shown that introduction of a small degree of covalence, between this central molecule and neighboring ions, is necessary to improve the electronic structure description of the defect. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of the ions neighboring the central molecule; these relaxations have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different theoretical methods have been used

Applications of thermodynamic calculations to Mg alloy design: Mg-Sn based alloy development

International Nuclear Information System (INIS)

Jung, In-Ho; Park, Woo-Jin; Ahn, Sang Ho; Kang, Dae Hoon; Kim, Nack J.

2007-01-01

Recently an Mg-Sn based alloy system has been investigated actively in order to develop new magnesium alloys which have a stable structure and good mechanical properties at high temperatures. Thermodynamic modeling of the Mg-Al-Mn-Sb-Si-Sn-Zn system was performed based on available thermodynamic, phase equilibria and phase diagram data. Using the optimized database, the phase relationships of the Mg-Sn-Al-Zn alloys with additions of Si and Sb were calculated and compared with their experimental microstructures. It is shown that the calculated results are in good agreement with experimental microstructures, which proves the applicability of thermodynamic calculations for new Mg alloy design. All calculations were performed using FactSage thermochemical software. (orig.)

Cosmic-ray-produced stable nuclides: various production rates and their implications

International Nuclear Information System (INIS)

Reedy, R.C.

1981-01-01

The rates for a number of reactions producing certain stable nuclides, such as 3 He and 4 He, and fission in the moon are calculated for galactic-cosmic-ray particles and for solar protons. Solar-proton-induced reactions with bromine usually are not an important source of cosmogenic Kr isotopes. The 130 Ba(n,p) reaction cannot account for the undercalculation of 130 Xe production rates. Calculated production rates of 15 N, 13 C, and 2 H agree fairly well with rates inferred from measured excesses of these isotopes in samples with long exposure ages. Cosmic-ray-induced fission of U and Th can produce significant amounts of fission tracks and of 86 Kr, 134 Xe, and 136 Xe, especially in samples with long exposures to cosmic-ray particles

Determining metal assimilation efficiency in aquatic invertebrates using enriched stable metal isotope tracers

International Nuclear Information System (INIS)

Croteau, Marie-Noele; Luoma, Samuel N.; Pellet, Bastien

2007-01-01

We employ a novel approach that combines pulse-chase feeding and multi-labelled stable isotopes to determine gut passage time (GPT), gut retention time (GRT), food ingestion rate (IR) and assimilation efficiency (AE) of three trace elements for a freshwater gastropod. Lettuce isotopically enriched in 53 Cr, 65 Cu and 106 Cd was fed for 2 h to Lymnaea stagnalis. The release of tracers in feces and water was monitored for 48 h, during which unlabelled lettuce was provided ad libidum. The first defecation of 53 Cr occurred after 5 h of depuration (GPT), whereas 90% of the ingested 53 Cr was recovered in the feces after 22.5 h of depuration (GRT). 53 Chromium was not significantly accumulated in the soft tissues upon exposure. In contrast, 65 Cu and 106 Cd assimilation was detectable for most experimental snails, i.e., 65/63 Cu and 106/114 Cd ratios in exposed snails were higher than those for controls. Food IR during the labelled feeding phase was 0.16 ± 0.07 g g -1 d -1 . IR was inferred from the amount of 53 Cr egested in the feces during depuration and the concentration of 53 Cr in the labelled lettuce. Assimilation efficiencies (±95% CI) determined using mass balance calculations were 84 ± 4% for Cu and 85 ± 3% for Cd. The ratio method yields similar AE estimates. Expanding the application of this novel stable isotope tracer technique to other metals in a wide variety of species will provide unique opportunities to evaluate the interplay between digestive processes and dietary influx of metals. Understanding the biological processes that modulate dietborne metal uptake is crucial to assess the toxicity of dietborne metals

Mean-Field and RPA Approaches to Stable and Unstable Nuclei with Semi-Realistic Interactions

International Nuclear Information System (INIS)

Nakada, H.

2009-01-01

We have developed semi-realistic NN interactions [1, 2] by modifying the M3Y interaction [3] that was derived from the G-matrix. The modification has been made so that the saturation and the spin-orbit splittings could be reproduced. The new interactions contain finite-range LS and tensor channels, as well as Yukawa-form central channels having reasonable spin and spin-isospin properties. In order to handle such interactions in practical calculations, we have also developed new numerical methods [4-6], in which the Gaussian expansion method [7] is applied. It is noted that these methods have the following advantages: (i) we can efficiently describe the energy-dependent asymptotics of single-particle wave functions at large r, as is typified in arguments on the deformed neutron halo in 4 0M g [6], (ii) we can handle various effective interactions, including those having non-locality, and (iii) a single-set of bases is applicable to wide mass range of nuclei and therefore is suitable to systematic calculations. Thereby we can implement Hartree-Fock, Hartree-Fock-Bogolyubov and RPA calculations for stable and unstable nuclei with the semi-realistic interactions. It will be shown first that the new interactions have desired characters for the nuclear matter and for the single- and double-closed nuclei. We shall particularly focus on roles of specific channels of the effective interaction, by studying (a) 'shell evolution' and role of the spin-isospin and the tensor channels [8] in stable and unstable nuclei, and (b) the magnetic response in a fully self-consistent RPA calculation with the tensor force [9]. All these properties seem to be simultaneously and naturally reproduced by the semi-realistic interactions. Thus the semi-realistic interactions are promising in describing various aspects of nuclear structure from stable to drip-line nuclei, in a self-consistent and unified manner. Since they have microscopic origin with minimal modification, we can expect high

Quasi-equilibria and plasma chemical similarity in non-isothermal reactive plasmas

International Nuclear Information System (INIS)

Miethke, F.; Rutscher, A.; Wagner, H.E.

2000-01-01

With regard to the output of stable products the mode of operation of non-isothermal plasma chemical reactors shows physical and chemical well defined states, which represent limiting cases and may be interpreted as quasi-equilibrium states. The occurrence and the characteristics of these states, meanwhile more than once observed and described, are demonstrated by an instructive model reaction. Within the frame of the so-called Macroscopic Kinetics a central parameter is dominating the reactor operation. This result may be generalized and is linked up to the application of similarity principles for the reactor operation. After the general formulation of such principles, starting from the balance equations of particles and energy, a dimensionless similarity parameter is formulated, characterizing the composition of the effluent gas of the reactor. The applicability of this parameter is demonstrated by experimental examples. (Authors)

Stable tokamak access to, and operation in, the second stability region

International Nuclear Information System (INIS)

Todd, A.M.M.; Phillips, M.; Chance, M.; Manickam, J.; Pomphrey, N.

1987-01-01

Tokamak operation in the second region of stability to ballooning modes holds promise for economic fusion reactor operation. A second region of stability is confirmed to exist in circular tokamaks with a nearby conducting shell for εβθ>1. In addition to ballooning instabilities with high toroidal mode number n, the presence of low n internal pressure driven modes in low shear regions can pose serious problems for access to the second region. These modes can be present even when ballooning modes with infinite n are stable. Stable access to the second region for all ideal modes is demonstrated with current profile programming that raises the safety factor on axis above unity. Present calculations for stable access using this technique indicate that a conducting wall must be located close to the plasma edge (∼ 0.1 plasma minor radius) to stabilize external modes. Pressure and shear profile optimization could be used to increase this value. As εβθ is raised above unity, the stabilizing wall can be moved to progressively larger major radii. This behaviour is attributed to restabilization of the pressure driven component in low n kink modes. Finally, it is shown that poloidally discontinuous conducting structures are effective in stabilizing low n external kink modes. (author)

Uptake and translocation of 109Cd and stable Cd within tobacco plants (Nicotiana sylvestris)

International Nuclear Information System (INIS)

Rosén, K.; Eriksson, J.; Vinichuk, M.

2012-01-01

The availability, uptake, and translocation of recently added ( 109 Cd) and naturally occurring (stable) soil Cd within tobacco plants were compared. 109 Cd was added to soil in two treatments, A (0.25 MBq kg soil −1 DW) and B (eight-fold dose): stable Cd was measured in both treatments. Both the added and the stable Cd were higher in leaves and reproductive structures of the plant than in stalks and roots. The uptake of 109 Cd was 5.3 kBq plant −1 for treatment A and 36.7 kBq plant −1 for treatment B, and about 26 μg plant −1 for stable Cd. Leaves of the tobacco plants accumulated 40–45% of the total 109 Cd and about 50% of total stable Cd taken up by the plant. Cadmium concentration in the plant was three times higher than in roots and two times higher than the concentration in soil: the concentration in roots was lower than in the soil. - Capsule: The availability, uptake, and translocation of recently added ( 109 Cd) and naturally occurring (stable) soil Cd within tobacco plants (Nicotiana sylvestris) were investigated. - Highlights: ► We compared uptake recently added and naturally occurring soil Cd by tobacco plant. ► Both added and stable Cd display similar uptake and translocation within the plant. ► Leaves of tobacco plants accumulate half of the total Cd taken up by the plant. ► Recently added 109 Cd to soil is more available than naturally occurring cadmium.

Fast calculation of the dominant modes of the laser cavites

International Nuclear Information System (INIS)

Gerck, E.

1978-11-01

The viability and efficiency of the eigenvalue translation method to calculate the dominant eigensolution in stable or unstable interferometers is shown. This is an interative method which is of the order of a hundred times faster than Fox and Li Method and ten times faster, in general, than global diagonalization methods, due to the efficient use of the information that the eigenvalues have moduli smaller than one, for finite mirrors. This application in optics is original and results in a simpler and less time consuming method than the usual ones. The eigenvalues and eigenvectors of various stable and unstable cavities, alignned or misalignned, are presented together with comparisons with the Fox and Li Method and global methods based on matrix diagonalization [pt

Development of Structure and Characteristics Calculation Method for Γ- shape Rope Vubration Insulator

Science.gov (United States)

Ponomarev, Yury K.

2018-01-01

The paper gives an overview of the design of rope vibration insulators with elastic elements of the center line in the form of two rectilinear and one curved section. In the Russian-language scientific literature this type of rope vibration insulators received a stable name "Γ-shaped vibration insulators” by analogy with the shape of the letter “gamma-Γ" of the Greek alphabet and a similar letter of the Cyrillic alphabet. Despite the wide using of vibration insulators designed on this shape, its mathematical calculation model has not yet been developed. In this connection, in this article, for the first time on the basis of the “Method of Forces” and the “Mohr Method”, an analytical technique has been developed for calculating the characteristics of a vibration insulator in the directions of three mutually perpendicular axes. In addition, the article proposes a new structure of a vibration insulator consisting of several tiers of elements of this type, based on a new patented technology for manufacturing quasi-continuous woven rings, proposed by the author of this article in co-authorship with several employees of the Samara National Research University. Simple formulas are obtained for calculating the load characteristics in three mutually perpendicular directions. This makes it possible to calculate the corresponding stiffness and natural frequencies of mechanical vibration protection systems. It is established that the stiffness of the vibration insulator in the direction of the Z axis is greater than the stiffness in the X and Y axis directions, however, if a vibration insulator with equal, or close to equal characteristics, along three axes has to be designed according to the technical specification, this can be done by selecting the parameters included in the equations given in article for load characteristics.

Vibrational studies of Thyroxine hormone: Comparative study with quantum chemical calculations

Science.gov (United States)

Borah, Mukunda Madhab; Devi, Th. Gomti

2017-11-01

The FTIR and Raman techniques have been used to record spectra of Thyroxine. The stable geometrical parameters and vibrational wave numbers were calculated based on potential energy distribution (PED) using vibrational energy distribution analysis (VEDA) program. The vibrational energies are assigned to monomer, chain dimer and cyclic dimers of this molecule using the basis set B3LYP/LANL2DZ. The computational scaled frequencies are in good agreements with the experimental results. The study is extended to calculate the HOMO-LUMO energy gap, Molecular Electrostatic Potential (MEP) surface, hardness (η), chemical potential (μ), Global electrophilicity index (ω) and different thermo dynamical properties of Thyroxine in different states. The calculated HOMO-LUMO energies show the charge transfer occurs within the molecule. The calculated Natural bond orbital (NBO) analysis confirms the presence of intra-molecular charge transfer as well as the hydrogen bonding interaction.

Neutronic parameters calculations of a CANDU reactor

International Nuclear Information System (INIS)

Zamonsky, G.

1991-01-01

Neutronic calculations that reproduce in a simplified way some aspects of a CANDU reactor design were performed. Starting from some prefixed reactor parameters, cylindrical and uniform iron adjuster rods were designed. An appropriate refueling scheme was established, defininig in a 2 zones model their dimensions and exit burnups. The calculations have been done using the codes WIMS-D4 (cell), SNOD (reactivity device simulations) and PUMA (reactor). Comparing with similar calculations done with codes and models usually employed for CANDU design, it is concluded that the models and methods used are appropriate. (Author) [es

Water adsorption on O(2x2)/Ru(0001) from STM experiments andfirst-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Cabrera-Sanfelix, P.; Sanchez-Portal, D.; Mugarza, A.; Shimizu,T.K.; Salmeron, M.; Arnau, A.

2007-10-15

We present a combined theoretical and experimental study of water adsorption on Ru(0001) pre-covered with 0.25 monolayers (ML) of oxygen forming a (2 x 2) structure. Several structures were analyzed by means of Density Functional Theory calculations for which STM simulations were performed and compared with experimental data. Up to 0.25 monolayers the molecules bind to the exposed Ru atoms of the 2 x 2 unit cell via the lone pair orbitals. The molecular plane is almost parallel to the surface with its H atoms pointing towards the chemisorbed O atoms of the 2 x 2 unit cell forming hydrogen bonds. The existence of these additional hydrogen bonds increases the adsorption energy of the water molecule to approximately 616 meV, which is {approx}220 meV more stable than on the clean Ru(0001) surface with a similar configuration. The binding energy shows only a weak dependence on water coverage, with a shallow minimum for a row structure at 0.125 ML. This is consistent with the STM experiments that show a tendency of the molecules to form linear rows at intermediate coverage. Our calculations also suggest the possible formation of water dimers near 0.25 ML.

Ab initio calculations of the structure and conformations of 2,6-lutidine

International Nuclear Information System (INIS)

Porcinai, S.; Foggi, P.

1997-01-01

Ab initio molecular orbital calculations at the SCF level have been utilized to determine the structure and the electronic and vibrational properties of 2,6-lutidine (2,6-dimethyl-pyridine) in the ground electronic state. Comparative calculations have been performed on the parent molecule pyridine. Structure predictions of both molecules are in good agreement with experimental data. The most stable rotamer of 2,6-lutidine has C 2v symmetry with one of the C-H bonds of both the methyl groups lying in the plane of the aromatic ring and pointing in the opposite direction with respect to the nitrogen atom. This is the result of the minimization of competing forces deriving from steric hindrance and electronic stabilization. Vibrational frequencies and oscillator strengths of C-H stretching in the fundamental region have been calculated for both pyridine and the most stable rotamer of 2,6-lutidine and compared to IR data obtained in pure liquids. The potential energy profile of the C-H bond in and out of plane has been investigated up to five times the equilibrium distance. The trend of the potential curves confirms that the C-H bond lying in the plane has a higher dissociation energy than that of the in-plane bonds as observed in experiments on vibrational overtones

Locating structures and evolution pathways of reconstructed rutile TiO2(011) using genetic algorithm aided density functional theory calculations.

Science.gov (United States)

Ding, Pan; Gong, Xue-Qing

2016-05-01

Titanium dioxide (TiO2) is an important metal oxide that has been used in many different applications. TiO2 has also been widely employed as a model system to study basic processes and reactions in surface chemistry and heterogeneous catalysis. In this work, we investigated the (011) surface of rutile TiO2 by focusing on its reconstruction. Density functional theory calculations aided by a genetic algorithm based optimization scheme were performed to extensively sample the potential energy surfaces of reconstructed rutile TiO2 structures that obey (2 × 1) periodicity. A lot of stable surface configurations were located, including the global-minimum configuration that was proposed previously. The wide variety of surface structures determined through the calculations performed in this work provide insight into the relationship between the atomic configuration of a surface and its stability. More importantly, several analytical schemes were proposed and tested to gauge the differences and similarities among various surface structures, aiding the construction of the complete pathway for the reconstruction process.

Three-dimensional TDHF calculation for reactions of unstable nuclei

Energy Technology Data Exchange (ETDEWEB)

Kim, Ka-Hae; Otsuka, Takaharu [Tokyo Univ. (Japan). Dept. of Physics; Bonche, P.

1998-07-01

The fusion is studied for reactions between a stable and an unstable nuclei with neutron skin. The reactions {sup 16,28}O+{sup 40}Ca and {sup 16}O+{sup 16,28}O are taken as examples, and the three-dimensional time-dependent Hartree-Fock method with the full Skyrme interaction is used. It is confirmed that the fusion cross section in low-energy region is sensitive to the interaction used in the calculation. (author)

Isothermal Multiphase Flash Calculations with the PC-SAFT Equation of State

International Nuclear Information System (INIS)

Justo-Garcia, Daimler N.; Garcia-Sanchez, Fernando; Romero-Martinez, Ascencion

2008-01-01

A computational approach for isothermal multiphase flash calculations with the PC-SAFT (Perturbed-Chain Statistical Associating Fluid Theory) equation of state is presented. In the framework of the study of fluid phase equilibria of multicomponent systems, the general multiphase problem is the single most important calculation which consists of finding the correct number and types of phases and their corresponding equilibrium compositions such that the Gibbs energy of the system is a minimum. For solving this problem, the system Gibbs energy was minimized using a rigorous method for thermodynamic stability analysis to find the most stable state of the system. The efficiency and reliability of the approach to predict and calculate complex phase equilibria are illustrated by solving three typical problems encountered in the petroleum industry

Review on theoretical calculation of the magnetite solubility

International Nuclear Information System (INIS)

Kim, Myongjin; Kim, Hongpyo

2013-01-01

FAC is influenced by many factors such as water chemistry (temperature, pH, dissolved oxygen (D. O.) in a solution, and etc.), chemical composition of carbon steel, and fluid dynamics. Magnetite is formed at the inner surface of carbon steel, and protects the integrity of pipes from the damage. The magnetite has a stable state at each equilibrium condition, so that it can be dissolved into the fluid under conditions that satisfy the equilibrium state. The iron solubility can be calculated by considering the reaction equilibrium constants for prediction of a change in the magnetite layer. In the present work, studies on the magnetite solubility were reviewed for the theoretical calculation of magnetite, and iron solubility data were compared to find the proper solubility values of each study

Population Games, Stable Games, and Passivity

Directory of Open Access Journals (Sweden)

Michael J. Fox

2013-10-01

Full Text Available The class of “stable games”, introduced by Hofbauer and Sandholm in 2009, has the attractive property of admitting global convergence to equilibria under many evolutionary dynamics. We show that stable games can be identified as a special case of the feedback-system-theoretic notion of a “passive” dynamical system. Motivated by this observation, we develop a notion of passivity for evolutionary dynamics that complements the definition of the class of stable games. Since interconnections of passive dynamical systems exhibit stable behavior, we can make conclusions about passive evolutionary dynamics coupled with stable games. We show how established evolutionary dynamics qualify as passive dynamical systems. Moreover, we exploit the flexibility of the definition of passive dynamical systems to analyze generalizations of stable games and evolutionary dynamics that include forecasting heuristics as well as certain games with memory.

Neurocognitive function in clinically stable individuals with long-term bipolar I disorder: Comparisons with schizophrenia patients and controls

Directory of Open Access Journals (Sweden)

Pei-Yun Lin

2017-05-01

Full Text Available This study compared the levels of the five domains of neurocognitive function—executive function, attention, memory, verbal comprehension, and perceptual organization—among clinically stable individuals with long-term bipolar I disorder, individuals with long-term schizophrenia, and a group of controls. We recruited a total of 93 clinically stable individuals with bipolar I disorder, 94 individuals with schizophrenia, and 106 controls in this study. Their neurocognitive function was measured using a series of neurocognitive function tests: the Wechsler Adult Intelligence Scale—Third Edition (WAIS-III, Line Cancellation Test, Visual Form Discrimination, Controlled Oral Word Association Test, Wisconsin Card Sorting Test, Continuous Performance Task, and Wechsler Memory Scale—Third Edition. Neurocognitive function was compared among the three groups through a multivariate analysis of variance. The results indicated that when the effect of age was controlled, clinically stable individuals with bipolar I disorder and those with schizophrenia demonstrated poor neurocognitive function on all tests except for the WAIS-III Similarity and Information and the Line Cancellation Test. The individuals with bipolar I disorder had similar levels of neurocognitive function compared with the schizophrenia group, but higher levels of neurocognitive function on the WAIS-III Comprehension, Controlled Oral Word Association Test, and Wechsler Memory Scale—Third Edition Auditory Immediate and Delayed Index and Visual Immediate and Delayed Index. The conclusions of this study suggest that compared with controls, individuals with long-term bipolar I disorder and those with long-term schizophrenia have poorer neurocognitive function, even when clinically stable. Individuals with long-term bipolar I disorder and those with long-term schizophrenia have similar levels of deficits in several domains of neurocognitive function.

Stable-isotope analysis of a deep-sea benthic-fish assemblage: evidence of an enriched benthic food web.

Science.gov (United States)

Boyle, M D; Ebert, D A; Cailliet, G M

2012-04-01

In this study, fishes and invertebrates collected from the continental slope (1000 m) of the eastern North Pacific Ocean were analysed using stable-isotope analysis (SIA). Resulting trophic positions (T(P) ) were compared to known diets and habitats from the literature. Dual isotope plots indicated that most species groups (invertebrates and fishes) sorted as expected along the carbon and nitrogen axes, with less intraspecific variability than interspecific variability. Results also indicated an isotopically distinct benthic and pelagic food web, as the benthic food web was more enriched in both nitrogen and carbon isotopes. Trophic positions from SIA supported this finding, resulting in the assignment of fishes to different trophic positions from those expected based on published dietary information. These differences can be explained largely by the habitat of the prey and the percentage of the diet that was scavenged. A mixing model estimated dietary contributions of prey similar to those of the known diet of Bathyraja trachura from stomach-content analysis (SCA). Linear regressions indicated that trophic positions calculated from SIA and SCA, when plotted against B. trachura total length for 32 individuals, exhibited similar variation and patterns. Only the T(P) from SCA yielded significant results (stomach content: P 0·05). © 2012 The Authors. Journal of Fish Biology © 2012 The Fisheries Society of the British Isles.

Stable Alfven-wave dynamo action in the reversed-field pinch

International Nuclear Information System (INIS)

Werley, K.A.

1984-01-01

Previous theoretical work has suggested that Alfven waves may be related to the anomalous toroidal magnetic flux generation and extended (over classical expectations) discharge times observed in the reversed-field pinch. This thesis examines the dynamo action of stable Alfven waves as a means of generating toroidal flux. Recent advances in linear resistive MHD stability analysis are used to calculate the quasi-linear dynamo mean electromotive force of Alfven waves. This emf is incorporated into a one-dimensional transport and mean-field evolution code. The changing equilibrium is then fed back to the stability code to complete a computational framework that self-consistently evaluates a dynamic plasma dynamo. This technique is readily extendable to other plasmas in which dynamic stable model action is of interest. Such plasmas include Alfven wave current-drive and plasma heating for fusion devices, as well as astrophysical and geophysical dynamo systems. This study also contains extensive studies of resistive Alfven wave properties. This includes behavior versus spectral location, magnetic Reynolds number and wave number

Retrospective Dose Reconstruction for Medical Diagnostic X Ray Workers in China using Stable Chromosome Aberrations

International Nuclear Information System (INIS)

Wang, Q.; Liu, P.; Li, J.; Wang, Q.; Tang, S.; Sun, M.; Wang, L.; Aoyama, T.; Sugahara, T.

1998-01-01

The chromosome rearrangements in medical diagnostic X ray workers were analysed using the G-banding technique and evaluated collectively in accumulated doses. A total of 9102 metaphase spreads from 84 medical diagnostic X ray workers and 17 controls were scored. The results showed that: (1) the frequencies of translocation, stable chromosome aberration and total aberration in X ray workers were significantly higher than those of controls (P < 0.05 γ 0.005), unstable chromosome aberrations (including dicentric and acentric aberration) tended upwards; (2) the main aberration in stable aberrations was reciprocal translocation; (3) the stable aberration predominated strikingly in total aberrations. The medical diagnostic X ray workers were divided into three groups according to calendar year of entry. The data showed that the frequencies of translocation, stable aberration and total aberration increased with earlier year of entry, especially in two groups who started working before 1970. According to the equation recommended by Straume et al, linear coefficient (α) in the linear quadratic model provided by Fernandez's experiment, their collective accumulation doses calculated were 0.53, 0.26 and 0.06 Gy for calendar year of entry before 1960, 1960-1969, and after 1970, in X ray workers, respectively. (author)

Calculation of the 13C NMR shieldings of the C0 2 complexes of aluminosilicates

Science.gov (United States)

Tossell, J. A.

1995-04-01

13C NMR shieldings have been calculated using the random-phase-approximation, localized-orbital local-origins version of ab initio coupled Hartree-Fuck perturbation theory for CO 2 and and for several complexes formed by the reaction of CO 2 with molecular models for aluminosilicate glasses, H 3TOT'H3 3-n, T,T' = Si,Al. Two isomeric forms of the CO 2-aluminosilicate complexes have been considered: (1) "CO 2-like" complexes, in which the CO 2 group is bound through carbon to a bridging oxygen and (2) "CO 3-like" complexes, in which two oxygens of a central CO 3 group form bridging bonds to the two TH 3 groups. The CO 2-like isomer of CO 2-H 3SiOSiH 3 is quite weakly bonded and its 13C isotropic NMR shielding is almost identical to that in free CO 2. As Si is progressively replaced by Al in the - H terminated aluminosilicate model, the CO 2-like isomers show increasing distortion from the free CO 2 geometry and their 13C NMR shieldings decrease uniformly. The calculated 13C shielding value for H 3AlO(CO 2)AlH 3-2 is only about 6 ppm larger than that calculated for point charge stabilized CO 3-2. However, for a geometry of H 3SiO(CO 2) AlH 3-1, in which the bridging oxygen to C bond length has been artificially increased to that found in the - OH terminated cluster (OH) 3SiO(CO 2)Al(OH) 3-1, the calculated 13C shielding is almost identical to that for free CO 2. The CO 3-like isomers of the CO 2-aluminosili-cate complexes show carbonate like geometries and 13C NMR shieldings about 4-9 ppm larger than those of carbonate for all T,T' pairs. For the Si,Si tetrahedral atom pair the CO 2-like isomer is more stable energetically, while for the Si,Al and Al,Al cases the CO 3-like isomer is more stable. Addition of Na + ions to the CO 3-2 or H 3AlO(CO 2)AlH 3-2 complexes reduces the 13C NMR shieldings by about 10 ppm. Complexation with either Na + or CO 2 also reduces the 29Si NMR shieldings of the aluminosilicate models, while the changes in 27Al shielding with Na + or CO 2

Nuclide release calculation in the near-field of a reference HLW repository

International Nuclear Information System (INIS)

Lee, Youn Myoung; Hwang, Yong Soo; Kang, Chul Hyung

2004-01-01

The HLW-relevant R and D program for disposal of high-level radioactive waste has been carried out at Korea Atomic Energy Research Institute (KAERI) since early 1997 in order to develop a conceptual Korea Reference Repository System for direct disposal of nuclear spent fuel by the end of 2007. A preliminary reference geologic repository concept considering such established criteria and requirements as waste and generic site characteristics in Korea was roughly envisaged in 2003 focusing on the near-field components of the repository system. According to above basic repository concept, which is similar to that of Swedish KBS-3 repository, the spent fuel is first encapsulated in corrosion resistant canisters, even though the material has not yet been determined, and then emplaced into the deposition holes surrounded by high density bentonite clay in tunnels constructed at a depth of about 500 m in a stable plutonic rock body. Not only to demonstrate how much a reference repository is safe in the generic point of view with several possible scenarios and cases associated with a preliminary repository concept by conducting calculations for nuclide release and transport in the near-field components of the repository, even though enough information has not been available that much yet, but also to show a methodology by which a generic safety assessment could be performed for further development of Korea reference repository concept, nuclide release calculation study strongly seems to be necessary

Toward an Active and Stable Catalyst for Oxygen Evolution in Acidic Media: Ti-Stabilized MnO2

DEFF Research Database (Denmark)

Frydendal, Rasmus; Paoli, Elisa Antares; Chorkendorff, Ib

2015-01-01

Catalysts are required for the oxygen evolution reaction, which are abundant, active, and stable in acid. MnO2 is a promising candidate material for this purpose. However, it dissolves at high overpotentials. Using first-principles calculations, a strategy to mitigate this problem by decorating...... undercoordinated surface sites of MnO2 with a stable oxide is developed here. TiO2 stands out as the most promising of the different oxides in the simulations. This prediction is experimentally verified by testing sputter-deposited thin films of MnO2 and Ti-MnO2. A combination of electrochemical measurements...

Comparison of Various Similarity Measures for Average Image Hash in Mobile Phone Application

Science.gov (United States)

Farisa Chaerul Haviana, Sam; Taufik, Muhammad

2017-04-01

One of the main issue in Content Based Image Retrieval (CIBR) is similarity measures for resulting image hashes. The main key challenge is to find the most benefits distance or similarity measures for calculating the similarity in term of speed and computing costs, specially under limited computing capabilities device like mobile phone. This study we utilize twelve most common and popular distance or similarity measures technique implemented in mobile phone application, to be compared and studied. The results show that all similarity measures implemented in this study was perform equally under mobile phone application. This gives more possibilities for method combinations to be implemented for image retrieval.

Approaches to daily body condition management in patients with stable chronic obstructive pulmonary disease.

Science.gov (United States)

Kawada, Terue

2016-11-01

To clarify the characteristics of sub-groups of patients with stable chronic obstructive pulmonary disease having similar approaches to daily body condition management. Prior literature has shed light on the experience of patients with chronic obstructive pulmonary disease and revealed that these patients engage in many activities and try different things in their daily lives to regulate and manage their body condition. The research so far has all been qualitative, comprising mostly interviews, and no quantitative studies have been performed. In this study, cluster analysis was used to show that subgroups of patients with similar characteristics undertake similar approaches to body condition management. Descriptive, correlational study. Invitations to participate in the survey were extended to patients with stable chronic obstructive pulmonary disease. Cluster analysis was performed on the basis of questionnaire scores relating to nine different categories of daily body condition management actions. The characteristics of the body condition management approaches, in each subgroup, were investigated using analysis of variance and multiple comparisons. The cluster analysis produced six subgroups, each defined by the effort expended as part of their body condition management. The subgroups also differed depending on patient age and disease severity. Body condition management approaches taken by patients with stable chronic obstructive pulmonary disease are overall, comprehensive approaches. Patients with chronic obstructive pulmonary disease were subgrouped based on their engagement in body conditioning. Relationships between the subgroups and the engagement in body conditioning, age and shortness of breath severity were observed. The care of patient support should be comprehensive and depend on their age and the duration of the disease. In addition, it should be long term and recognise that the patients are living their own respective lives. Such considerations and

A path-based measurement for human miRNA functional similarities using miRNA-disease associations

Science.gov (United States)

Ding, Pingjian; Luo, Jiawei; Xiao, Qiu; Chen, Xiangtao

2016-09-01

Compared with the sequence and expression similarity, miRNA functional similarity is so important for biology researches and many applications such as miRNA clustering, miRNA function prediction, miRNA synergism identification and disease miRNA prioritization. However, the existing methods always utilized the predicted miRNA target which has high false positive and false negative to calculate the miRNA functional similarity. Meanwhile, it is difficult to achieve high reliability of miRNA functional similarity with miRNA-disease associations. Therefore, it is increasingly needed to improve the measurement of miRNA functional similarity. In this study, we develop a novel path-based calculation method of miRNA functional similarity based on miRNA-disease associations, called MFSP. Compared with other methods, our method obtains higher average functional similarity of intra-family and intra-cluster selected groups. Meanwhile, the lower average functional similarity of inter-family and inter-cluster miRNA pair is obtained. In addition, the smaller p-value is achieved, while applying Wilcoxon rank-sum test and Kruskal-Wallis test to different miRNA groups. The relationship between miRNA functional similarity and other information sources is exhibited. Furthermore, the constructed miRNA functional network based on MFSP is a scale-free and small-world network. Moreover, the higher AUC for miRNA-disease prediction indicates the ability of MFSP uncovering miRNA functional similarity.

Calculation of an axisymmetric current coil field with the bounding contour integration method

Energy Technology Data Exchange (ETDEWEB)

Telegin, Alexander P.; Klevets, Nickolay I. E-mail: pmsolution@mail.ru

2004-06-01

Method for the economic and stable (in the sense of calculation errors) analysis of an induction of a magnetic field created with axisymmetric coils in arbitrary points of space, including points located inside a coil or on its border, is obtained. The basic idea of the method is to replace a current coil with continuous distribution of current density by magnetization distributed in the volume of the coil and creating the equivalent magnetic field. This allows to use field surface sources at calculation of the fields. Consequently, the range of integration is reduced resulting in reduction of calculation volume by an order in most cases. Besides, the calculation of improper integrals in internal points and on the border is completely excluded.

Calculation of an axisymmetric current coil field with the bounding contour integration method

International Nuclear Information System (INIS)

Telegin, Alexander P.; Klevets, Nickolay I.

2004-01-01

Method for the economic and stable (in the sense of calculation errors) analysis of an induction of a magnetic field created with axisymmetric coils in arbitrary points of space, including points located inside a coil or on its border, is obtained. The basic idea of the method is to replace a current coil with continuous distribution of current density by magnetization distributed in the volume of the coil and creating the equivalent magnetic field. This allows to use field surface sources at calculation of the fields. Consequently, the range of integration is reduced resulting in reduction of calculation volume by an order in most cases. Besides, the calculation of improper integrals in internal points and on the border is completely excluded

High-throughput density functional calculations to optimize properties and interfacial chemistry of piezoelectric materials

Science.gov (United States)

Barr, Jordan A.; Lin, Fang-Yin; Ashton, Michael; Hennig, Richard G.; Sinnott, Susan B.

2018-02-01

High-throughput density functional theory calculations are conducted to search through 1572 A B O3 compounds to find a potential replacement material for lead zirconate titanate (PZT) that exhibits the same excellent piezoelectric properties as PZT and lacks both its use of the toxic element lead (Pb) and the formation of secondary alloy phases with platinum (Pt) electrodes. The first screening criterion employed a search through the Materials Project database to find A -B combinations that do not form ternary compounds with Pt. The second screening criterion aimed to eliminate potential candidates through first-principles calculations of their electronic structure, in which compounds with a band gap of 0.25 eV or higher were retained. Third, thermodynamic stability calculations were used to compare the candidates in a Pt environment to compounds already calculated to be stable within the Materials Project. Formation energies below or equal to 100 meV/atom were considered to be thermodynamically stable. The fourth screening criterion employed lattice misfit to identify those candidate perovskites that have low misfit with the Pt electrode and high misfit of potential secondary phases that can be formed when Pt alloys with the different A and B components. To aid in the final analysis, dynamic stability calculations were used to determine those perovskites that have dynamic instabilities that favor the ferroelectric distortion. Analysis of the data finds three perovskites warranting further investigation: CsNb O3 , RbNb O3 , and CsTa O3 .

Chemical fractionation of radionuclides and stable elements in aquatic plants of the Yenisei River.

Science.gov (United States)

Bolsunovsky, Alexander

2011-09-01

The Yenisei River is contaminated with artificial radionuclides released by one of the Russian nuclear plants. The aquatic plants growing in the radioactively contaminated parts of the river contain artificial radionuclides. The aim of the study was to investigate accumulation of artificial radionuclides and stable elements by submerged plants of the Yenisei River and estimate the strength of their binding to plant biomass by using a new sequential extraction scheme. The aquatic plants sampled were: Potamogeton lucens, Fontinalis antipyretica, and Batrachium kauffmanii. Gamma-spectrometric analysis of the samples of aquatic plants has revealed more than 20 radionuclides. We also investigated the chemical fractionation of radionuclides and stable elements in the biomass and rated radionuclides and stable elements based on their distribution in biomass. The greatest number of radionuclides strongly bound to biomass cell structures was found for Potamogeton lucens and the smallest for Batrachium kauffmanii. For Fontinalis antipyretica, the number of distribution patterns that were similar for both radioactive isotopes and their stable counterparts was greater than for the other studied species. The transuranic elements (239)Np and (241)Am were found in the intracellular fraction of the biomass, and this suggested their active accumulation by the plants.

Block generators for the similarity renormalization group

Energy Technology Data Exchange (ETDEWEB)

Huether, Thomas; Roth, Robert [TU Darmstadt (Germany)

2016-07-01

The Similarity Renormalization Group (SRG) is a powerful tool to improve convergence behavior of many-body calculations using NN and 3N interactions from chiral effective field theory. The SRG method decouples high and low-energy physics, through a continuous unitary transformation implemented via a flow equation approach. The flow is determined by a generator of choice. This generator governs the decoupling pattern and, thus, the improvement of convergence, but it also induces many-body interactions. Through the design of the generator we can optimize the balance between convergence and induced forces. We explore a new class of block generators that restrict the decoupling to the high-energy sector and leave the diagonalization in the low-energy sector to the many-body method. In this way one expects a suppression of induced forces. We analyze the induced many-body forces and the convergence behavior in light and medium-mass nuclei in No-Core Shell Model and In-Medium SRG calculations.

A New Calculation Method of Dynamic Kill Fluid Density Variation during Deep Water Drilling

Directory of Open Access Journals (Sweden)

Honghai Fan

2017-01-01

Full Text Available There are plenty of uncertainties and enormous challenges in deep water drilling due to complicated shallow flow and deep strata of high temperature and pressure. This paper investigates density of dynamic kill fluid and optimum density during the kill operation process in which dynamic kill process can be divided into two stages, that is, dynamic stable stage and static stable stage. The dynamic kill fluid consists of a single liquid phase and different solid phases. In addition, liquid phase is a mixture of water and oil. Therefore, a new method in calculating the temperature and pressure field of deep water wellbore is proposed. The paper calculates the changing trend of kill fluid density under different temperature and pressure by means of superposition method, nonlinear regression, and segment processing technique. By employing the improved model of kill fluid density, deep water kill operation in a well is investigated. By comparison, the calculated density results are in line with the field data. The model proposed in this paper proves to be satisfactory in optimizing dynamic kill operations to ensure the safety in deep water.

Stable single helical C- and I-chains inside single-walled carbon nanotubes

International Nuclear Information System (INIS)

Yao Z; Li Y; Jing X D; Meng F S; Zhao X; Li J H; Qiu Z Y; Yuan Q; Wang W X; Bi L; Liu H; Zhang Y P; Liu C J; Zheng S P; Liu B B

2016-01-01

The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes (SWCNTs) is studied by calculating the systematic van der Waals interaction energy. The results show that the optimal helical radius increases linearly with increasing tube radius, which produces a constant separation between the chain structure and the tube wall. The helical angle exhibits a ladder-like decrease with increasing tube radius, indicating that a large tube can produce a small helicity in the helical structures. (paper)

SemFunSim: a new method for measuring disease similarity by integrating semantic and gene functional association.

Directory of Open Access Journals (Sweden)

Liang Cheng

Full Text Available Measuring similarity between diseases plays an important role in disease-related molecular function research. Functional associations between disease-related genes and semantic associations between diseases are often used to identify pairs of similar diseases from different perspectives. Currently, it is still a challenge to exploit both of them to calculate disease similarity. Therefore, a new method (SemFunSim that integrates semantic and functional association is proposed to address the issue.SemFunSim is designed as follows. First of all, FunSim (Functional similarity is proposed to calculate disease similarity using disease-related gene sets in a weighted network of human gene function. Next, SemSim (Semantic Similarity is devised to calculate disease similarity using the relationship between two diseases from Disease Ontology. Finally, FunSim and SemSim are integrated to measure disease similarity.The high average AUC (area under the receiver operating characteristic curve (96.37% shows that SemFunSim achieves a high true positive rate and a low false positive rate. 79 of the top 100 pairs of similar diseases identified by SemFunSim are annotated in the Comparative Toxicogenomics Database (CTD as being targeted by the same therapeutic compounds, while other methods we compared could identify 35 or less such pairs among the top 100. Moreover, when using our method on diseases without annotated compounds in CTD, we could confirm many of our predicted candidate compounds from literature. This indicates that SemFunSim is an effective method for drug repositioning.

Partitioning evapotranspiration fluxes with water stable isotopic measurements: from the lab to the field

Science.gov (United States)

Quade, M. E.; Brueggemann, N.; Graf, A.; Rothfuss, Y.

2017-12-01

Water stable isotopes are powerful tools for partitioning net into raw water fluxes such as evapotranspiration (ET) into soil evaporation (E) and plant transpiration (T). The isotopic methodology for ET partitioning is based on the fact that E and T have distinct water stable isotopic compositions, which in turn relies on the fact that each flux is differently affected by isotopic kinetic effects. An important work to be performed in parallel to field measurements is to better characterize these kinetic effects in the laboratory under controlled conditions. A soil evaporation laboratory experiment was conducted to retrieve characteristic values of the kinetic fractionation factor (αK) under varying soil and atmospheric water conditions. For this we used a combined soil and atmosphere column to monitor the soil and atmospheric water isotopic composition profiles at a high temporal and vertical resolution in a nondestructive manner by combining micro-porous membranes and laser spectroscopy. αK was calculated by using a well-known isotopic evaporation model in an inverse mode with the isotopic composition of E as one input variable, which was determined using a micro-Keeling regression plot. Knowledge on αK was further used in the field (Selhausen, North Rhine-Westphalia, Germany) to partition ET of catch crops and sugar beet (Beta vulgaris) during one growing season. Soil and atmospheric water isotopic profiles were measured automatically across depths and heights following a similar modus operandi as in the laboratory experiment. Additionally, a newly developed continuously moving elevator was used to obtain water vapor isotopic composition profiles with a high vertical resolution between soil surface, plant canopy and atmosphere. Finally, soil and plant samples were collected destructively to provide a comparison with the traditional isotopic methods. Our results illustrate the changing proportions of T and E along the growing season and demonstrate the

BaTiO3-based nanolayers and nanotubes: first-principles calculations.

Science.gov (United States)

Evarestov, Robert A; Bandura, Andrei V; Kuruch, Dmitrii D

2013-01-30

The first-principles calculations using hybrid exchange-correlation functional and localized atomic basis set are performed for BaTiO(3) (BTO) nanolayers and nanotubes (NTs) with the structure optimization. Both the cubic and the ferroelectric BTO phases are used for the nanolayers and NTs modeling. It follows from the calculations that nanolayers of the different ferroelectric BTO phases have the practically identical surface energies and are more stable than nanolayers of the cubic phase. Thin nanosheets composed of three or more dense layers of (0 1 0) and (0 1 1[overline]) faces preserve the ferroelectric displacements inherent to the initial bulk phase. The structure and stability of BTO single-wall NTs depends on the original bulk crystal phase and a wall thickness. The majority of the considered NTs with the low formation and strain energies has the mirror plane perpendicular to the tube axis and therefore cannot exhibit ferroelectricity. The NTs folded from (0 1 1[overline]) layers may show antiferroelectric arrangement of Ti-O bonds. Comparison of stability of the BTO-based and SrTiO(3)-based NTs shows that the former are more stable than the latter. Copyright © 2012 Wiley Periodicals, Inc.

Pressure induced structural phase transition of OsB 2: First-principles calculations

Science.gov (United States)

Ren, Fengzhu; Wang, Yuanxu; Lo, V. C.

2010-04-01

Orthorhombic OsB 2 was synthesized at 1000 °C and its compressibility was measured by using the high-pressure X-ray diffraction in a Diacell diamond anvil cell from ambient pressure to 32 GPa [R.W. Cumberland, et al. (2005)]. First-principles calculations were performed to study the possibility of the phase transition of OsB 2. An analysis of the calculated enthalpy shows that orthorhombic OsB 2 can transfer to the hexagonal phase at 10.8 GPa. The calculated results with the quasi-harmonic approximation indicate that this phase transition pressure is little affected by the thermal effect. The calculated phonon band structure shows that the hexagonal P 6 3/ mmc structure (high-pressure phase) is stable for OsB 2. We expect the phase transition can be further confirmed by the experimental work.

Assessing semantic similarity of texts - Methods and algorithms

Science.gov (United States)

Rozeva, Anna; Zerkova, Silvia

2017-12-01

Assessing the semantic similarity of texts is an important part of different text-related applications like educational systems, information retrieval, text summarization, etc. This task is performed by sophisticated analysis, which implements text-mining techniques. Text mining involves several pre-processing steps, which provide for obtaining structured representative model of the documents in a corpus by means of extracting and selecting the features, characterizing their content. Generally the model is vector-based and enables further analysis with knowledge discovery approaches. Algorithms and measures are used for assessing texts at syntactical and semantic level. An important text-mining method and similarity measure is latent semantic analysis (LSA). It provides for reducing the dimensionality of the document vector space and better capturing the text semantics. The mathematical background of LSA for deriving the meaning of the words in a given text by exploring their co-occurrence is examined. The algorithm for obtaining the vector representation of words and their corresponding latent concepts in a reduced multidimensional space as well as similarity calculation are presented.

Stable particles

International Nuclear Information System (INIS)

Samios, N.P.

1993-01-01

I have been asked to review the subject of stable particles, essentially the particles that eventually comprised the meson and baryon octets. with a few more additions -- with an emphasis on the contributions made by experiments utilizing the bubble chamber technique. In this activity, much work had been done by the photographic emulsion technique and cloud chambers-exposed to cosmic rays as well as accelerator based beams. In fact, many if not most of the stable particles were found by these latter two techniques, however, the forte of the bubble chamber (coupled with the newer and more powerful accelerators) was to verify, and reinforce with large statistics, the existence of these states, to find some of the more difficult ones, mainly neutrals and further to elucidate their properties, i.e., spin, parity, lifetimes, decay parameters, etc

Influence of horse stable environment on human airways

Directory of Open Access Journals (Sweden)

Pringle John

2009-05-01

Full Text Available Abstract Background Many people spend considerable amount of time each day in equine stable environments either as employees in the care and training of horses or in leisure activity. However, there are few studies available on how the stable environment affects human airways. This study examined in one horse stable qualitative differences in indoor air during winter and late summer conditions and assessed whether air quality was associated with clinically detectable respiratory signs or alterations to selected biomarkers of inflammation and lung function in stable personnel. Methods The horse stable environment and stable-workers (n = 13 in one stable were investigated three times; first in the winter, second in the interjacent late summer and the third time in the following winter stabling period. The stable measurements included levels of ammonia, hydrogen sulphide, total and respirable dust, airborne horse allergen, microorganisms, endotoxin and glucan. The stable-workers completed a questionnaire on respiratory symptoms, underwent nasal lavage with subsequent analysis of inflammation markers, and performed repeated measurements of pulmonary function. Results Measurements in the horse stable showed low organic dust levels and high horse allergen levels. Increased viable level of fungi in the air indicated a growing source in the stable. Air particle load as well as 1,3-β-glucan was higher at the two winter time-points, whereas endotoxin levels were higher at the summer time-point. Two stable-workers showed signs of bronchial obstruction with increased PEF-variability, increased inflammation biomarkers relating to reported allergy, cold or smoking and reported partly work-related symptoms. Furthermore, two other stable-workers reported work-related airway symptoms, of which one had doctor's diagnosed asthma which was well treated. Conclusion Biomarkers involved in the development of airway diseases have been studied in relation to

Influence of horse stable environment on human airways.

Science.gov (United States)

Elfman, Lena; Riihimäki, Miia; Pringle, John; Wålinder, Robert

2009-05-25

Many people spend considerable amount of time each day in equine stable environments either as employees in the care and training of horses or in leisure activity. However, there are few studies available on how the stable environment affects human airways. This study examined in one horse stable qualitative differences in indoor air during winter and late summer conditions and assessed whether air quality was associated with clinically detectable respiratory signs or alterations to selected biomarkers of inflammation and lung function in stable personnel. The horse stable environment and stable-workers (n = 13) in one stable were investigated three times; first in the winter, second in the interjacent late summer and the third time in the following winter stabling period. The stable measurements included levels of ammonia, hydrogen sulphide, total and respirable dust, airborne horse allergen, microorganisms, endotoxin and glucan. The stable-workers completed a questionnaire on respiratory symptoms, underwent nasal lavage with subsequent analysis of inflammation markers, and performed repeated measurements of pulmonary function. Measurements in the horse stable showed low organic dust levels and high horse allergen levels. Increased viable level of fungi in the air indicated a growing source in the stable. Air particle load as well as 1,3-beta-glucan was higher at the two winter time-points, whereas endotoxin levels were higher at the summer time-point. Two stable-workers showed signs of bronchial obstruction with increased PEF-variability, increased inflammation biomarkers relating to reported allergy, cold or smoking and reported partly work-related symptoms. Furthermore, two other stable-workers reported work-related airway symptoms, of which one had doctor's diagnosed asthma which was well treated. Biomarkers involved in the development of airway diseases have been studied in relation to environmental exposure levels in equine stables. Respirable dust and 1

Methanol extract of grain dust shows complement fixing activity and other characteristics similar to tannic acid.

Science.gov (United States)

Skea, D; Broder, I

1986-01-01

We have found several similarities between tannic acid and grain dust extract prepared with methanol. Both formed a precipitate with IgG, and these interactions were inhibited by albumin. In addition, both preparations fixed complement; this activity was heat stable and was removed by prior adsorption of the preparations with hide powder. Adsorption with polyvinyl polypyrrolidone reduced the complement-fixing activity of tannic acid but not that of the methanol grain dust extract. The similarities between tannic acid and the methanol grain dust extract are consistent with the presence of a tannin or tanninlike material in grain dust. Images FIGURE 1. PMID:3709479

Stable configurations in social networks

Science.gov (United States)

Bronski, Jared C.; DeVille, Lee; Ferguson, Timothy; Livesay, Michael

2018-06-01

We present and analyze a model of opinion formation on an arbitrary network whose dynamics comes from a global energy function. We study the global and local minimizers of this energy, which we call stable opinion configurations, and describe the global minimizers under certain assumptions on the friendship graph. We show a surprising result that the number of stable configurations is not necessarily monotone in the strength of connection in the social network, i.e. the model sometimes supports more stable configurations when the interpersonal connections are made stronger.

Development of Stable Isotope Technology

International Nuclear Information System (INIS)

Jeong, Do Young; Kim, Cheol Jung; Han, Jae Min

2009-03-01

KAERI has obtained an advanced technology with singular originality for laser stable isotope separation. Objectives for this project are to get production technology of Tl-203 stable isotope used for medical application and are to establish the foundation of the pilot system, while we are taking aim at 'Laser Isotope Separation Technology to make resistance to the nuclear proliferation'. And we will contribute to ensuring a nuclear transparency in the world society by taking part in a practical group of NSG and being collaboration with various international groups related to stable isotope separation technology

Calcium stable isotope geochemistry

Energy Technology Data Exchange (ETDEWEB)

Gausonne, Nikolaus [Muenster Univ. (Germany). Inst. fuer Mineralogie; Schmitt, Anne-Desiree [Strasbourg Univ. (France). LHyGeS/EOST; Heuser, Alexander [Bonn Univ. (Germany). Steinmann-Inst. fuer Geologie, Mineralogie und Palaeontologie; Wombacher, Frank [Koeln Univ. (Germany). Inst. fuer Geologie und Mineralogie; Dietzel, Martin [Technische Univ. Graz (Austria). Inst. fuer Angewandte Geowissenschaften; Tipper, Edward [Cambridge Univ. (United Kingdom). Dept. of Earth Sciences; Schiller, Martin [Copenhagen Univ. (Denmark). Natural History Museum of Denmark

2016-08-01

This book provides an overview of the fundamentals and reference values for Ca stable isotope research, as well as current analytical methodologies including detailed instructions for sample preparation and isotope analysis. As such, it introduces readers to the different fields of application, including low-temperature mineral precipitation and biomineralisation, Earth surface processes and global cycling, high-temperature processes and cosmochemistry, and lastly human studies and biomedical applications. The current state of the art in these major areas is discussed, and open questions and possible future directions are identified. In terms of its depth and coverage, the current work extends and complements the previous reviews of Ca stable isotope geochemistry, addressing the needs of graduate students and advanced researchers who want to familiarize themselves with Ca stable isotope research.

Calcium stable isotope geochemistry

International Nuclear Information System (INIS)

Gausonne, Nikolaus; Schmitt, Anne-Desiree; Heuser, Alexander; Wombacher, Frank; Dietzel, Martin; Tipper, Edward; Schiller, Martin

2016-01-01

This book provides an overview of the fundamentals and reference values for Ca stable isotope research, as well as current analytical methodologies including detailed instructions for sample preparation and isotope analysis. As such, it introduces readers to the different fields of application, including low-temperature mineral precipitation and biomineralisation, Earth surface processes and global cycling, high-temperature processes and cosmochemistry, and lastly human studies and biomedical applications. The current state of the art in these major areas is discussed, and open questions and possible future directions are identified. In terms of its depth and coverage, the current work extends and complements the previous reviews of Ca stable isotope geochemistry, addressing the needs of graduate students and advanced researchers who want to familiarize themselves with Ca stable isotope research.

Self-similarity in the equation of motion of a ship

Directory of Open Access Journals (Sweden)

Gyeong Joong Lee

2014-06-01

Full Text Available If we want to analyze the motion of a body in fluid, we should use rigid-body dynamics and fluid dynamics together. Even if the rigid-body and fluid dynamics are each self-consistent, there arises the problem of self-similar structure in the equation of motion when the two dynamics are coupled with each other. When the added mass is greater than the mass of a body, the calculated motion is divergent because of its self-similar structure. This study showed that the above problem is an inherent problem. This problem of self-similar structure may arise in the equation of motion in which the fluid dynamic forces are treated as external forces on the right hand side of the equation. A reconfiguration technique for the equation of motion using pseudo-added-mass was proposed to resolve the self-similar structure problem; specifically for the case when the fluid force is expressed by integration of the fluid pressure.

Research on electric and thermal characteristics of plasma torch based on similarity theory

International Nuclear Information System (INIS)

Cheng Changming; Tang Deli; Lan Wei

2007-01-01

Configuration and working principle of a DC non-transferred plasma torch have been introduced. Based on similarity theory, connections between the electric-thermal characteristics and operational parameter such as flowing gas rate and arc power have been investigated. Calculation and experiment are compared. The results indicate that the calculation results are in agreement with experimental ones. The formulas can be used for plasma torch improvement and optimization. (authors)

Infrared and Raman spectra, DFT-calculations and spectral assignments of germacyclohexane

Energy Technology Data Exchange (ETDEWEB)

Aleksa, V., E-mail: valdemaras.aleksa@ff.vu.lt; Ozerenskis, D.; Pucetaite, M.; Sablinskas, V. [Faculty of Physics, Vilnius University, Sauletekio av. 9, block 3, Vilnius, LT-10222 (Lithuania); Cotter, C.; Guirgis, G. A. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States)

2015-03-30

Raman spectra of germacyclohexane in liquid and solid states were recorded and depolarization data obtained. Infrared absorption spectra of the vapor and liquid have been studied. The wavenumbers of the vibrational modes were derived in the harmonic and anharmonic approximation in B3LYP/ccpVTZ calculations. According to the calculations, germacyclohexane exists in the stable chair conformation, whereas a possible twist form should have more than 15 kJ·mol{sup -1} higher enthalpy of formation what makes this conformer experimentally not observable. The 27 A' and 21 A'' fundamentals were assigned on the basis of the calculations and infrared and Raman band intensities, contours of gas phase infrared spectral bands and Raman depolarization measurements. An average discrepancy of ca. 0.77 % was found between the observed and the calculated anharmonic wavenumbers for the 48 modes. Substitution of carbon atom with Ge atom in the cyclohexane ring is reasoning flattening of the ring.

An improved Armstrong-Frederick-Type Plasticity Model for Stable Cyclic Stress-Strain Responses Considering Nonproportional Hardening

Science.gov (United States)

Li, Jing; Zhang, Zhong-ping; Li, Chun-wang

2018-03-01

This paper modified an Armstrong-Frederick-type plasticity model for investigating the stable cyclic deformation behavior of metallic materials with different sensitivity to nonproportional loadings. In the modified model, the nonproportionality factor and nonproportional cyclic hardening coefficient coupled with the Jiang-Sehitoglu incremental plasticity model were used to estimate the stable stress-strain responses of the two materials (1045HR steel and 304 stainless steel) under various tension-torsion strain paths. A new equation was proposed to calculate the nonproportionality factor on the basis of the minimum normal strain range. Procedures to determine the minimum normal strain range were presented for general multiaxial loadings. Then, the modified model requires only the cyclic strain hardening exponent and cyclic strength coefficient to determine the material constants. It is convenient for predicting the stable stress-strain responses of materials in engineering application. Comparisons showed that the modified model can reflect the effect of nonproportional cyclic hardening well.

ANALYTICAL EMPLOYMENT OF STABLE ISOTOPES OF CARBON, NITROGEN, OXYGEN AND HYDROGEN FOR FOOD AUTHENTICATION

Directory of Open Access Journals (Sweden)

E. Novelli

2011-04-01

Full Text Available Stable isotopes of carbon, nitrogen, oxygen and hydrogen were used for analytical purposes for the discrimination of the type of production (farming vs. fishing in the case of sea bass and for geographical origin in the case of milk. These results corroborate similar experimental evidences and confirm the potential of this analytical tool to support of food traceability.

Renin-angiotensin system antagonists and clinical outcomes in stable coronary artery disease without heart failure.

Science.gov (United States)

Sorbets, Emmanuel; Labreuche, Julien; Simon, Tabassome; Delorme, Laurent; Danchin, Nicolas; Amarenco, Pierre; Goto, Shinya; Meune, Christophe; Eagle, Kim A; Bhatt, Deepak L; Steg, Philippe Gabriel

2014-07-01

The aim of this study was to determine whether angiotensin-converting enzyme inhibitor (ACEI) or angiotensin-II receptor blocker (ARB) use is associated with lower rates of cardiovascular events in patients with stable coronary artery disease (CAD) but without heart failure (HF) receiving contemporary medical management. Using data from the Reduction of Atherothrombosis for Continued Health (REACH) registry, we examined, using propensity score approaches, relationships between cardiovascular outcomes and ACEI/ARB use (64.1% users) in 20 909 outpatients with stable CAD and free of HF at baseline. As internal control, we assessed the relation between statin use and outcomes. At 4-year follow-up, the risk of cardiovascular death, MI, or stroke (primary outcome) was similar in ACEI/ARB users compared with non-users (hazard ratio, 1.03; 95% confidence interval [CI], 0.91-1.16; P = 0.66). Similarly, the risk of the primary outcome and cardiovascular hospitalization for atherothrombotic events (secondary outcome) was not reduced in ACEI/ARB users (hazard ratio, 1.08; 95% CI, 1.01-1.16; P = 0.04), nor were the rates of any of its components. Analyses using propensity score matching yielded similar results, as did sensitivity analyses accounting for missing covariates, changes in medications over time, or analysing separately ACEI and ARB use. In contrast, in the same cohort, statin use was associated with lower rates for all outcomes. Use of ACEI/ARB was not associated with better outcomes in stable CAD outpatients without HF. The benefit of ACEI/ARB seen in randomized clinical trials was not replicated in this large contemporary cohort, which questions their value in this specific subset. Published on behalf of the European Society of Cardiology. All rights reserved. © The Author 2014. For permissions please email: journals.permissions@oup.com.

The Summary Index of Malaria Surveillance (SIMS: a stable index of malaria within India

Directory of Open Access Journals (Sweden)

Sharma Vinod P

2010-02-01

Full Text Available Abstract Background Malaria in India has been difficult to measure. Mortality and morbidity are not comprehensively reported, impeding efforts to track changes in disease burden. However, a set of blood measures has been collected regularly by the National Malaria Control Program in most districts since 1958. Methods Here, we use principal components analysis to combine these measures into a single index, the Summary Index of Malaria Surveillance (SIMS, and then test its temporal and geographic stability using subsets of the data. Results The SIMS correlates positively with all its individual components and with external measures of mortality and morbidity. It is highly consistent and stable over time (1995-2005 and regions of India. It includes measures of both vivax and falciparum malaria, with vivax dominant at lower transmission levels and falciparum dominant at higher transmission levels, perhaps due to ecological specialization of the species. Conclusions This measure should provide a useful tool for researchers looking to summarize geographic or temporal trends in malaria in India, and can be readily applied by administrators with no mathematical or scientific background. We include a spreadsheet that allows simple calculation of the index for researchers and local administrators. Similar principles are likely applicable worldwide, though further validation is needed before using the SIMS outside India.

Unpredictably Stable

DEFF Research Database (Denmark)

Failla, Virgilio; Melillo, Francesca; Reichstein, Toke

2014-01-01

Is entrepreneurship a more stable career choice for high employment turnover individuals? We find that a transition to entrepreneurship induces a shift towards stayer behavior and identify job matching, job satisfaction and lock-in effects as main drivers. These findings have major implications...

Study of the structure and chemical bonding of crystalline Ge_4Sb_2Te_7 using first principle calculations

International Nuclear Information System (INIS)

Singh, Janpreet; Singh, Satvinder; Tripathi, S. K.; Singh, Gurinder; Kaura, Aman

2016-01-01

The atomic arrangements and chemical bonding of stable Ge_4Sb_2Te_7 (GeTe rich), a phase-change material, have been investigated by means of ab initio total energy calculations. To study the atomic arrangement, GeTe block is considered into -TeSbTeSbTe- block and -Te-Te- layer in the stacking I and II respectively. The stacking I is energetically more stable than the stacking II. The reason for more stability of the stacking I has been explained. The chemical bonding has been studied with the electronic charge density distribution around the atomic bonds. The quantity of electronic charge loosed or gained by atoms has been calculated using the Bader charge analysis. The metallic character has been studied using band structures calculations. The band gap for the stacking I and II is 0.463 and 0.219 eV respectively.

Genetic similarity of soybean genotypes revealed by seed protein

Directory of Open Access Journals (Sweden)

Nikolić Ana

2005-01-01

Full Text Available More accurate and complete descriptions of genotypes could help determinate future breeding strategies and facilitate introgression of new genotypes in current soybean genetic pool. The objective of this study was to characterize 20 soybean genotypes from the Maize Research Institute "Zemun Polje" collection, which have good agronomic performances, high yield, lodging and drought resistance, and low shuttering by seed proteins as biochemical markers. Seed proteins were isolated and separated by PAA electrophoresis. On the basis of the presence/absence of protein fractions coefficients of similarity were calculated as Dice and Roger and Tanamoto coefficient between pairs of genotypes. The similarity matrix was submitted for hierarchical cluster analysis of un weighted pair group using arithmetic average (UPGMA method and necessary computation were performed using NTSYS-pc program. Protein seed analysis confirmed low level of genetic diversity in soybean. The highest genetic similarity was between genotypes P9272 and Kador. According to obtained results, soybean genotypes were assigned in two larger groups and coefficients of similarity showed similar results. Because of the lack of pedigree data for analyzed genotypes, correspondence with marker data could not be determined. In plant with a narrow genetic base in their gene pool, such as soybean, protein markers may not be sufficient for characterization and study of genetic diversity.

Dutch distribution zones of stable iodine tablets based on atmospheric dispersion modelling of accidental releases from nuclear power plants.

NARCIS (Netherlands)

Kok-Palma, Y.S.; Leenders, M.; Meulenbelt, J.

2010-01-01

Rapid administration of stable iodine is essential for the saturation and subsequent protection of the thyroid gland against the potential harm caused by radioiodines. This paper proposes the Dutch risk analysis that uses an atmospheric dispersion model to calculate the size of the zones around

An energy stable evolution method for simulating two-phase equilibria of multi-component fluids at constant moles, volume and temperature

KAUST Repository

Kou, Jisheng; Sun, Shuyu; Wang, Xiuhua

2016-01-01

In this paper, we propose an energy-stable evolution method for the calculation of the phase equilibria under given volume, temperature, and moles (VT-flash). An evolution model for describing the dynamics of two-phase fluid system is based on Fick

Dynamic stability of self-similar solutions for a plasma pinch

International Nuclear Information System (INIS)

Ma, Sifeng.

1988-01-01

Linear Magnetohydrodynamic (MHD) stability theory is applied to a class of self-similar solutions which describe implosion, expansion and oscillation of an infinitely conducting plasma column. The equations of perturbation are derived in the Lagrangian coordinate system. Numerical procedures via the finite-element method are formulated, and general aspects of dynamic stability are discussed, The dynamic stability of the column when it is oscillatory is studied in detail using the Floquet theory, and the characteristic exponent is calculated numerically. A-pinch configuration is examined. It is found that self-similar oscillations in general destabilize the continua in the MHD spectrum, and parametric instability results

Textual and chemical information processing: different domains but similar algorithms

Directory of Open Access Journals (Sweden)

Peter Willett

2000-01-01

Full Text Available This paper discusses the extent to which algorithms developed for the processing of textual databases are also applicable to the processing of chemical structure databases, and vice versa. Applications discussed include: an algorithm for distribution sorting that has been applied to the design of screening systems for rapid chemical substructure searching; the use of measures of inter-molecular structural similarity for the analysis of hypertext graphs; a genetic algorithm for calculating term weights for relevance feedback searching for determining whether a molecule is likely to exhibit biological activity; and the use of data fusion to combine the results of different chemical similarity searches.

Fluorescein isothiocyanate: Molecular characterization by theoretical calculations

Energy Technology Data Exchange (ETDEWEB)

Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No 69, Lleida E-25001 (Spain); Jacquemin, Denis [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium)], E-mail: denis.jacquemin@fundp.ac.be; Perpete, Eric A. [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium); Aleman, Carlos [Departament d' Enginyeria Quimica, E. T. S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.edu

2008-12-10

Quantum mechanical calculations have been used to investigate the conformation, molecular geometry, basicity and spectroscopic properties of fluorescein isothiocyanate in both the gas-phase and aqueous solution. Specifically, calculations have been performed considering the neutral, monoanionic and dianionic forms of this important fluorescent compound. Results reveal that for the neutral form multiple conformational states are possible, all them with significant contributions, and the stability of the different conformers is similar in the gas-phase and aqueous solution. Calculation of the excitation energies revealed that spectroscopic properties are very sensitive to the relaxation effect in solution. A good agreement has been reached obtained between the experimental and theoretical values derived from time-dependent density functional theory methods for the neutral form, whereas for charged species the calculations fail to accurately reproduce the measured trends.

Stable carbon isotope fractionation during the biodegradation of lambda-cyhalothrin.

Science.gov (United States)

Shen, Xiaoli; Xu, Zemin; Zhang, Xichang; Yang, Fangxing

2015-11-01

In this study, the microbial degradation of lambda-cyhalothrin in soil was investigated using compound-specific stable isotope analysis. The results revealed that lambda-cyhalothrin was biodegraded in soil under laboratory conditions. The half-lives of lambda-cyhalothrin were determined to be 49 and 161 days in non-sterile and sterile soils spiked with 2mg/kg lambda-cyhalothrin and 84 and 154 days in non-sterile and sterile soils spiked with 10mg/kg lambda-cyhalothrin, respectively. The biodegradation of lambda-cyhalothrin resulted in carbon isotope fractionation, which shifted from -29.0‰ to -26.5‰ in soil spiked with 2mg/kg lambda-cyhalothrin, and to -27.5‰ with 10mg/kg lambda-cyhalothrin. A relationship was established between the stable carbon isotope fraction and the residual concentrations of lambda-cyhalothrin by the Rayleigh equation in which the carbon isotope enrichment factor ε of the microbial degradation of lambda-cyhalothrin in the soil was calculated as -2.53‰. This study provides an approach to quantitatively evaluate the biodegradation of lambda-cyhalothrin in soil in field studies. Copyright © 2015 Elsevier B.V. All rights reserved.

Odd-parity perturbations of the self-similar LTB spacetime

Energy Technology Data Exchange (ETDEWEB)

Duffy, Emily M; Nolan, Brien C, E-mail: emilymargaret.duffy27@mail.dcu.ie, E-mail: brien.nolan@dcu.ie [School of Mathematical Sciences, Dublin City University, Glasnevin, Dublin 9 (Ireland)

2011-05-21

We consider the behaviour of odd-parity perturbations of those self-similar LemaItre-Tolman-Bondi spacetimes which admit a naked singularity. We find that a perturbation which evolves from initially regular data remains finite on the Cauchy horizon. Finiteness is demonstrated by considering the behaviour of suitable energy norms of the perturbation (and pointwise values of these quantities) on natural spacelike hypersurfaces. This result holds for a general choice of initial data and initial data surface. Finally, we examine the perturbed Weyl scalars in order to provide a physical interpretation of our results. Taken on its own, this result does not support cosmic censorship; however, a full perturbation of this spacetime would include even-parity perturbations, so we cannot conclude that this spacetime is stable to all linear perturbations.

HLW disposal by fission reactors; calculation of trans-mutation rate and recycle

International Nuclear Information System (INIS)

Mulyanto

1997-01-01

Transmutation of MA (Minor actinide) and LLFPS (long-lived fission products) into stable nuclide or short-lived isotopes by fission reactors seem to become an alternative technology for HLW disposal. in this study, transmutation rate and recycle calculation were developed in order to evaluate transmutation characteristics of MA and LLFPs in the fission reactors. inventory of MA and LLFPs in the transmutation reactors were determined by solving of criticality equation with 1-D cylindrical geometry of multigroup diffusion equations at the beginning of cycle (BOC). transmutation rate and burn-up was determined by solving of depletion equation. inventory of MA and LLFPs was calculated for 40 years recycle. From this study, it was concluded that characteristics of MA and LLFPs in the transmutation reactors can be evaluated by recycle calculation. by calculation of transmutation rate, performance of fission reactor for transmutation of MA or LLFPs can be discussed

Design strategy for air-stable organic semiconductors applicable to high-performance field-effect transistors

OpenAIRE

Kazuo Takimiya et al

2007-01-01

Electronic structure of air-stable, high-performance organic field-effect transistor (OFET) material, 2,7-dipheneyl[1]benzothieno[3,2-b]benzothiophene (DPh-BTBT), was discussed based on the molecular orbital calculations. It was suggested that the stability is originated from relatively low-lying HOMO level, despite the fact that the molecule contains highly π-extended aromatic core ([1]benzothieno[3,2-b]benzothiophene, BTBT) with four fused aromatic rings like naphthacene. This is rationaliz...

DEVELOPMENT OF MODEL FOR QUANTITATIVE EVALUATION OF DYNAMICALLY STABLE FORMS OF RIVER CHANNELS

Directory of Open Access Journals (Sweden)

O. V. Zenkin

2017-01-01

Full Text Available The article highlights the method of calculating the optimum curvature of the river channels using the kinematic model of the flow structure based on the concept of discrete nature of the channel process. It offers the analytic form of the equation of motion of river flow, which can be used simulation modeling for searching dynamically stable form of the river channel, and which can control water level in rivers. The source data for the illustrations of given in the article modeling methods have been served the images received from MODIS on the Terra satellite, for the lower reaches of the river Kur, which merges with the river Urmi, forming the Tunguska river – the left tributary of the Amur.The modified geometric method can be used to calculate obliquity of tangent to the curve and normal in those situations when observed on satellite imagery points are located on the coordinate of the network irregularly and when three points lying on the curve of the riverbed do not form isosceles triangle.The model assembles tangential and radial components of the forces acting on the water flow (centrifugal, friction and gravity. Curvature radius is explicitly expressed in the model through the parameter  – gradient angle relative to the axis X. As solution for the value of the angle  is searched, when the correlation function reaches its maximum. It is assumed that the riverbed shape “wrong” and could be modified so that the resulting curve better correlated with calculated curve. Morphometric dependences for macroforms allow creating series of morphological methods for the calculation of deformations and displacement of the shore in any section of meander scroll.The proposed technique has been tested also on satellite imagery of high resolution. The presented methods of calculation are used as the basis for hydrological projects of geoinformation systems oriented at prediction of morphodynamic processes and morphological evolution of river

A unified frame of predicting side effects of drugs by using linear neighborhood similarity.

Science.gov (United States)

Zhang, Wen; Yue, Xiang; Liu, Feng; Chen, Yanlin; Tu, Shikui; Zhang, Xining

2017-12-14

Drug side effects are one of main concerns in the drug discovery, which gains wide attentions. Investigating drug side effects is of great importance, and the computational prediction can help to guide wet experiments. As far as we known, a great number of computational methods have been proposed for the side effect predictions. The assumption that similar drugs may induce same side effects is usually employed for modeling, and how to calculate the drug-drug similarity is critical in the side effect predictions. In this paper, we present a novel measure of drug-drug similarity named "linear neighborhood similarity", which is calculated in a drug feature space by exploring linear neighborhood relationship. Then, we transfer the similarity from the feature space into the side effect space, and predict drug side effects by propagating known side effect information through a similarity-based graph. Under a unified frame based on the linear neighborhood similarity, we propose method "LNSM" and its extension "LNSM-SMI" to predict side effects of new drugs, and propose the method "LNSM-MSE" to predict unobserved side effect of approved drugs. We evaluate the performances of LNSM and LNSM-SMI in predicting side effects of new drugs, and evaluate the performances of LNSM-MSE in predicting missing side effects of approved drugs. The results demonstrate that the linear neighborhood similarity can improve the performances of side effect prediction, and the linear neighborhood similarity-based methods can outperform existing side effect prediction methods. More importantly, the proposed methods can predict side effects of new drugs as well as unobserved side effects of approved drugs under a unified frame.

A crawling robot driven by multi-stable origami

Science.gov (United States)

Pagano, Alexander; Yan, Tongxi; Chien, Brian; Wissa, A.; Tawfick, S.

2017-09-01

Using origami folding to construct and actuate mechanisms and machines offers attractive opportunities from small, scalable, and cheap robots to deployable adaptive structures. This paper presents the design of a bio-inspired origami crawling robot constructed by folding sheets of paper. The origami building block structure is based on the Kresling crease pattern (CP), a chiral tower with a polygonal base, which expands and contracts through coupled longitudinal and rotational motion similar to a screw. We design the origami to have multi-stable structural equilibria which can be tuned by changing the folding CP. Kinematic analysis of these structures based on rigid-plates and hinges at fold lines precludes the shape transformation associated with the bistability of the physical models. To capture the kinematics of the bi-stable origami, the panels’ deformation behavior is modeled utilizing principles of virtual folds. Virtual folds approximate material bending by hinged, rigid panels, which facilitates the development of a kinematic solution via rigid-plate rotation analysis. As such, the kinetics and stability of folded structures are investigated by assigning suitable torsional spring constants to the fold lines. The results presented demonstrate the effect of fold-pattern geometries on the snapping behavior of the bi-stable origami structure based on the Kresling pattern. The crawling robot is presented as a case study for the use of this origami structure to mimic crawling locomotion. The robot is comprised of two origami towers nested inside a paper bellow, and connected by 3D printed end plates. DC motors are used to actuate the expansion and contraction of the internal origami structures to achieve forward locomotion and steering. Beyond locomotion, this simple design can find applications in manipulators, booms, and active structures.

Stability analysis of a deterministic dose calculation for MRI-guided radiotherapy

Science.gov (United States)

Zelyak, O.; Fallone, B. G.; St-Aubin, J.

2018-01-01

Modern effort in radiotherapy to address the challenges of tumor localization and motion has led to the development of MRI guided radiotherapy technologies. Accurate dose calculations must properly account for the effects of the MRI magnetic fields. Previous work has investigated the accuracy of a deterministic linear Boltzmann transport equation (LBTE) solver that includes magnetic field, but not the stability of the iterative solution method. In this work, we perform a stability analysis of this deterministic algorithm including an investigation of the convergence rate dependencies on the magnetic field, material density, energy, and anisotropy expansion. The iterative convergence rate of the continuous and discretized LBTE including magnetic fields is determined by analyzing the spectral radius using Fourier analysis for the stationary source iteration (SI) scheme. The spectral radius is calculated when the magnetic field is included (1) as a part of the iteration source, and (2) inside the streaming-collision operator. The non-stationary Krylov subspace solver GMRES is also investigated as a potential method to accelerate the iterative convergence, and an angular parallel computing methodology is investigated as a method to enhance the efficiency of the calculation. SI is found to be unstable when the magnetic field is part of the iteration source, but unconditionally stable when the magnetic field is included in the streaming-collision operator. The discretized LBTE with magnetic fields using a space-angle upwind stabilized discontinuous finite element method (DFEM) was also found to be unconditionally stable, but the spectral radius rapidly reaches unity for very low-density media and increasing magnetic field strengths indicating arbitrarily slow convergence rates. However, GMRES is shown to significantly accelerate the DFEM convergence rate showing only a weak dependence on the magnetic field. In addition, the use of an angular parallel computing strategy

Stability analysis of a deterministic dose calculation for MRI-guided radiotherapy.

Science.gov (United States)

Zelyak, O; Fallone, B G; St-Aubin, J

2017-12-14

Modern effort in radiotherapy to address the challenges of tumor localization and motion has led to the development of MRI guided radiotherapy technologies. Accurate dose calculations must properly account for the effects of the MRI magnetic fields. Previous work has investigated the accuracy of a deterministic linear Boltzmann transport equation (LBTE) solver that includes magnetic field, but not the stability of the iterative solution method. In this work, we perform a stability analysis of this deterministic algorithm including an investigation of the convergence rate dependencies on the magnetic field, material density, energy, and anisotropy expansion. The iterative convergence rate of the continuous and discretized LBTE including magnetic fields is determined by analyzing the spectral radius using Fourier analysis for the stationary source iteration (SI) scheme. The spectral radius is calculated when the magnetic field is included (1) as a part of the iteration source, and (2) inside the streaming-collision operator. The non-stationary Krylov subspace solver GMRES is also investigated as a potential method to accelerate the iterative convergence, and an angular parallel computing methodology is investigated as a method to enhance the efficiency of the calculation. SI is found to be unstable when the magnetic field is part of the iteration source, but unconditionally stable when the magnetic field is included in the streaming-collision operator. The discretized LBTE with magnetic fields using a space-angle upwind stabilized discontinuous finite element method (DFEM) was also found to be unconditionally stable, but the spectral radius rapidly reaches unity for very low-density media and increasing magnetic field strengths indicating arbitrarily slow convergence rates. However, GMRES is shown to significantly accelerate the DFEM convergence rate showing only a weak dependence on the magnetic field. In addition, the use of an angular parallel computing strategy

Stable rotating dipole solitons in nonlocal media

DEFF Research Database (Denmark)

Lopez-Aguayo, Servando; Skupin, Stefan; Desyatnikov, Anton S.

2006-01-01

We present the first example of stable rotating two-soliton bound states in nonlinear optical media with nonlocal response. We show that, in contrast to media with local response, nonlocality opens possibilities to generate stable azimuthons.......We present the first example of stable rotating two-soliton bound states in nonlinear optical media with nonlocal response. We show that, in contrast to media with local response, nonlocality opens possibilities to generate stable azimuthons....

Stable bromine isotopic composition of methyl bromide released from plant matter

Science.gov (United States)

Horst, Axel; Holmstrand, Henry; Andersson, Per; Thornton, Brett F.; Wishkerman, Asher; Keppler, Frank; Gustafsson, Örjan

2014-01-01

Methyl bromide (CH3Br) emitted from plants constitutes a natural source of bromine to the atmosphere, and is a component in the currently unbalanced global CH3Br budget. In the stratosphere, CH3Br contributes to ozone loss processes. Studies of stable isotope composition may reduce uncertainties in the atmospheric CH3Br budget, but require well-constrained isotope fingerprints of the source end members. Here we report the first measurements of stable bromine isotopes (δ81Br) in CH3Br from abiotic plant emissions. Incubations of both KBr-fortified pectin, a ubiquitous cell-stabilizing macromolecule, and of a natural halophyte (Salicornia fruticosa), yielded an enrichment factor (ε) of -2.00 ± 0.23‰ (1σ, n = 8) for pectin and -1.82 ± 0.02‰ (1σ, n = 4) for Salicornia (the relative amount of the heavier 81Br was decreased in CH3Br compared to the substrate salt). For short incubations, and up to 10% consumption of the salt substrate, this isotope effect was similar for temperatures from 30 up to 300 °C. For longer incubations of up to 90 h at 180 °C the δ81Br values increased from -2‰ to 0‰ for pectin and to -1‰ for Salicornia. These δ81Br source signatures of CH3Br formation from plant matter combine with similar data for carbon isotopes to facilitate multidimensional isotope diagnostics of the CH3Br budget.

First-principles calculations of two cubic fluoropervskite compounds: RbFeF3 and RbNiF3

International Nuclear Information System (INIS)

Mubarak, A.A.; Al-Omari, Saleh

2015-01-01

We present first-principles calculations of the structural, elastic, electronic, magnetic and optical properties for RbFeF 3 and RbNiF 3 . The full-potential linear augmented plan wave (FP-LAPW) method within the density functional theory was utilized to perform the present calculations. We employed the generalized gradient approximation as exchange-correlation potential. It was found that the calculated analytical lattice parameters agree with previous studies. The analysis of elastic constants showed that the present compounds are elastically stable and anisotropic. Moreover, both compounds are classified as a ductile compound. The calculations of the band structure and density functional theory revealed that the RbFeF 3 compound has a half-metallic behavior while the RbNiF 3 compound has a semiconductor behavior with indirect (M–Γ) band gap. The ferromagnetic behavior was studied for both compounds. The optical properties were calculated for the radiation of up to 40 eV. A beneficial optics technology is predicted as revealed from the optical spectra. - Highlights: • RbFeF 3 and RbNiCl 3 compounds are elastically stable. • RbFeF 3 and RbNiCl 3 compounds are classified as a ductile compound. • The RbFeF 3 compound has a half-metallic behavior while the RbNiF 3 compound has a semiconductor behavior. • The optical properties were calculated for the radiation of up to 40 eV

FreeSASA: An open source C library for solvent accessible surface area calculations.

Science.gov (United States)

Mitternacht, Simon

2016-01-01

Calculating solvent accessible surface areas (SASA) is a run-of-the-mill calculation in structural biology. Although there are many programs available for this calculation, there are no free-standing, open-source tools designed for easy tool-chain integration. FreeSASA is an open source C library for SASA calculations that provides both command-line and Python interfaces in addition to its C API. The library implements both Lee and Richards' and Shrake and Rupley's approximations, and is highly configurable to allow the user to control molecular parameters, accuracy and output granularity. It only depends on standard C libraries and should therefore be easy to compile and install on any platform. The library is well-documented, stable and efficient. The command-line interface can easily replace closed source legacy programs, with comparable or better accuracy and speed, and with some added functionality.

Methods for stable recording of short-circuit current in a Na+-transporting epithelium.

Science.gov (United States)

Gondzik, Veronika; Awayda, Mouhamed S

2011-07-01

Epithelial Na(+) transport as measured by a variety of techniques, including the short-circuit current technique, has been described to exhibit a "rundown" phenomenon. This phenomenon manifests as time-dependent decrease of current and resistance and precludes the ability to carry out prolonged experiments aimed at examining the regulation of this transport. We developed methods for prolonged stable recordings of epithelial Na(+) transport using modifications of the short-circuit current technique and commercial Ussing-type chambers. We utilize the polarized MDCK cell line expressing the epithelial Na(+) channel (ENaC) to describe these methods. Briefly, existing commercial chambers were modified to allow continuous flow of Ringer solution and precise control of such flow. Chamber manifolds and associated plumbing were modified to allow precise temperature clamp preventing temperature oscillations. Recording electrodes were modified to eliminate the use of KCl and prevent membrane depolarization from KCl leakage. Solutions utilized standard bicarbonate-based buffers, but all gasses were prehydrated to clamp buffer osmolarity. We demonstrate that these modifications result in measurements of current and resistance that are stable for at least 2 h. We further demonstrate that drifts in osmolarity similar to those obtained before prior to our modifications can lead to a decrease of current and resistance similar to those attributed to rundown.

Image-based metal artifact reduction in x-ray computed tomography utilizing local anatomical similarity

Science.gov (United States)

Dong, Xue; Yang, Xiaofeng; Rosenfield, Jonathan; Elder, Eric; Dhabaan, Anees

2017-03-01

X-ray computed tomography (CT) is widely used in radiation therapy treatment planning in recent years. However, metal implants such as dental fillings and hip prostheses can cause severe bright and dark streaking artifacts in reconstructed CT images. These artifacts decrease image contrast and degrade HU accuracy, leading to inaccuracies in target delineation and dose calculation. In this work, a metal artifact reduction method is proposed based on the intrinsic anatomical similarity between neighboring CT slices. Neighboring CT slices from the same patient exhibit similar anatomical features. Exploiting this anatomical similarity, a gamma map is calculated as a weighted summation of relative HU error and distance error for each pixel in an artifact-corrupted CT image relative to a neighboring, artifactfree image. The minimum value in the gamma map for each pixel is used to identify an appropriate pixel from the artifact-free CT slice to replace the corresponding artifact-corrupted pixel. With the proposed method, the mean CT HU error was reduced from 360 HU and 460 HU to 24 HU and 34 HU on head and pelvis CT images, respectively. Dose calculation accuracy also improved, as the dose difference was reduced from greater than 20% to less than 4%. Using 3%/3mm criteria, the gamma analysis failure rate was reduced from 23.25% to 0.02%. An image-based metal artifact reduction method is proposed that replaces corrupted image pixels with pixels from neighboring CT slices free of metal artifacts. This method is shown to be capable of suppressing streaking artifacts, thereby improving HU and dose calculation accuracy.

Expanding the boundaries of local similarity analysis.

Science.gov (United States)

Durno, W Evan; Hanson, Niels W; Konwar, Kishori M; Hallam, Steven J

2013-01-01

Pairwise comparison of time series data for both local and time-lagged relationships is a computationally challenging problem relevant to many fields of inquiry. The Local Similarity Analysis (LSA) statistic identifies the existence of local and lagged relationships, but determining significance through a p-value has been algorithmically cumbersome due to an intensive permutation test, shuffling rows and columns and repeatedly calculating the statistic. Furthermore, this p-value is calculated with the assumption of normality -- a statistical luxury dissociated from most real world datasets. To improve the performance of LSA on big datasets, an asymptotic upper bound on the p-value calculation was derived without the assumption of normality. This change in the bound calculation markedly improved computational speed from O(pm²n) to O(m²n), where p is the number of permutations in a permutation test, m is the number of time series, and n is the length of each time series. The bounding process is implemented as a computationally efficient software package, FASTLSA, written in C and optimized for threading on multi-core computers, improving its practical computation time. We computationally compare our approach to previous implementations of LSA, demonstrate broad applicability by analyzing time series data from public health, microbial ecology, and social media, and visualize resulting networks using the Cytoscape software. The FASTLSA software package expands the boundaries of LSA allowing analysis on datasets with millions of co-varying time series. Mapping metadata onto force-directed graphs derived from FASTLSA allows investigators to view correlated cliques and explore previously unrecognized network relationships. The software is freely available for download at: http://www.cmde.science.ubc.ca/hallam/fastLSA/.

Test on Similarity between the Flooded and Optimum Moderation Conditions of the Spent Fuel Storage Pool

Energy Technology Data Exchange (ETDEWEB)

Lee, Gil Soo; Jang, Chang Sun; Woo, Sweng Woong [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

2009-05-15

In the criticality safety analysis, uncertainty and bias should be considered. The final multiplication factor including uncertainty and bias in addition to calculated k-eff should be below the administrative limit. The administrative limit of spent fuel pool is 0.95 with flooded condition (filled with unborated water), and 0.98 with optimum moderation condition (filled with foggy unborated water, usually occurs near 0.1g/cc water density) for new fuel storage. The bias is determined by comparing the calculation results of the critical experiments ever performed. It is important to choose 'good' experiments which have 'similar' condition with application. To obtain realistic bias, many experiments with similar conditions should be chosen and considered. In previous approach, same critical experiment set are used to determine bias of the flooded and optimum moderation conditions. It would be correct way if two conditions are similar. The similarity test on this paper was performed by TSUNAMI code included in SCALE5.1 package. TSUNAMI code produces sensitivity data for each nuclear reaction by using first order perturbation theory. TSUNAMI code performs forward and adjoint multigroup Monte Carlo calculation. Sensitivity data are obtained by forward and adjoint results. TSUNAMI also produces uncertainty data with sensitivity data and cross section covariance data. In this paper, similarity is determined by comparing energy of average lethargy of fission (EALF), uncertainty data, sensitivity data, and correlation coefficient which is also output of the TSUNAMI code.

Concurrent algorithms for nuclear shell model calculations

International Nuclear Information System (INIS)

Mackenzie, L.M.; Macleod, A.M.; Berry, D.J.; Whitehead, R.R.

1988-01-01

The calculation of nuclear properties has proved very successful for light nuclei, but is limited by the power of the present generation of computers. Starting with an analysis of current techniques, this paper discusses how these can be modified to map parallelism inherent in the mathematics onto appropriate parallel machines. A prototype dedicated multiprocessor for nuclear structure calculations, designed and constructed by the authors, is described and evaluated. The approach adopted is discussed in the context of a number of generically similar algorithms. (orig.)

Wavelets in self-consistent electronic structure calculations

International Nuclear Information System (INIS)

Wei, S.; Chou, M.Y.

1996-01-01

We report the first implementation of orthonormal wavelet bases in self-consistent electronic structure calculations within the local-density approximation. These local bases of different scales efficiently describe localized orbitals of interest. As an example, we studied two molecules, H 2 and O 2 , using pseudopotentials and supercells. Considerably fewer bases are needed compared with conventional plane-wave approaches, yet calculated binding properties are similar. Our implementation employs fast wavelet and Fourier transforms, avoiding evaluating any three-dimensional integral numerically. copyright 1996 The American Physical Society

Tempered stable laws as random walk limits

OpenAIRE

Chakrabarty, Arijit; Meerschaert, Mark M.

2010-01-01

Stable laws can be tempered by modifying the L\\'evy measure to cool the probability of large jumps. Tempered stable laws retain their signature power law behavior at infinity, and infinite divisibility. This paper develops random walk models that converge to a tempered stable law under a triangular array scheme. Since tempered stable laws and processes are useful in statistical physics, these random walk models can provide a basic physical model for the underlying physical phenomena.

STABLE ISOTOPE GEOCHEMISTRY OF MASSIVE ICE

Directory of Open Access Journals (Sweden)

Yurij K. Vasil’chuk

2016-01-01

Full Text Available The paper summarises stable-isotope research on massive ice in the Russian and North American Arctic, and includes the latest understanding of massive-ice formation. A new classification of massive-ice complexes is proposed, encompassing the range and variabilityof massive ice. It distinguishes two new categories of massive-ice complexes: homogeneousmassive-ice complexes have a similar structure, properties and genesis throughout, whereasheterogeneous massive-ice complexes vary spatially (in their structure and properties andgenetically within a locality and consist of two or more homogeneous massive-ice bodies.Analysis of pollen and spores in massive ice from Subarctic regions and from ice and snow cover of Arctic ice caps assists with interpretation of the origin of massive ice. Radiocarbon ages of massive ice and host sediments are considered together with isotope values of heavy oxygen and deuterium from massive ice plotted at a uniform scale in order to assist interpretation and correlation of the ice.

A similarity based agglomerative clustering algorithm in networks

Science.gov (United States)

Liu, Zhiyuan; Wang, Xiujuan; Ma, Yinghong

2018-04-01

The detection of clusters is benefit for understanding the organizations and functions of networks. Clusters, or communities, are usually groups of nodes densely interconnected but sparsely linked with any other clusters. To identify communities, an efficient and effective community agglomerative algorithm based on node similarity is proposed. The proposed method initially calculates similarities between each pair of nodes, and form pre-partitions according to the principle that each node is in the same community as its most similar neighbor. After that, check each partition whether it satisfies community criterion. For the pre-partitions who do not satisfy, incorporate them with others that having the biggest attraction until there are no changes. To measure the attraction ability of a partition, we propose an attraction index that based on the linked node's importance in networks. Therefore, our proposed method can better exploit the nodes' properties and network's structure. To test the performance of our algorithm, both synthetic and empirical networks ranging in different scales are tested. Simulation results show that the proposed algorithm can obtain superior clustering results compared with six other widely used community detection algorithms.

A manual for a Laboratory Information Management System (LIMS) for light stable isotopes

Science.gov (United States)

Coplen, Tyler B.

1998-01-01

The reliability and accuracy of isotopic data can be improved by utilizing database software to (i) store information about samples, (ii) store the results of mass spectrometric isotope-ratio analyses of samples, (iii) calculate analytical results using standardized algorithms stored in a database, (iv) normalize stable isotopic data to international scales using isotopic reference materials, and (v) generate multi-sheet paper templates for convenient sample loading of automated mass-spectrometer sample preparation manifolds. Such a database program is presented herein. Major benefits of this system include (i) an increase in laboratory efficiency, (ii) reduction in the use of paper, (iii) reduction in workload due to the elimination or reduction of retyping of data by laboratory personnel, and (iv) decreased errors in data reported to sample submitters. Such a database provides a complete record of when and how often laboratory reference materials have been analyzed and provides a record of what correction factors have been used through time. It provides an audit trail for stable isotope laboratories. Since the original publication of the manual for LIMS for Light Stable Isotopes, the isotopes 3 H, 3 He, and 14 C, and the chlorofluorocarbons (CFCs), CFC-11, CFC-12, and CFC-113, have been added to this program.

First-principles calculations on Mg/Al2CO interfaces

International Nuclear Information System (INIS)

Wang, F.; Li, K.; Zhou, N.G.

2013-01-01

The electronic structure, work of adhesion, and interfacial energy of the Mg(0 0 0 2)/Al 2 CO(0 0 0 1) interface were studied with the first-principles calculations to clarify the heterogeneous nucleation potential of Al 2 CO particles in Mg melt. AlO-terminated Al 2 CO(0 0 0 1) slabs with seven atomic layers were adopted for interfacial model geometries. Results show that the “Over O” stacking interface is more stable than the “Over Al” stacking interface due to the larger interfacial adhesion and stronger mixed ionic/metallic bond formed across the interface. The calculated interfacial energies of Mg/Al 2 CO depend on the value of Δμ Al + Δμ C , proving Al 2 CO particles can exist stably in Mg–Al alloys melt and become effective nucleation substrate for α-Mg grain under certain conditions. The above calculation and corresponding analysis provide strong theoretical support to the Al 2 CO nucleus hypothesis from interfacial atomic structure and atomic bonding energy considerations.

ADHD and math - The differential effect on calculation and estimation.

Science.gov (United States)

Ganor-Stern, Dana; Steinhorn, Ofir

2018-05-31

Adults with ADHD were compared to controls when solving multiplication problems exactly and when estimating the results of multidigit multiplication problems relative to reference numbers. The ADHD participants were slower than controls in the exact calculation and in the estimation tasks, but not less accurate. The ADHD participants were similar to controls in showing enhanced accuracy and speed for smaller problem sizes, for trials in which the reference numbers were smaller (vs. larger) than the exact answers and for reference numbers that were far (vs. close) from the exact answer. The two groups similarly used the approximated calculation and the sense of magnitude strategies. They differed however in strategy execution, mainly of the approximated calculation strategy, which requires working memory resources. The increase in reaction time associated with using the approximated calculation strategy was larger for the ADHD compared to the control participants. Thus, ADHD seems to selectively impair calculation processes in estimation tasks that rely on working memory, but it does not hamper estimation skills that are based on sense of magnitude. The educational implications of these findings are discussed. Copyright © 2018. Published by Elsevier B.V.

Environmental controls on stable isotopes of precipitation in Lanzhou, China: An enhanced network at city scale.

Science.gov (United States)

Chen, Fenli; Zhang, Mingjun; Wang, Shengjie; Qiu, Xue; Du, Mingxia

2017-12-31

Stable hydrogen and oxygen isotopes in precipitation are very sensitive to environmental changes, and can record evolution of water cycle. The Lanzhou city in northwestern China is jointly influenced by the monsoon and westerlies, which is considered as a vital platform to investigate the moisture regime for this region. Since 2011, an observation network of stable isotopes in precipitation was established across the city, and four stations were included in the network. In 2013, six more sampling stations were added, and the enhanced network might provide more meaningful information on spatial incoherence and synoptic process. This study focused on the variations of stable isotopes (δ 18 O and δD) in precipitation and the environmental controls based on the 1432 samples in this enhanced network from April 2011 to October 2014. The results showed that the precipitation isotopes had great spatial diversity, and the neighboring stations may present large difference in δD and δ 18 O. Based on the observation at ten sampling sites, an isoscape in precipitation was calculated, and the method is useful to produce isoscape for small domains. The temperature effect and amount effect was reconsidered based on the dataset. Taking meteorological parameters (temperature, precipitation amount, relative humidity, water vapor pressure and dew point temperature) as variables in a multi-linear regression, the result of coefficients for these meteorological parameters were calculated. Some cases were also involved in this study, and the isotopic characteristics during one event or continuous days were used to understand the environmental controls on precipitation isotopes. Copyright © 2017 Elsevier B.V. All rights reserved.

Computer Programs for Uncertainty Analysis of Solubility Calculations: Windows Version and Other Updates of the SENVAR and UNCCON. Program Description and Handling Instructions

International Nuclear Information System (INIS)

Ekberg, Christian; Oedegaard Jensen, Arvid

2004-04-01

Uncertainty and sensitivity analysis is becoming more and more important for testing the reliability of computer predictions. Solubility estimations play important roles for, e.g. underground repositories for nuclear waste, other hazardous materials as well as simple dissolution problems in general or industrial chemistry applications. The calculated solubility of a solid phase is dependent on several input data, e.g. the stability constants for the complexes formed in the solution, the enthalpies of reaction for the formation of these complexes and also the content of other elements in the water used for the dissolution. These input data are determined with more or less accuracy and thus the results of the calculations are uncertain. For the purpose of investigating the effects of these uncertainties several computer programs were developed in the 1990s, e.g. SENVAR, MINVAR and UNCCON. Of these SENVAR and UNCCON now exist as windows programs based on a newer speciation code. In this report we have given an explanation of how the codes work and also given some test cases as handling instructions. The results are naturally similar to the previous ones but the advantages are easier handling and more stable solubility calculations. With these improvements the programs presented here will be more publically accessible

Extension of frequency-based dissimilarity for retrieving similar plasma waveforms

International Nuclear Information System (INIS)

Hochin, Teruhisa; Koyama, Katsumasa; Nakanishi, Hideya; Kojima, Mamoru

2008-01-01

Some computer-aided assistance in finding the waveforms similar to a waveform has become indispensable for accelerating data analysis in the plasma experiments. For the slowly-varying waveforms and those having time-sectional oscillation patterns, the methods using the Fourier series coefficients of waveforms in calculating the dissimilarity have successfully improved the performance in retrieving similar waveforms. This paper treats severely-varying waveforms, and proposes two extensions to the dissimilarity of waveforms. The first extension is to capture the difference of the importance of the Fourier series coefficients of waveforms against frequency. The second extension is to consider the outlines of waveforms. The correctness of the extended dissimilarity is experimentally evaluated by using the metrics used in evaluating that of the information retrieval, i.e. precision and recall. The experimental results show that the extended dissimilarity could improve the correctness of the similarity retrieval of plasma waveforms

Stable isotopes as tracers for radionuclides

International Nuclear Information System (INIS)

Giussani, A.; Bartolo, D. de; Cantone, M.C.; Zilker, T.; Greim, H.; Roth, P.; Werner, E.

2000-01-01

The assessment of internal dose after incorporation of radionuclides requires as input data the knowledge of the uptake into the systemic circulation, the distribution and retention in selected organs, the excretion pathways. Realistic biokinetic models are needed for reliable estimates, correct interpretation of bioassay measurements, appropriate decision-making in radiological emergencies. For many radionuclides, however, the biokinetic models currently recommended are often generic, with very few specific parameters, due to the lack of experimental human data. The use of stable isotopes as tracers enables to determine important biokinetic parameters such as the fractional uptake, the clearance from the transfer compartment, the excretion patterns under experimentally controlled conditions. The subjects investigated are not exposed to any radiation risk, so this technique enables to obtain biokinetic information also for sensitive groups of the population, such as children or pregnant women, and to determine age- and gender-specific model parameters. Sophisticated analytical method, able to discriminate and quantitate different isotopes of the same element in complex matrices such as biological fluids, have to be purposely developed and optimized. Activation analysis and mass spectrometry are the most proper techniques of choice. Experiments were conducted with molybdenum, tellurium, ruthenium and zirconium. Activation analysis with protons, thermal ionization mass spectrometry and inductively coupled mass spectrometry were employed for the determination of stable isotopes of these elements in blood plasma and urine samples. Several deviations from the predictions of the ICRP models were observed. For example, modifications to the current model for molybdenum have been suggested on the basis of these results. The dose coefficients to the target regions calculated with this proposed model are even of one order of magnitude different than the ICRP estimates

Similarities and differences in vapor explosion criteria

International Nuclear Information System (INIS)

Cronenberg, A.W.

1978-01-01

An overview of recent ideas pertaining to vapor explosion criteria indicates that in general sense, a consensus of opinion is emerging on the conditions applicable to explosive vaporization. Experimental and theoretical work has lead a number of investigators to the formulation of such conditions which are quite similar in many respects, although the quantitative details of the model formulation of such conditions are somewhat different. All model concepts are consistent in that an initial period of stable film boiling, separating molten fuel from coolant, is considered necessary (at least for large-scale interactions and efficient intermixing), with subsequent breakdown of film boiling due to pressure and/or thermal effects, followed by intimate fuel-coolant contact and a rapid vaporization process which is sufficient to cause shock pressurization. Although differences arise as to the conditions for and the energetics associated with film boiling destabilization and the mode and energetics of fragmentation and intermixing. However, the principal area of difference seems to be the question of what constitutes the requisite condition(s) for rapid vapor production to cause shock pressurization

Temperature and Humidity Control in Livestock Stables

DEFF Research Database (Denmark)

Hansen, Michael; Andersen, Palle; Nielsen, Kirsten M.

2010-01-01

The paper describes temperature and humidity control of a livestock stable. It is important to have a correct air flow pattern in the livestock stable in order to achieve proper temperature and humidity control as well as to avoid draught. In the investigated livestock stable the air flow...

The effects of lidoflazine on exercise performance and thallium stress scintigraphy in patients with stable angina pectoris

International Nuclear Information System (INIS)

Shapiro, W.; Narahara, K.A.; Park, J.

1982-01-01

Lidoflazine is a synthetic drug with calcium-channel blocking effects. In a 7-month study, 36 patients with stable angina pectoris were tested during a 3-month single-blind placebo phase. Nineteen were then randomized by double-blind methods to lidoflazine and 17 to placebo therapy. The lidoflazine group had a significant (p < 0.01) reduction in anginal attacks; the placebo group did not. Exercise testing demonstrated that lidoflazine therapy was associated with a 34% increase in total work performance and a 15.6% increase in peak calculated oxygen uptake during double-blind treatment (both p < 0.004 compared with the placebo group). Heart rate was significantly reduced at submaximal levels of exercise during lidoflazine therapy (p < 0.04). Nitroglycerin consumption and electrocardiographic changes at the end of exercise did not change during the double-blind phase. In a second study of six similar patients, single-blind administration of lidoflazine was associated with improved myocardial perfusion during exercise as determined by thallium-201 stress scintigraphy. These studies demonstrate that lidoflazine therapy is associated with relief of angina, an increased physical work capacity, and improved regional myocardial perfusion during exercise

The effects of lidoflazine on exercise performance and thallium stress scintigraphy in patients with stable angina pectoris

International Nuclear Information System (INIS)

Shapiro, W.; Narahara, K.A.; Park, J.

1982-01-01

Lidoflazine is a synthetic drug with calcium-channel blocking effects. In a 7-month study, 36 patients with stable angina pectoris were tested during a 3-month single-blind placebo phase. Nineteen were then randomized by double-blind methods to lidoflazine and 17 to placebo therapy. The lidoflazine group had a significant (p less than 0.01) reduction in anginal attacks; the placebo group did not. Exercise testing demonstrated that lidoflazine therapy was associated with a 34% increase in total work performance and a 15.6% increase in peak calculated oxygen uptake during double-blind treatment (both p less than 0.004 compared with the placebo group). Heart rate was significantly reduced at submaximal levels of exercise during lidoflazine therapy (p less than 0.04). Nitroglycerin consumption and electrocardiographic changes at the end of exercise did not change during the double-blind phase. In a second study of six similar patients, single-blind administration of lidoflazine was associated with improved myocardial perfusion during exercise as determined by thallium-201 stress scintigraphy. These studies demonstrate that lidoflazine therapy is associated with relief of angina, an increased physical work capacity, and improved regional myocardial perfusion during exercise

Elastic and thermal properties of silicon compounds from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Hou, Haijun; Zhu, H.J. [Yancheng Institute of Technology (China). School of Materials Engineering; Cheng, W.H. [Yancheng Institute of Technology (China). Dept. of Light Chemical Engineering; Xie, L.H. [Sichuan Normal Univ., Chengdu (China). Inst. of Solid State Physics and School of Physics and Electronic Engineering

2016-11-01

The structural and elastic properties of V-Si (V{sub 3}Si, VSi{sub 2}, V{sub 5}Si{sub 3}, and V{sub 6}Si{sub 5}) compounds are studied by using first-principles method. The calculated equilibrium lattice parameters and formation enthalpy are in good agreement with the available experimental data and other theoretical results. The calculated results indicate that the V-Si compounds are mechanically stable. Elastic properties including bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also obtained. The elastic anisotropies of V-Si compounds are investigated via the three-dimensional (3D) figures of directional dependences of reciprocals of Young's modulus. Finally, based on the quasi-harmonic Debye model, the internal energy, Helmholtz free energy, entropy, heat capacity, thermal expansion coefficient, Grueneisen parameter, and Debye temperature of V-Si compounds have been calculated.

Low-Mode Conformational Search Method with Semiempirical Quantum Mechanical Calculations: Application to Enantioselective Organocatalysis.

Science.gov (United States)

Kamachi, Takashi; Yoshizawa, Kazunari

2016-02-22

A conformational search program for finding low-energy conformations of large noncovalent complexes has been developed. A quantitatively reliable semiempirical quantum mechanical PM6-DH+ method, which is able to accurately describe noncovalent interactions at a low computational cost, was employed in contrast to conventional conformational search programs in which molecular mechanical methods are usually adopted. Our approach is based on the low-mode method whereby an initial structure is perturbed along one of its low-mode eigenvectors to generate new conformations. This method was applied to determine the most stable conformation of transition state for enantioselective alkylation by the Maruoka and cinchona alkaloid catalysts and Hantzsch ester hydrogenation of imines by chiral phosphoric acid. Besides successfully reproducing the previously reported most stable DFT conformations, the conformational search with the semiempirical quantum mechanical calculations newly discovered a more stable conformation at a low computational cost.

Thermodynamic Calculations for Systems Biocatalysis

DEFF Research Database (Denmark)

Abu, Rohana; Gundersen, Maria T.; Woodley, John M.

2015-01-01

the transamination of a pro-chiral ketone into a chiral amine (interesting in many pharmaceutical applications). Here, the products are often less energetically stable than the reactants, meaning that the reaction may be thermodynamically unfavourable. As in nature, such thermodynamically-challenged reactions can...... on the basis of kinetics. However, many of the most interesting non-natural chemical reactions which could potentially be catalysed by enzymes, are thermodynamically unfavourable and are thus limited by the equilibrium position of the reaction. A good example is the enzyme ω-transaminase, which catalyses...... be altered by coupling with other reactions. For instance, in the case of ω-transaminase, such a coupling could be with alanine dehydrogenase. Herein, the aim of this work is to identify thermodynamic bottlenecks within a multi-enzyme process, using group contribution method to calculate the Gibbs free...

H + Ar collisions. II. Differential scattering calculations

International Nuclear Information System (INIS)

Neumann, H.; Le, T.Q.; van Zyl, B.

1977-01-01

Differential elastic scattering cross-section calculations have been made for H + Ar collisions using classical and eikonal techniques. The calculation procedures are described and compared with existing experimental data. It is shown that the angular distribution of the elastic cross section is similar to that obtained for proton production in such collisions at energies above about 200 eV. By combining the angular dependence of the computed elastic cross section with experimental measurements described in the preceding paper, absolute differential cross sections for proton production have been determined

Structural similarity between β(3)-peptides synthesized from β(3)-homo-amino acids and aspartic acid monomers.

Science.gov (United States)

Ahmed, Sahar; Sprules, Tara; Kaur, Kamaljit

2014-07-01

Formation of stable secondary structures by oligomers that mimic natural peptides is a key asset for enhanced biological response. Here we show that oligomeric β(3)-hexapeptides synthesized from L-aspartic acid monomers (β(3)-peptides 1, 5a, and 6) or homologated β(3)-amino acids (β(3)-peptide 2), fold into similar stable 14-helical secondary structures in solution, except that the former form right-handed 14-helix and the later form left-handed 14-helix. β(3)-Peptides from L-Asp monomers contain an additional amide bond in the side chains that provides opportunities for more hydrogen bonding. However, based on the NMR solution structures, we found that β(3)-peptide from L-Asp monomers (1) and from homologated amino acids (2) form similar structures with no additional side-chain interactions. These results suggest that the β(3)-peptides derived from L-Asp are promising peptide-mimetics that can be readily synthesized using L-Asp monomers as well as the right-handed 14-helical conformation of these β(3)-peptides (such as 1 and 6) may prove beneficial in the design of mimics for right-handed α-helix of α-peptides. © 2014 Wiley Periodicals, Inc.

The Myopic Stable Set for Social Environments

NARCIS (Netherlands)

Demuynck, Thomas; Herings, P. Jean-Jacques; Saulle, Riccardo; Seel, Christian

2017-01-01

We introduce a new solution concept for models of coalition formation, called the myopic stable set. The myopic stable set is defined for a very general class of social environments and allows for an infinite state space. We show that the myopic stable set exists and is non-empty. Under minor

Stable isotope analysis in primatology: a critical review.

Science.gov (United States)

Sandberg, Paul A; Loudon, James E; Sponheimer, Matt

2012-11-01

Stable isotope analysis has become an important tool in ecology over the last 25 years. A wealth of ecological information is stored in animal tissues in the relative abundances of the stable isotopes of several elements, particularly carbon and nitrogen, because these isotopes navigate through ecological processes in predictable ways. Stable carbon and nitrogen isotopes have been measured in most primate taxonomic groups and have yielded information about dietary content, dietary variability, and habitat use. Stable isotopes have recently proven useful for addressing more fine-grained questions about niche dynamics and anthropogenic effects on feeding ecology. Here, we discuss stable carbon and nitrogen isotope systematics and critically review the published stable carbon and nitrogen isotope data for modern primates with a focus on the problems and prospects for future stable isotope applications in primatology. © 2012 Wiley Periodicals, Inc.

The Calculation of Flooding Level using CFX Code

International Nuclear Information System (INIS)

Oh, Seo Bin; Kim, Keon Yeop; Lee, Hyung Ho

2015-01-01

The plant design should consider internal flooding by postulated pipe ruptures, component failures, actuation of spray systems, and improper system alignment. The flooding causes failure of safety-related equipment and affects the integrity of the structure. The safety-related equipment should be installed above the flood level for protection against flooding effects. Conservative estimates of the flood level are important when a DBA occurs. The flooding level can be calculated simply applying Bernoulli's equation. However, in this study, a realistic calculation is performed with ANSYS CFX code. In calculation with CFX, air-core vortex phenomena, and turbulent flow can be simulated, which cannot be calculated analytically. The flooding level is evaluated by analytical calculation and CFX analysis for an assumed condition. The flood level is calculated as 0.71m and 1.1m analytically and with CFX simulation, respectively. Comparing the analytical calculation and simulation, they are similar, but the analytical calculation is not conservative. There are many factors reducing the drainage capacity such as air-core vortex, intake of air, and turbulent flow. Therefore, in case of flood level evaluation by analytical calculation, a sufficient safety margin should be considered

Stable cycling in discrete-time genetic models.

OpenAIRE

Hastings, A

1981-01-01

Examples of stable cycling are discussed for two-locus, two-allele, deterministic, discrete-time models with constant fitnesses. The cases that cycle were found by using numerical techniques to search for stable Hopf bifurcations. One consequence of the results is that apparent cases of directional selection may be due to stable cycling.

Stable cycling in discrete-time genetic models.

Science.gov (United States)

Hastings, A

1981-11-01

Examples of stable cycling are discussed for two-locus, two-allele, deterministic, discrete-time models with constant fitnesses. The cases that cycle were found by using numerical techniques to search for stable Hopf bifurcations. One consequence of the results is that apparent cases of directional selection may be due to stable cycling.

Local Search Approaches in Stable Matching Problems

Directory of Open Access Journals (Sweden)

Toby Walsh

2013-10-01

Full Text Available The stable marriage (SM problem has a wide variety of practical applications, ranging from matching resident doctors to hospitals, to matching students to schools or, more generally, to any two-sided market. In the classical formulation, n men and n women express their preferences (via a strict total order over the members of the other sex. Solving an SM problem means finding a stable marriage where stability is an envy-free notion: no man and woman who are not married to each other would both prefer each other to their partners or to being single. We consider both the classical stable marriage problem and one of its useful variations (denoted SMTI (Stable Marriage with Ties and Incomplete lists where the men and women express their preferences in the form of an incomplete preference list with ties over a subset of the members of the other sex. Matchings are permitted only with people who appear in these preference lists, and we try to find a stable matching that marries as many people as possible. Whilst the SM problem is polynomial to solve, the SMTI problem is NP-hard. We propose to tackle both problems via a local search approach, which exploits properties of the problems to reduce the size of the neighborhood and to make local moves efficiently. We empirically evaluate our algorithm for SM problems by measuring its runtime behavior and its ability to sample the lattice of all possible stable marriages. We evaluate our algorithm for SMTI problems in terms of both its runtime behavior and its ability to find a maximum cardinality stable marriage. Experimental results suggest that for SM problems, the number of steps of our algorithm grows only as O(n log(n, and that it samples very well the set of all stable marriages. It is thus a fair and efficient approach to generate stable marriages. Furthermore, our approach for SMTI problems is able to solve large problems, quickly returning stable matchings of large and often optimal size, despite the

Surface regulated arsenenes as Dirac materials: From density functional calculations

International Nuclear Information System (INIS)

Yuan, Junhui; Xie, Qingxing; Yu, Niannian; Wang, Jiafu

2017-01-01

Highlights: • The presence of Dirac cones in chemically decorated buckled arsenene AsX (X = CN, NC, NCO, NCS, and NCSe) has been revealed. • First-principles calculations show that all these chemically decorated arsenenes are kinetically stable in defending thermal fluctuations in room temperature. - Abstract: Using first principle calculations based on density functional theory (DFT), we have systematically investigated the structure stability and electronic properties of chemically decorated arsenenes, AsX (X = CN, NC, NCO, NCS and NCSe). Phonon dispersion and formation energy analysis reveal that all the five chemically decorated buckled arsenenes are energetically favorable and could be synthesized. Our study shows that wide-bandgap arsenene would turn into Dirac materials when functionalized by -X (X = CN, NC, NCO, NCS and NCSe) groups, rendering new promises in next generation high-performance electronic devices.

Stable beams

CERN Multimedia

2015-01-01

Stable beams: two simple words that carry so much meaning at CERN. When LHC page one switched from "squeeze" to "stable beams" at 10.40 a.m. on Wednesday, 3 June, it triggered scenes of jubilation in control rooms around the CERN sites, as the LHC experiments started to record physics data for the first time in 27 months. This is what CERN is here for, and it’s great to be back in business after such a long period of preparation for the next stage in the LHC adventure.   I’ve said it before, but I’ll say it again. This was a great achievement, and testimony to the hard and dedicated work of so many people in the global CERN community. I could start to list the teams that have contributed, but that would be a mistake. Instead, I’d simply like to say that an achievement as impressive as running the LHC – a machine of superlatives in every respect – takes the combined effort and enthusiasm of everyone ...

Stable isotope research pool inventory

International Nuclear Information System (INIS)

1980-12-01

This report contains a listing of electromagnetically separated stable isotopes which are available for distribution within the United States for non-destructive research use from the Oak Ridge National Laboratory on a loan basis. This inventory includes all samples of stable isotopes in the Materials Research Collection and does not designate whether a sample is out on loan or in reprocessing

Understanding similarity of groundwater systems with empirical copulas

Science.gov (United States)

Haaf, Ezra; Kumar, Rohini; Samaniego, Luis; Barthel, Roland

2016-04-01

Within the classification framework for groundwater systems that aims for identifying similarity of hydrogeological systems and transferring information from a well-observed to an ungauged system (Haaf and Barthel, 2015; Haaf and Barthel, 2016), we propose a copula-based method for describing groundwater-systems similarity. Copulas are an emerging method in hydrological sciences that make it possible to model the dependence structure of two groundwater level time series, independently of the effects of their marginal distributions. This study is based on Samaniego et al. (2010), which described an approach calculating dissimilarity measures from bivariate empirical copula densities of streamflow time series. Subsequently, streamflow is predicted in ungauged basins by transferring properties from similar catchments. The proposed approach is innovative because copula-based similarity has not yet been applied to groundwater systems. Here we estimate the pairwise dependence structure of 600 wells in Southern Germany using 10 years of weekly groundwater level observations. Based on these empirical copulas, dissimilarity measures are estimated, such as the copula's lower- and upper corner cumulated probability, copula-based Spearman's rank correlation - as proposed by Samaniego et al. (2010). For the characterization of groundwater systems, copula-based metrics are compared with dissimilarities obtained from precipitation signals corresponding to the presumed area of influence of each groundwater well. This promising approach provides a new tool for advancing similarity-based classification of groundwater system dynamics. Haaf, E., Barthel, R., 2015. Methods for assessing hydrogeological similarity and for classification of groundwater systems on the regional scale, EGU General Assembly 2015, Vienna, Austria. Haaf, E., Barthel, R., 2016. An approach for classification of hydrogeological systems at the regional scale based on groundwater hydrographs EGU General Assembly

Semantic Annotation of Unstructured Documents Using Concepts Similarity

Directory of Open Access Journals (Sweden)

Fernando Pech

2017-01-01

Full Text Available There is a large amount of information in the form of unstructured documents which pose challenges in the information storage, search, and retrieval. This situation has given rise to several information search approaches. Some proposals take into account the contextual meaning of the terms specified in the query. Semantic annotation technique can help to retrieve and extract information in unstructured documents. We propose a semantic annotation strategy for unstructured documents as part of a semantic search engine. In this proposal, ontologies are used to determine the context of the entities specified in the query. Our strategy for extracting the context is focused on concepts similarity. Each relevant term of the document is associated with an instance in the ontology. The similarity between each of the explicit relationships is measured through the combination of two types of associations: the association between each pair of concepts and the calculation of the weight of the relationships.

Stability, electronic structures, and mechanical properties of Fe–Mn–Al system from first-principles calculations

International Nuclear Information System (INIS)

Liu Ya-Hui; Chong Xiao-Yu; Jiang Ye-Hua; Feng Jing

2017-01-01

The stability, electronic structures, and mechanical properties of the Fe–Mn–Al system were determined by first-principles calculations. The formation enthalpy and cohesive energy of these Fe–Mn–Al alloys are negative and show that the alloys are thermodynamically stable. Fe 3 Al, with the lowest formation enthalpy, is the most stable compound in the Fe–Mn–Al system. The partial density of states, total density of states, and electron density distribution maps of the Fe– Mn–Al alloys were analyzed. The bonding characteristics of these Fe–Mn–Al alloys are mainly combinations of covalent bonding and metallic bonds. The stress-strain method and Voigt–Reuss–Hill approximation were used to calculate the elastic constants and moduli, respectively. Fe 2.5 Mn 0.5 Al has the highest bulk modulus, 234.5 GPa. Fe 1.5 Mn 1.5 Al has the highest shear modulus and Young’s modulus, with values of 98.8 GPa and 259.2 GPa, respectively. These Fe–Mn–Al alloys display disparate anisotropies due to the calculated different shape of the three-dimensional curved surface of the Young’s modulus and anisotropic index. Moreover, the anisotropic sound velocities and Debye temperatures of these Fe–Mn–Al alloys were explored. (paper)

Application of stable isotopes and isotope pattern deconvolution-ICPMS to speciation of endogenous and exogenous Fe and Se in rats

International Nuclear Information System (INIS)

Gonzalez Iglesias, H.; Fernandez-Sanchez, M.L.; Garcia Alonso, J.I.; Lopez Sastre, J.B.; Sanz-Medel, A.

2009-01-01

Full text: Enriched stable isotopes are crucial to study essential trace element metabolism (e.g. Se, Fe) in biological systems. Measuring isotope ratios by ICPMS and using appropriate mathematical calculations, based on isotope pattern deconvolution (IPD) may provide quantitative data about endogenous and exogenous essential or toxic elements and their metabolism. In this work, IPD was applied to explore the feasibility of using two Se (or Fe) enriched stable isotopes, one as metabolic tracer and the other as quantitation tracer, to discriminate between the endogenous and supplemented Se (or Fe) species in rat fluids by collision cell ICPMS coupled to HPLC separation. (author)

Structural, mechanical and electronic properties of OsTM and TMOs{sub 2} (TM = Ti, Zr and Hf): First-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Liu, Qi-Jun, E-mail: qijunliu@home.swjtu.edu.cn [Bond and Band Engineering Group, Institute of High Temperature and High Pressure Physics, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhang, Ning-Chao; Liu, Fu-Sheng [Bond and Band Engineering Group, Institute of High Temperature and High Pressure Physics, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Liu, Zheng-Tang [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an, Shaanxi 710072 (China)

2014-03-15

Highlights: • OsTM and TMOs{sub 2} compounds have no superhard character. • These compounds are mechanically stable and behave in ductile manner. • OsTM has a mixture of covalent-ionic and metallic character. -- Abstract: The first-principles calculations have been performed to study the structural, elastic, mechanical and electronic properties of cubic OsTM (TM = Ti, Zr, and Hf) and hexagonal TMOs{sub 2} compounds. The calculated structural parameters are in good agreement with the available experimental data. To the best of our knowledge, the elastic constants of OsTM and TMOs{sub 2} compounds have been obtained for the first time. The calculated elastic and mechanical properties show that these compounds have no superhard character. These compounds are mechanically stable and behave in ductile manner. The electronic band structures and densities of states of OsTM and TMOs{sub 2} compounds have been analysed. OsTM has a mixture of covalent-ionic and metallic character, and TMOs{sub 2} has strong metallic nature.

Stable isotopes of authigenic minerals in variably-saturated fractured tuff

International Nuclear Information System (INIS)

Weber, D.S.; Evans, D.D.

1988-11-01

Identifying stable isotope variation and mineralogical changes in fractured rock may help establish the history of climatic and geomorphological processes that might affect the isolation properties of a waste repository site. This study examines the use of the stable isotope ratios of oxygen ( 18 O/ 16 O) and carbon ( 13 C/ 12 C) in authigenic minerals as hydrogeochemical tools tracing low-temperature rock-water interaction in variably-saturated fractured stuff. Isotopic compositions of fracture-filling and rock matrix minerals in the Apache Leap tuff, near Superior, Arizona were concordant with geothermal temperatures and in equilibrium with water isotopically similar to present-day meteoric water and groundwater. Oxygen and carbon isotope ratios of fracture-filling, in unsaturated fractured tuff, displayed an isotopic gradient believed to result from near-surface isotopic enrichment due to evaporation rather than the effects of rock-water interaction. Oxygen isotope ratios of rock matrix opal samples exhibited an isotopic gradient believed to result from, leaching and reprecipitation of silica at depth. Methods and results can be used to further define primary flowpaths and the movement of water in variably-saturated fractured rock. 71 refs., 23 figs., 3 tabs

Stable isotopes of authigenic minerals in variably-saturated fractured tuff

Energy Technology Data Exchange (ETDEWEB)

Weber, D.S.; Evans, D.D.

1988-11-01

Identifying stable isotope variation and mineralogical changes in fractured rock may help establish the history of climatic and geomorphological processes that might affect the isolation properties of a waste repository site. This study examines the use of the stable isotope ratios of oxygen ({sup 18}O/{sup 16}O) and carbon ({sup 13}C/{sup 12}C) in authigenic minerals as hydrogeochemical tools tracing low-temperature rock-water interaction in variably-saturated fractured stuff. Isotopic compositions of fracture-filling and rock matrix minerals in the Apache Leap tuff, near Superior, Arizona were concordant with geothermal temperatures and in equilibrium with water isotopically similar to present-day meteoric water and groundwater. Oxygen and carbon isotope ratios of fracture-filling, in unsaturated fractured tuff, displayed an isotopic gradient believed to result from near-surface isotopic enrichment due to evaporation rather than the effects of rock-water interaction. Oxygen isotope ratios of rock matrix opal samples exhibited an isotopic gradient believed to result from, leaching and reprecipitation of silica at depth. Methods and results can be used to further define primary flowpaths and the movement of water in variably-saturated fractured rock. 71 refs., 23 figs., 3 tabs.

THERMAL SIMILARITY OF SPACE OBJECTS OF STANDARD CONFIGURATIONS

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A. M. Dzitoev

2014-03-01

Full Text Available Thermal similarity of objects of various configuration is defined by equality of their stationary surface average temperatures in the Earth shadow that is equivalent to equality of their effective irradiance coefficients by own thermal radiation of the Earth. Cone, cylinder and sphere are chosen among standard configurations. Unlike two last figures, calculation of irradiance coefficient for conic object is the most difficult and contains a number of uncertainties. The method of calculation for integrated and effective irradiance coefficients of space object with a conic form is stated which is typical for fragments of spacecrafts. Integrated irradiance coefficients define the average thermal balance on a lateral surface of the cylinder and cone, and also full power balance on a sphere surface. Effective irradiance coefficients define a full falling specific stream of the Earth’s radiation on the whole surface of cylindrical or conic object taking into account their bases. By data about effective irradiance coefficients, the average stationary temperatures of space objects in the Earth shadow are defined, as well as on the trajectory part illuminated by the Sun taking into account two additional components of power balance – direct sunlight and reflected by the Earth. Researches were conducted in the height change range for an orbit from 200 to 40000 km depending on a tilt angle of the cylinder and cone axis relative to zenith-nadir line. Similarity conditions for the cylinder and cone are defined at equal ratio sizes of the figure height to base diameter.

Procedures of grasp92 code to calculate accurate Dirac-Coulomb energy for the ground sate of helium atom

International Nuclear Information System (INIS)

Utsumi, Takayuki; Sasaki, Akira

2000-02-01

The procedures of grasp92 code to calculate accurate (relative error nearly equal 10 -7 ) eigenvalue for the ground sate of helium atom of the Dirac-Coulomb Hamiltonian are presented. The grasp92 code, based on the multi-configuration Dirac-Fock method, is widely used to calculate the atomic properties. However, the main part of the accurate calculations, extended optimal level calculation (EOL), suffer frequently numerical instabilities due to the lack of the confident procedures. The purpose of this report is to illustrate the guideline for stable EOL calculations by calculating the most fundamental atomic system, i.e. the ground sate of helium atom ls 2 1 S 2 . This procedure could be extended for the high-precise eigenfunction calculation of more complex atomic systems, for example highly ionized atoms and high-Z atoms. (author)

Effectiveness and risks of stable iodine prophylaxis

International Nuclear Information System (INIS)

Waight, P.J.

1995-01-01

The factors upon which the efficacy of stable iodine prophylaxis depends are reviewed, with particular reference to the dose of stable iodine, the timing of the dose, the influence of dietary iodine and the impact of the other prospective actions. The risks of stable iodine ingestion are estimated, and their application to the principle of Justification in outlined. (Author)

Analysis of stable isotope assisted metabolomics data acquired by GC-MS

International Nuclear Information System (INIS)

Wei, Xiaoli; Shi, Biyun; Koo, Imhoi; Yin, Xinmin; Lorkiewicz, Pawel; Suhail, Hamid; Rattan, Ramandeep; Giri, Shailendra; McClain, Craig J.

2017-01-01

Stable isotope assisted metabolomics (SIAM) measures the abundance levels of metabolites in a particular pathway using stable isotope tracers (e.g., 13 C, 18 O and/or 15 N). We report a method termed signature ion approach for analysis of SIAM data acquired on a GC-MS system equipped with an electron ionization (EI) ion source. The signature ion is a fragment ion in EI mass spectrum of a derivatized metabolite that contains all atoms of the underivatized metabolite, except the hydrogen atoms lost during derivatization. In this approach, GC-MS data of metabolite standards were used to recognize the signature ion from the EI mass spectra acquired from stable isotope labeled samples, and a linear regression model was used to deconvolute the intensity of overlapping isotopologues. A mixture score function was also employed for cross-sample chromatographic peak list alignment to recognize the chromatographic peaks generated by the same metabolite in different samples, by simultaneously evaluating the similarity of retention time and EI mass spectrum of two chromatographic peaks. Analysis of a mixture of 16 13 C-labeled and 16 unlabeled amino acids showed that the signature ion approach accurately identified and quantified all isotopologues. Analysis of polar metabolite extracts from cells respectively fed with uniform 13 C-glucose and 13 C-glutamine further demonstrated that this method can also be used to analyze the complex data acquired from biological samples. - Highlights: • A signature ion approach is developed for analysis of stable isotope GC-MS data. • GC-MS data of compound standards are used for selection of the signature ion. • Linear regression model is used to deconvolute the overlapping isotopologue peaks. • The developed method was tested by known compounds and biological samples.

Forensic Stable Isotope Biogeochemistry

Science.gov (United States)

Cerling, Thure E.; Barnette, Janet E.; Bowen, Gabriel J.; Chesson, Lesley A.; Ehleringer, James R.; Remien, Christopher H.; Shea, Patrick; Tipple, Brett J.; West, Jason B.

2016-06-01

Stable isotopes are being used for forensic science studies, with applications to both natural and manufactured products. In this review we discuss how scientific evidence can be used in the legal context and where the scientific progress of hypothesis revisions can be in tension with the legal expectations of widely used methods for measurements. Although this review is written in the context of US law, many of the considerations of scientific reproducibility and acceptance of relevant scientific data span other legal systems that might apply different legal principles and therefore reach different conclusions. Stable isotopes are used in legal situations for comparing samples for authenticity or evidentiary considerations, in understanding trade patterns of illegal materials, and in understanding the origins of unknown decedents. Isotope evidence is particularly useful when considered in the broad framework of physiochemical processes and in recognizing regional to global patterns found in many materials, including foods and food products, drugs, and humans. Stable isotopes considered in the larger spatial context add an important dimension to forensic science.

Realizing stable fully spin polarized transport in SiC nanoribbons with dopant

Energy Technology Data Exchange (ETDEWEB)

Tao, Xixi; Wang, Xianlong; Zheng, Xiaohong, E-mail: xhzheng@theory.issp.ac.cn; Zeng, Zhi [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); University of Science and Technology of China, Hefei 230026 (China); Hao, Hua [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

2016-06-06

Intrinsic half-metallicity recently reported in zigzag edged SiC nanoribbons is basically undetectable due to negligible energy difference between the antiferromagnetic (AFM) and ferromagnetic (FM) configurations. In this Letter, by density functional theory calculations, we demonstrate a scheme of N doping at the carbon edge to selectively close the edge state channel at this edge and achieve 100% spin filtering, no matter whether it is in an AFM state or FM state. This turns SiC nanoribbon into a promising material for obtaining stable and completely spin polarized transport and may find application in spintronic devices.

Ballooning stable high beta tokamak equilibria

International Nuclear Information System (INIS)

Tuda, Takashi; Azumi, Masafumi; Kurita, Gen-ichi; Takizuka, Tomonori; Takeda, Tatsuoki

1981-04-01

The second stable regime of ballooning modes is numerically studied by using the two-dimensional tokamak transport code with the ballooning stability code. Using the simple FCT heating scheme, we find that the plasma can locally enter this second stable regime. And we obtained equilibria with fairly high beta (β -- 23%) stable against ballooning modes in a whole plasma region, by taking into account of finite thermal diffusion due to unstable ballooning modes. These results show that a tokamak fusion reactor can operate in a high beta state, which is economically favourable. (author)

Theoretical study of elastic electron scattering off stable and exotic nuclei

International Nuclear Information System (INIS)

Roca-Maza, X.; Centelles, M.; Salvat, F.; Vinas, X.

2008-01-01

Results for elastic electron scattering by nuclei, calculated with charge densities of Skyrme forces and covariant effective Lagrangians that accurately describe nuclear ground states, are compared against experiment in stable isotopes. Dirac partial-wave calculations are performed with an adapted version of the ELSEPA package. Motivated by the fact that studies of electron scattering off exotic nuclei are intended in future facilities in the commissioned GSI and RIKEN upgrades, we survey the theoretical predictions from neutron-deficient to neutron-rich isotopes in the tin and calcium isotopic chains. The charge densities of a covariant interaction that describes the low-energy electromagnetic structure of the nucleon within the Lagrangian of the theory are used to this end. The study is restricted to medium- and heavy-mass nuclei because the charge densities are computed in mean-field approach. Because the experimental analysis of scattering data commonly involves parameterized charge densities, as a surrogate exercise for the yet unexplored exotic nuclei, we fit our calculated mean-field densities with Helm model distributions. This procedure turns out to be helpful to study the neutron-number variation of the scattering observables and allows us to identify correlations of potential interest among some of these observables within the isotopic chains

Ab initio excited states from the in-medium similarity renormalization group

Science.gov (United States)

Parzuchowski, N. M.; Morris, T. D.; Bogner, S. K.

2017-04-01

We present two new methods for performing ab initio calculations of excited states for closed-shell systems within the in-medium similarity renormalization group (IMSRG) framework. Both are based on combining the IMSRG with simple many-body methods commonly used to target excited states, such as the Tamm-Dancoff approximation (TDA) and equations-of-motion (EOM) techniques. In the first approach, a two-step sequential IMSRG transformation is used to drive the Hamiltonian to a form where a simple TDA calculation (i.e., diagonalization in the space of 1 p 1 h excitations) becomes exact for a subset of eigenvalues. In the second approach, EOM techniques are applied to the IMSRG ground-state-decoupled Hamiltonian to access excited states. We perform proof-of-principle calculations for parabolic quantum dots in two dimensions and the closed-shell nuclei 16O and 22O. We find that the TDA-IMSRG approach gives better accuracy than the EOM-IMSRG when calculations converge, but it is otherwise lacking the versatility and numerical stability of the latter. Our calculated spectra are in reasonable agreement with analogous EOM-coupled-cluster calculations. This work paves the way for more interesting applications of the EOM-IMSRG approach to calculations of consistently evolved observables such as electromagnetic strength functions and nuclear matrix elements, and extensions to nuclei within one or two nucleons of a closed shell by generalizing the EOM ladder operator to include particle-number nonconserving terms.

Behaviour of radioactive and stable isotopes of calcium in the soil-solution-plant system at different soil humidity

International Nuclear Information System (INIS)

Karavaeva, E.N.; Molchanova, I.V.

1976-01-01

The results of experiments performed to study the behaviour of radioactive and stable isotopes of Ca in soil - solution - plant system at different soil moistening are given. The experiments have been conducted in culture pans with two soils: soddy-meadow and soddy-podzolic differing in a number of physico-chemical properties. The solution of radioactive Ca( 45 CaCl 2 ) has been applied to soddy-meadow soil at the rate of 0.2 μcurie/kg, and to soddy-podzolic soil - at the rate of 0.1 μcurie/kg. The distribution and accumulation coefficients are estimated by the ratio to the total content of stable Ca and 45 Ca in soil. A direct relationship between distribution coefficients and the rate of soil moistening is observed. It has been established that 45 Ca and the natural stable isotopes of Ca applied to the soil differ in the type of distribution in soil - soil solution system and in accumulation by plants. However, a great similarity has been observed in behaviour of radioactive and stable isotopes of Ca depending on soil moistening

Self-similar transmission properties of aperiodic Cantor potentials in gapped graphene

Science.gov (United States)

Rodríguez-González, Rogelio; Rodríguez-Vargas, Isaac; Díaz-Guerrero, Dan Sidney; Gaggero-Sager, Luis Manuel

2016-01-01

We investigate the transmission properties of quasiperiodic or aperiodic structures based on graphene arranged according to the Cantor sequence. In particular, we have found self-similar behaviour in the transmission spectra, and most importantly, we have calculated the scalability of the spectra. To do this, we implement and propose scaling rules for each one of the fundamental parameters: generation number, height of the barriers and length of the system. With this in mind we have been able to reproduce the reference transmission spectrum, applying the appropriate scaling rule, by means of the scaled transmission spectrum. These scaling rules are valid for both normal and oblique incidence, and as far as we can see the basic ingredients to obtain self-similar characteristics are: relativistic Dirac electrons, a self-similar structure and the non-conservation of the pseudo-spin.

Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle calculations

International Nuclear Information System (INIS)

Zhao Wenjie; Wang Yuanxu

2009-01-01

First-principle calculations were performed to investigate the structural, elastic, and electronic properties of TaB 2 , TaB, IrB 2 , and IrB. The calculated equilibrium structural parameters, shear modulus, and Young's modulus of TaB 2 are well consistent with the available experimental data, and TaB 2 with P6/mmm space group has stronger directional bonding between ions than WB 2 , OsB 2 , IrN 2 , and PtN 2 . For TaB 2 , the hexagonal P6/mmm structure is more stable than the orthorhombic Pmmn one, while for IrB 2 the orthorhombic Pmmn structure is the most stable one. The high shear modulus of P6/mmm phase TaB 2 is mainly due to the strong covalent π-bonding of B-hexagon in the (0001) plane. Such a B-hexagon network can strongly resist against an applied [112-bar0] (0001) shear deformation. Correlation between the hardness and the elastic constants of TaB 2 was discussed. The band structure shows that P6/mmm phase TaB 2 and Pmmn phase IrB 2 are both metallic. The calculations show that both TaB and IrB are elastically stable with the hexagonal P6 3 /mmc structure. - Elastic constant c 44 of TaB 2 is calculated to be 235 GPa. This value is exceptionally high, exceeding those of WB 2 , OsB 2 , WB 4 , OsN 2 , IrN 2 , and PtN 2 .

IRT-type research reactor physical calculation methodology

International Nuclear Information System (INIS)

Carrera, W.; Castaneda, S.; Garcia, F.; Garcia, L.; Reyes, O.

1990-01-01

In the present paper an established physical calculation procedure for the research reactor of the Nuclear Research Center (CIN) is described. The results obtained by the method are compared with the ones reported during the physical start up of a reactor with similar characteristics to the CIN reactor. 11 refs

A COMPARISON OF SEMANTIC SIMILARITY MODELS IN EVALUATING CONCEPT SIMILARITY

Directory of Open Access Journals (Sweden)

Q. X. Xu

2012-08-01

Full Text Available The semantic similarities are important in concept definition, recognition, categorization, interpretation, and integration. Many semantic similarity models have been established to evaluate semantic similarities of objects or/and concepts. To find out the suitability and performance of different models in evaluating concept similarities, we make a comparison of four main types of models in this paper: the geometric model, the feature model, the network model, and the transformational model. Fundamental principles and main characteristics of these models are introduced and compared firstly. Land use and land cover concepts of NLCD92 are employed as examples in the case study. The results demonstrate that correlations between these models are very high for a possible reason that all these models are designed to simulate the similarity judgement of human mind.

Possibility of hypothetical stable micro black hole production at future 100 TeV collider

Energy Technology Data Exchange (ETDEWEB)

Sokolov, A.V. [Institute for Nuclear Research of the Russian Academy of Sciences, Moscow (Russian Federation); Lomonosov Moscow State University, Physics Department, Moscow (Russian Federation); Institute of Theoretical and Experimental Physics, Moscow (Russian Federation); Pshirkov, M.S. [Institute for Nuclear Research of the Russian Academy of Sciences, Moscow (Russian Federation); Lomonosov Moscow State University, Sternberg Astronomical Institute, Moscow (Russian Federation); Pushchino Radio Astronomy Observatory, P.N. Lebedev Physical Institute, Pushchino (Russian Federation)

2017-12-15

We study the phenomenology of TeV-scale black holes predicted in theories with large extra dimensions, under the further assumption that they are absolutely stable. Our goal is to present an exhaustive analysis of safety of the proposed 100 TeV collider, as it was done in the case of the LHC. We consider the theories with different number of extra dimensions and identify those for which a possible accretion to macroscopic size would have timescales shorter than the lifetime of the Solar system. We calculate the cross sections of the black hole production at the proposed 100 TeV collider, the fraction of the black holes trapped inside the Earth and the resulting rate of capture inside the Earth via an improved method. We study the astrophysical consequences of stable micro black holes existence, in particular its influence on the stability of white dwarfs and neutron stars. We obtain constraints for the previously unexplored range of higher-dimensional Planck mass values. Several astrophysical scenarios of the micro black hole production, which were not considered before, are taken into account. Finally, using the astrophysical constraints we consider the implications for future 100 TeV terrestrial experiments. We exclude the possibility of the charged stable micro black holes production. (orig.)

Nuclear calculation of the thorium reactor

International Nuclear Information System (INIS)

Hirakawa, Naohiro

1998-01-01

Even if for a reactor using thorium (and 233-U), its nuclear design calculation procedure is similar to the case using conventional 235-U, 238-U and plutonium. As nuclear composition varies with time on operation of nuclear reactor, calculation of its mean cross section should be conducted in details. At that time, one-group cross section obtained by integration over a whole of energy range is used for small member group. And, as the nuclear data for a base of its calculation is already prepared by JENDL3.2 and nuclear data library derived from it, the nuclear calculation of a nuclear reactor using thorium has no problem. From such a veiwpoint, IAEA has organized a coordinated research program of 'Potential of Th-based Fuel Cycles to Constrain Pu and to reduce Long-term Waste Toxicities' since 1996. All nations entering this program were regulated so as to institute by selecting a nuclear fuel cycle thinking better by each nation and to examine what cycle is expected by comparing their results. For a promise to conduct such neutral comparison, a comparison of bench mark calculations aiming at PWR was conducted to protect that the obtained results became different because of different calculation method and cross section adopted by each nation. Therefore, it was promoted by entrance of China, Germany, India, Israel, Japan, Korea, Russia and USA. The SWAT system developed by Tohoku University is used for its calculation code, by using which calculated results on the bench mark calculation at the fist and second stages and the nuclear reactor were reported. (G.K.)

Meta-analysis of acupuncture therapy for the treatment of stable angina pectoris.

Science.gov (United States)

Zhang, Ze; Chen, Min; Zhang, Li; Zhang, Zhe; Wu, Wensheng; Liu, Jun; Yan, Jun; Yang, Guanlin

2015-01-01

Angina pectoris is a common symptom imperiling patients' life quality. The aim of this study is to evaluate the efficacy and safety of acupuncture for stable angina pectoris. Clinical randomized-controlled trials (RCTs) comparing the efficacy of acupuncture to conventional drugs in patients with stable angina pectoris were searched using the following database of PubMed, Medline, Wanfang and CNKI. Overall odds ratio (ORs) and weighted mean difference (MD) with their 95% confidence intervals (CI) were calculated by using fixed- or random-effect models depending on the heterogeneity of the included trials. Total 8 RCTs, including 640 angina pectoris cases with 372 patients received acupuncture therapy and 268 patients received conventional drugs, were included. Overall, our result showed that acupuncture significantly increased the clinical curative effects in the relief of angina symptoms (OR=2.89, 95% CI=1.87-4.47, Pacupuncture therapy was superior to conventional drugs. Although there was no significant difference in overall effective rate relating reduction of nitroglycerin between two groups (OR=2.13, 95% CI=0.90-5.07, P=0.09), a significant reduction on nitroglycerin consumption in acupuncture group was found (MD=-0.44, 95% CI=-0.64, -0.24, Pacupuncture therapy than for traditional medicines (MD=2.44, 95% CI=1.64-3.24, Pacupuncture therapy were found. Acupuncture may be an effective therapy for stable angina pectoris. More clinical trials are needed to systematically assess the role of acupuncture in angina pectoris.

Towards Personalized Medicine: Leveraging Patient Similarity and Drug Similarity Analytics

Science.gov (United States)

Zhang, Ping; Wang, Fei; Hu, Jianying; Sorrentino, Robert

2014-01-01

The rapid adoption of electronic health records (EHR) provides a comprehensive source for exploratory and predictive analytic to support clinical decision-making. In this paper, we investigate how to utilize EHR to tailor treatments to individual patients based on their likelihood to respond to a therapy. We construct a heterogeneous graph which includes two domains (patients and drugs) and encodes three relationships (patient similarity, drug similarity, and patient-drug prior associations). We describe a novel approach for performing a label propagation procedure to spread the label information representing the effectiveness of different drugs for different patients over this heterogeneous graph. The proposed method has been applied on a real-world EHR dataset to help identify personalized treatments for hypercholesterolemia. The experimental results demonstrate the effectiveness of the approach and suggest that the combination of appropriate patient similarity and drug similarity analytics could lead to actionable insights for personalized medicine. Particularly, by leveraging drug similarity in combination with patient similarity, our method could perform well even on new or rarely used drugs for which there are few records of known past performance. PMID:25717413

Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations

Science.gov (United States)

Hou, Ling; Li, Wei-Dong; Wang, Fangwei; Eriksson, Olle; Wang, Bao-Tian

2017-12-01

We present a systematic investigation of the structural, magnetic, electronic, mechanical, and thermodynamic properties of CmO2 with the local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U approaches. The strong Coulomb repulsion and the spin-orbit coupling (SOC) effects on the lattice structures, electronic density of states, and band gaps are carefully studied, and compared with other A O2 (A =U , Np, Pu, and Am). The ferromagnetic configuration with half-metallic character is predicted to be energetically stable while a charge-transfer semiconductor is predicted for the antiferromagnetic configuration. The elastic constants and phonon spectra show that the fluorite structure is mechanically and dynamically stable. Based on the first-principles phonon density of states, the lattice vibrational energy is calculated using the quasiharmonic approximation. Then, the Gibbs free energy, thermal expansion coefficient, specific heat, and entropy are obtained and compared with experimental data. The mode Grüneisen parameters are presented to analyze the anharmonic properties. The Slack relation is applied to obtain the lattice thermal conductivity in temperature range of 300-1600 K. The phonon group velocities are also calculated to investigate the heat transfer. For all these properties, if available, we compare the results of CmO2 with other A O2 .

A stable enol from a 6-substituted benzanthrone and its unexpected behaviour under acidic conditions

Directory of Open Access Journals (Sweden)

Marc Debeaux

2009-06-01

Full Text Available Treatment of benzanthrone (1 with biphenyl-2-yl lithium leads to the surprisingly stable enol 4, which is converted by dehydrogenation into the benzanthrone derivative 7. Under acidic conditions 4 isomerises to the spiro compound 11 and the bicyclo[4.3.1]decane derivative 12. Furthermore, the formation of 7 and the hydrogenated compound 13 is observed. A mechanism for the formation of the reaction products is proposed and supported by DFT calculations.

Calculated fission properties of the heaviest elements

International Nuclear Information System (INIS)

Moeller, P.; Nix, J.R.; Swiatecki, W.J.

1986-09-01

A quantitative calculation is presented that shows where high-kinetic-energy symmetric fission occurs and why it is associated with a sudden and large decrease in fission half-lives. The study is based on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. For the macroscopic part a Yukawa-plus-exponential model is used and for the microscopic part a folded-Yukawa single-particle potential is used. The three-quadratic-surface parameterization generates shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. The results of the calculations in terms of potential-energy surfaces and fission half-lives are presented for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. 53 refs., 15 figs., 1 tab

Enhanced understanding of ectoparasite: host trophic linkages on coral reefs through stable isotope analysis

Science.gov (United States)

Demopoulos, Amanda W. J.; Sikkel, Paul C.

2015-01-01

Parasitism, although the most common type of ecological interaction, is usually ignored in food web models and studies of trophic connectivity. Stable isotope analysis is widely used in assessing the flow of energy in ecological communities and thus is a potentially valuable tool in understanding the cryptic trophic relationships mediated by parasites. In an effort to assess the utility of stable isotope analysis in understanding the role of parasites in complex coral-reef trophic systems, we performed stable isotope analysis on three common Caribbean reef fish hosts and two kinds of ectoparasitic isopods: temporarily parasitic gnathiids (Gnathia marleyi) and permanently parasitic cymothoids (Anilocra). To further track the transfer of fish-derived carbon (energy) from parasites to parasite consumers, gnathiids from host fish were also fed to captive Pederson shrimp (Ancylomenes pedersoni) for at least 1 month. Parasitic isopods had δ13C and δ15N values similar to their host, comparable with results from the small number of other host–parasite studies that have employed stable isotopes. Adult gnathiids were enriched in 15N and depleted in13C relative to juvenile gnathiids, providing insights into the potential isotopic fractionation associated with blood-meal assimilation and subsequent metamorphosis. Gnathiid-fed Pedersen shrimp also had δ13C values consistent with their food source and enriched in 15N as predicted due to trophic fractionation. These results further indicate that stable isotopes can be an effective tool in deciphering cryptic feeding relationships involving parasites and their consumers, and the role of parasites and cleaners in carbon transfer in coral-reef ecosystems specifically.

Enhanced understanding of ectoparasite–host trophic linkages on coral reefs through stable isotope analysis

Directory of Open Access Journals (Sweden)

Amanda W.J. Demopoulos

2015-04-01

Full Text Available Parasitism, although the most common type of ecological interaction, is usually ignored in food web models and studies of trophic connectivity. Stable isotope analysis is widely used in assessing the flow of energy in ecological communities and thus is a potentially valuable tool in understanding the cryptic trophic relationships mediated by parasites. In an effort to assess the utility of stable isotope analysis in understanding the role of parasites in complex coral-reef trophic systems, we performed stable isotope analysis on three common Caribbean reef fish hosts and two kinds of ectoparasitic isopods: temporarily parasitic gnathiids (Gnathia marleyi and permanently parasitic cymothoids (Anilocra. To further track the transfer of fish-derived carbon (energy from parasites to parasite consumers, gnathiids from host fish were also fed to captive Pederson shrimp (Ancylomenes pedersoni for at least 1 month. Parasitic isopods had δ13C and δ15N values similar to their host, comparable with results from the small number of other host–parasite studies that have employed stable isotopes. Adult gnathiids were enriched in 15N and depleted in 13C relative to juvenile gnathiids, providing insights into the potential isotopic fractionation associated with blood-meal assimilation and subsequent metamorphosis. Gnathiid-fed Pedersen shrimp also had δ13C values consistent with their food source and enriched in 15N as predicted due to trophic fractionation. These results further indicate that stable isotopes can be an effective tool in deciphering cryptic feeding relationships involving parasites and their consumers, and the role of parasites and cleaners in carbon transfer in coral-reef ecosystems specifically.

Tukey max-stable processes for spatial extremes

KAUST Repository

Xu, Ganggang

2016-09-21

We propose a new type of max-stable process that we call the Tukey max-stable process for spatial extremes. It brings additional flexibility to modeling dependence structures among spatial extremes. The statistical properties of the Tukey max-stable process are demonstrated theoretically and numerically. Simulation studies and an application to Swiss rainfall data indicate the effectiveness of the proposed process. © 2016 Elsevier B.V.

Similarity measurement method of high-dimensional data based on normalized net lattice subspace

Institute of Scientific and Technical Information of China (English)

Li Wenfa; Wang Gongming; Li Ke; Huang Su

2017-01-01

The performance of conventional similarity measurement methods is affected seriously by the curse of dimensionality of high-dimensional data.The reason is that data difference between sparse and noisy dimensionalities occupies a large proportion of the similarity, leading to the dissimilarities between any results.A similarity measurement method of high-dimensional data based on normalized net lattice subspace is proposed.The data range of each dimension is divided into several intervals, and the components in different dimensions are mapped onto the corresponding interval.Only the component in the same or adjacent interval is used to calculate the similarity.To validate this meth-od, three data types are used, and seven common similarity measurement methods are compared. The experimental result indicates that the relative difference of the method is increasing with the di-mensionality and is approximately two or three orders of magnitude higher than the conventional method.In addition, the similarity range of this method in different dimensions is [0, 1], which is fit for similarity analysis after dimensionality reduction.

Comparative Study of Daylighting Calculation Methods

Directory of Open Access Journals (Sweden)

Mandala Ariani

2018-01-01

Full Text Available The aim of this study is to assess five daylighting calculation method commonly used in architectural study. The methods used include hand calculation methods (SNI/DPMB method and BRE Daylighting Protractors, scale models studied in an artificial sky simulator and computer programs using Dialux and Velux lighting software. The test room is conditioned by the uniform sky conditions, simple room geometry with variations of the room reflectance (black, grey, and white color. The analyses compared the result (including daylight factor, illumination, and coefficient of uniformity value and examines the similarity and contrast the result different. The color variations trial is used to analyses the internally reflection factor contribution to the result.

Subshifts of finite type and self-similar sets

Science.gov (United States)

Jiang, Kan; Dajani, Karma

2017-02-01

Let K\\subset {R} be a self-similar set generated by some iterated function system. In this paper we prove, under some assumptions, that K can be identified with a subshift of finite type. With this identification, we can calculate the Hausdorff dimension of K as well as the set of elements in K with unique codings using the machinery of Mauldin and Williams (1988 Trans. Am. Math. Soc. 309 811-29). We give three different applications of our main result. Firstly, we calculate the Hausdorff dimension of the set of points of K with multiple codings. Secondly, in the setting of β-expansions, when the set of all the unique codings is not a subshift of finite type, we can calculate in some cases the Hausdorff dimension of the univoque set. Motivated by this application, we prove that the set of all the unique codings is a subshift of finite type if and only if it is a sofic shift. This equivalent condition was not mentioned by de Vries and Komornik (2009 Adv. Math. 221 390-427, theorem 1.8). Thirdly, for the doubling map with asymmetrical holes, we give a sufficient condition such that the survivor set can be identified with a subshift of finite type. The third application partially answers a problem posed by Alcaraz Barrera (2014 PhD Thesis University of Manchester).

Transfer Area Mechanical Handling Calculation

International Nuclear Information System (INIS)

Dianda, B.

2004-01-01

related manufacturer. A component produced by one manufacturer certainly varies dimensionally from a similar product produced by a different manufacturer. The internal envelope dimensions are dependent on the selection of the individual components. The external envelope dimensions, as well as, key interface dimensions are established within this calculation and are to be treated as bounding dimensions

GTHTR 300 economic calculation with Mini G4ECONS as a basis for generation cost of GTHTR 10 MWe calculation

International Nuclear Information System (INIS)

Mochamad Nasrullah; Nurlaila

2014-01-01

The government plan to build Experimental Power Reactor (EPR) requires measurable economic assessment. The purpose of the study was to recalculate Gas Turbine High Temperature Reactor of 300 MWe (GTHTR 300) and compare the results with reference data. Then calculate generation cost of GTHTR 3, 5 and 10 MWe using the scale factor calculation. The methodology used is covered the generation cost calculation using the Mini G4Econs spread sheet models published by IAEA. Result of the verification calculation showed that a relatively similar, which means that the calculation model could be used to calculate for same other cases. Afterward, using scale factor, smaller scale reactor could be calculated. The calculation result show that electricity generation cost of SMR-HTR type with load factor 90% and discount rate 10% for power capacity 3, 5 and 10 MWe are 29.5, 22.68 and 16.17 cents$/kWh respectively. However, because the EPR is planning to be built as a non-commercial power reactors, then 5 % and 3 % of discount rate could be chosen, each of those discount rate will result electricity generation cost of 10.37 cents$/kWh and 8.56 cents$/kWh respectively. These result could be considered by the government for developing SMR type of HTR. (author)

Comprehensive calculations of 4p and 4d lifetimes for the Cu sequence

International Nuclear Information System (INIS)

Curtis, L.J.; Theodosiou, C.E.

1989-01-01

Computed lifetimes for the 4p 2 P/sub 1/2/, 4p 2 P/sub 3/2/, 4d 2 D/sub 3/2/, and 4d 2 D/sub 5/2/ levels in the copper isoelectronic sequence are presented for atomic numbers Z = 29--92. These calculations agree well with recent high-precision lifetime measurements, conflict with the isoelectronic trend of single-configuration Dirac-Fock calculations, and agree at lower Z with the multiplet values of multiconfiguration Hartree-Fock calculations using experimental transition energies. Our calculations involve the inclusion of experimental energy-level data and the use of a Hartree-Slater potential to represent the ionic core. It is found that the core-polarization effects are significant and must be included to obtain agreement with experiment, at least for the lower members of the isoelectronic sequence. As part of the study, we have combined semiempirical parametrizations of the existing database with Dirac-Fock calculations to produce a set of values for the ionization potentials and the 4p and 4d excitation energies for all stable ions in this sequence

An energy stable evolution method for simulating two-phase equilibria of multi-component fluids at constant moles, volume and temperature

KAUST Repository

Kou, Jisheng

2016-02-25

In this paper, we propose an energy-stable evolution method for the calculation of the phase equilibria under given volume, temperature, and moles (VT-flash). An evolution model for describing the dynamics of two-phase fluid system is based on Fick’s law of diffusion for multi-component fluids and the Peng-Robinson equation of state. The mobility is obtained from diffusion coefficients by relating the gradient of chemical potential to the gradient of molar density. The evolution equation for moles of each component is derived using the discretization of diffusion equations, while the volume evolution equation is constructed based on the mechanical mechanism and the Peng-Robinson equation of state. It is proven that the proposed evolution system can well model the VT-flash problem, and moreover, it possesses the property of total energy decay. By using the Euler time scheme to discretize this evolution system, we develop an energy stable algorithm with an adaptive choice strategy of time steps, which allows us to calculate the suitable time step size to guarantee the physical properties of moles and volumes, including positivity, maximum limits, and correct definition of the Helmhotz free energy function. The proposed evolution method is also proven to be energy-stable under the proposed time step choice. Numerical examples are tested to demonstrate efficiency and robustness of the proposed method.

Chance and stability stable distributions and their applications

CERN Document Server

Uchaikin, Vladimir V

1999-01-01

An introduction to the theory of stable distributions and their applications. It contains a modern outlook on the mathematical aspects of the theory. The authors explain numerous peculiarities of stable distributions and describe the principle concept of probability theory and function analysis. A significant part of the book is devoted to applications of stable distributions. Another notable feature is the material on the interconnection of stable laws with fractals, chaos and anomalous transport processes.

French days on stable isotopes

International Nuclear Information System (INIS)

2000-01-01

These first French days on stable isotopes took place in parallel with the 1. French days of environmental chemistry. Both conferences had common plenary sessions. The conference covers all aspects of the use of stable isotopes in the following domains: medicine, biology, environment, tracer techniques, agronomy, food industry, geology, petroleum geochemistry, cosmo-geochemistry, archaeology, bio-geochemistry, hydrology, climatology, nuclear and particle physics, astrophysics, isotope separations etc.. Abstracts available on CD-Rom only. (J.S.)

Pharmaceuticals labelled with stable isotopes

International Nuclear Information System (INIS)

Krumbiegel, P.

1986-11-01

The relatively new field of pharmaceuticals labelled with stable isotopes is reviewed. Scientific, juridical, and ethical questions are discussed concerning the application of these pharmaceuticals in human medicine. 13 C, 15 N, and 2 H are the stable isotopes mainly utilized in metabolic function tests. Methodical contributions are given to the application of 2 H, 13 C, and 15 N pharmaceuticals showing new aspects and different states of development in the field under discussion. (author)

From standard alpha-stable Lévy motions to horizontal visibility networks: dependence of multifractal and Laplacian spectrum

Science.gov (United States)

Zou, Hai-Long; Yu, Zu-Guo; Anh, Vo; Ma, Yuan-Lin

2018-05-01

In recent years, researchers have proposed several methods to transform time series (such as those of fractional Brownian motion) into complex networks. In this paper, we construct horizontal visibility networks (HVNs) based on the -stable Lévy motion. We aim to study the relations of multifractal and Laplacian spectrum of transformed networks on the parameters and of the -stable Lévy motion. First, we employ the sandbox algorithm to compute the mass exponents and multifractal spectrum to investigate the multifractality of these HVNs. Then we perform least squares fits to find possible relations of the average fractal dimension , the average information dimension and the average correlation dimension against using several methods of model selection. We also investigate possible dependence relations of eigenvalues and energy on , calculated from the Laplacian and normalized Laplacian operators of the constructed HVNs. All of these constructions and estimates will help us to evaluate the validity and usefulness of the mappings between time series and networks, especially between time series of -stable Lévy motions and HVNs.

Development of a Safety Management Web Tool for Horse Stables.

Science.gov (United States)

Leppälä, Jarkko; Kolstrup, Christina Lunner; Pinzke, Stefan; Rautiainen, Risto; Saastamoinen, Markku; Särkijärvi, Susanna

2015-11-12

Managing a horse stable involves risks, which can have serious consequences for the stable, employees, clients, visitors and horses. Existing industrial or farm production risk management tools are not directly applicable to horse stables and they need to be adapted for use by managers of different types of stables. As a part of the InnoEquine project, an innovative web tool, InnoHorse, was developed to support horse stable managers in business, safety, pasture and manure management. A literature review, empirical horse stable case studies, expert panel workshops and stakeholder interviews were carried out to support the design. The InnoHorse web tool includes a safety section containing a horse stable safety map, stable safety checklists, and examples of good practices in stable safety, horse handling and rescue planning. This new horse stable safety management tool can also help in organizing work processes in horse stables in general.

Towards Designing Environmentally Stable Conjugated Polymers with very Small Band-Gaps

International Nuclear Information System (INIS)

Hong, Sung Y.; Kim, Sung C.

2003-01-01

We have investigated substituent effect on the stabilization energies, and nucleus-independent chemical shifts of pentafulvalenes and on the electronic structures of the corresponding polypentafulvalenes to design environmentally stable semiconductive or conductive polymers. Geometrical optimizations of the molecules were carried out at the density functional level of theory with B3LYP hybrid functional and 6-311+G(d) basis set. Stabilization energies were estimated using isodesmic and homodesmotic reactions. As a criterion of aromaticity nucleus-independent chemical shifts of the molecules were computed using GIAO approach. For the polymers the geometrical parameters were optimized through AM1 band calculations and the electronic structures were obtained through modified extended Huckel band calculations. It is found that strong electronwithdrawing substituents increase isodesmic and homodesmotic stabilization energies of pentafulvalene, though it does not increase the aromaticity. Nitro-substituted pentafulvalene is estimated to have stabilization energy as much as azulene. However, substitution either with electron-donating groups or with electronwithdrawing groups does not significantly affect the electronic structures of polypentafulvalene and poly (vinylenedioxypentafulvalene)

The catalytic mechanism of mouse renin studied with QM/MM calculations.

Science.gov (United States)

Brás, Natércia F; Ramos, Maria J; Fernandes, Pedro A

2012-09-28

Hypertension is a chronic condition that affects nearly 25% of adults worldwide. As the Renin-Angiotensin-Aldosterone System is implicated in the control of blood pressure and body fluid homeostasis, its combined blockage is an attractive therapeutic strategy currently in use for the treatment of several cardiovascular conditions. We have performed QM/MM calculations to study the mouse renin catalytic mechanism in atomistic detail, using the N-terminal His6-Asn14 segment of angiotensinogen as substrate. The enzymatic reaction (hydrolysis of the peptidic bond between residues in the 10th and 11th positions) occurs through a general acid/base mechanism and, surprisingly, it is characterized by three mechanistic steps: it begins with the creation of a first very stable tetrahedral gem-diol intermediate, followed by protonation of the peptidic bond nitrogen, giving rise to a second intermediate. In a final step the peptidic bond is completely cleaved and both gem-diol hydroxyl protons are transferred to the catalytic dyad (Asp32 and Asp215). The final reaction products are two separate peptides with carboxylic acid and amine extremities. The activation energy for the formation of the gem-diol intermediate was calculated as 23.68 kcal mol(-1), whereas for the other steps the values were 15.51 kcal mol(-1) and 14.40 kcal mol(-1), respectively. The rate limiting states were the reactants and the first transition state. The associated barrier (23.68 kcal mol(-1)) is close to the experimental values for the angiotensinogen substrate (19.6 kcal mol(-1)). We have also tested the influence of the density functional on the activation and reaction energies. All eight density functionals tested (B3LYP, B3LYP-D3, X3LYP, M06, B1B95, BMK, mPWB1K and B2PLYP) gave very similar results.

Stable isotope distribution in continental Maastrichtian vertebrates from the Haţeg Basin, South Carpathians

Science.gov (United States)

Bojar, Ana-Voica; Csiki, Zoltan; Grigorescu, Dan

2010-05-01

and behaviour of the vertebrates. The large difference observed between the delta 18O and delta 13C of the eggshells and the surrounding mudstones, as well as the preservation of the 9 ‰ difference between the oxygen isotope composition of the Telmatosaurus eggshell and tooth enamel, indicate that diagenesis have not significantly altered the primary isotopic signal. Stable isotope compositions of both calcretes and phosphatic remains suggest warmer conditions during the deposition of the Tuştea sequence than during the deposition of the Sibişel sequence. The intra-tooth delta 18O patterns for Zalmoxes and Allodaposuchus show different magnitudes of isotopic variation, with lower values for Tuştea and higher for Sibişel. The calculated delta 18O body water enrichment for Kallokibotion bajazidi is similar to that found in the living turtle taxa. By contrast, in the case of Allodaposuchus, the isotopic enrichment is higher than for recent taxa. This suggests that, for Allodaposuchus, the body water was less buffered by a watery environment, which probably indicates more time spent outside water (i.e. more terrestrial habit). The delta 18O values for the teeth of Telmatosaurus and Zalmoxes are similar to those of Allodaposuchus, suggesting that, at the investigated sites, the body temperature of both dinosaurs was similar to that of the crocodile. The isotopic composition of calcretes, teeth and eggshells indicates a C3 vegetation and diet with delta 13C values between -27 to -29 ‰ (PDB) and the absence of large-scale habitat partitioning between the dinosaurs.

Walking on a user similarity network towards personalized recommendations.

Directory of Open Access Journals (Sweden)

Mingxin Gan

Full Text Available Personalized recommender systems have been receiving more and more attention in addressing the serious problem of information overload accompanying the rapid evolution of the world-wide-web. Although traditional collaborative filtering approaches based on similarities between users have achieved remarkable success, it has been shown that the existence of popular objects may adversely influence the correct scoring of candidate objects, which lead to unreasonable recommendation results. Meanwhile, recent advances have demonstrated that approaches based on diffusion and random walk processes exhibit superior performance over collaborative filtering methods in both the recommendation accuracy and diversity. Building on these results, we adopt three strategies (power-law adjustment, nearest neighbor, and threshold filtration to adjust a user similarity network from user similarity scores calculated on historical data, and then propose a random walk with restart model on the constructed network to achieve personalized recommendations. We perform cross-validation experiments on two real data sets (MovieLens and Netflix and compare the performance of our method against the existing state-of-the-art methods. Results show that our method outperforms existing methods in not only recommendation accuracy and diversity, but also retrieval performance.

Walking on a user similarity network towards personalized recommendations.

Science.gov (United States)

Gan, Mingxin

2014-01-01

Personalized recommender systems have been receiving more and more attention in addressing the serious problem of information overload accompanying the rapid evolution of the world-wide-web. Although traditional collaborative filtering approaches based on similarities between users have achieved remarkable success, it has been shown that the existence of popular objects may adversely influence the correct scoring of candidate objects, which lead to unreasonable recommendation results. Meanwhile, recent advances have demonstrated that approaches based on diffusion and random walk processes exhibit superior performance over collaborative filtering methods in both the recommendation accuracy and diversity. Building on these results, we adopt three strategies (power-law adjustment, nearest neighbor, and threshold filtration) to adjust a user similarity network from user similarity scores calculated on historical data, and then propose a random walk with restart model on the constructed network to achieve personalized recommendations. We perform cross-validation experiments on two real data sets (MovieLens and Netflix) and compare the performance of our method against the existing state-of-the-art methods. Results show that our method outperforms existing methods in not only recommendation accuracy and diversity, but also retrieval performance.

Tempered stable distributions stochastic models for multiscale processes

CERN Document Server

Grabchak, Michael

2015-01-01

This brief is concerned with tempered stable distributions and their associated Levy processes. It is a good text for researchers interested in learning about tempered stable distributions.  A tempered stable distribution is one which takes a stable distribution and modifies its tails to make them lighter. The motivation for this class comes from the fact that infinite variance stable distributions appear to provide a good fit to data in a variety of situations, but the extremely heavy tails of these models are not realistic for most real world applications. The idea of using distributions that modify the tails of stable models to make them lighter seems to have originated in the influential paper of Mantegna and Stanley (1994). Since then, these distributions have been extended and generalized in a variety of ways. They have been applied to a wide variety of areas including mathematical finance, biostatistics,computer science, and physics.

Discrete-ordinates electron transport calculations using standard neutron transport codes

International Nuclear Information System (INIS)

Morel, J.E.

1979-01-01

The primary purpose of this work was to develop a method for using standard neutron transport codes to perform electron transport calculations. The method is to develop approximate electron cross sections which are sufficiently well-behaved to be treated with standard S/sub n/ methods, but which nonetheless yield flux solutions which are very similar to the exact solutions. The main advantage of this approach is that, once the approximate cross sections are constructed, their multigroup Legendre expansion coefficients can be calculated and input to any standard S/sub n/ code. Discrete-ordinates calculations were performed to determine the accuracy of the flux solutions for problems corresponding to 1.0-MeV electrons incident upon slabs of aluminum and gold. All S/sub n/ calculations were compared with similar calculations performed with an electron Monte Carlo code, considered to be exact. In all cases, the discrete-ordinates solutions for integral flux quantities (i.e., scalar flux, energy deposition profiles, etc.) are generally in agreement with the Monte Carlo solutions to within approximately 5% or less. The central conclusion is that integral electron flux quantities can be efficiently and accurately calculated using standard S/sub n/ codes in conjunction with approximate cross sections. Furthermore, if group structures and approximate cross section construction are optimized, accurate differential flux energy spectra may also be obtainable without having to use an inordinately large number of energy groups. 1 figure

Somatic mutation frequencies in the stamen hairs of stable and mutable clones of Tradescantia after acute gamma-ray treatments with small doses

International Nuclear Information System (INIS)

Ichikawa, Sadao; Takahashi, C.S.

1977-01-01

Young inflorescences of two different Tradescantia clones heterozygous for flower and stamen-hair color, one stable (KU 9) and the other spontaneously mutable (KU 20), were irradiated acutely with small doses (approx. 3 to 50 R) of 60 Co gamma-rays. Somatic mutation frequencies from blue to pink in the stamen hairs scored on post-irradiation days 10 to 16 increased essentially linearly with increasing gamma-ray dose in both clones. Despite about a 5-fold difference in spontaneous mutation frequency per hair found between the two clones, the dose-response curves of pink mutations determined were similar to each other, giving average mutation frequencies of 1.51 and 1.41 pink-mutant events per 1000 hairs per R for KU 9 and KU 20, respectively. These frequencies are comparable to earlier results obtained from acute irradiation treatments of other clones with higher doses. The doubling dose of pink mutation (the radiation dose making the mutation frequency double the spontaneous level) was calculated to be 2.09 R for KU 9, and this low doubling dose must be given full attention. On the other hand, the doubling dose for KU 20 (calculated to be 10.4 R) is of questionable value, being greatly subject to change because of the diversely variable spontaneous mutation frequency of this clone

Experimental Study of Dowel Bar Alternatives Based on Similarity Model Test

Directory of Open Access Journals (Sweden)

Chichun Hu

2017-01-01

Full Text Available In this study, a small-scaled accelerated loading test based on similarity theory and Accelerated Pavement Analyzer was developed to evaluate dowel bars with different materials and cross-sections. Jointed concrete specimen consisting of one dowel was designed as scaled model for the test, and each specimen was subjected to 864 thousand loading cycles. Deflections between jointed slabs were measured with dial indicators, and strains of the dowel bars were monitored with strain gauges. The load transfer efficiency, differential deflection, and dowel-concrete bearing stress for each case were calculated from these measurements. The test results indicated that the effect of the dowel modulus on load transfer efficiency can be characterized based on the similarity model test developed in the study. Moreover, round steel dowel was found to have similar performance to larger FRP dowel, and elliptical dowel can be preferentially considered in practice.

Independent calculation of the monitor units and times of treatment in radiotherapy

International Nuclear Information System (INIS)

Mueller, Marcio Rogerio

2005-01-01

In this work, an independent verification system of calculations in radiotherapy was developed and applied, using Visual Basic TM programming language. The computational program performs calculations of monitor units and treatment time, based on the algorithm of manual calculation. The calculations executed for the independent system had initially been compared with the manual calculations performed by the medical physicists of the Institute of Radiotherapy of the Hospital das Clinicas da Universidade de Sao Paulo. In this step, the results found for more than two hundred fields studied were similar to those found in the literature; deviations larger than +- 1% were found only in five cases involving errors in manual calculation. The application of the independent system, in this stage, could have identified errors up to +- 2,4%. Based on these data, the system was validated for use in clinical routine. In a second step, calculations were compared with calculations realized by the treatment computerized planning system CadPIan TM . When, again, the results were similar to those published in other works allowing to obtain levels of acceptance of the discrepancies between the calculations executed for the independent system and the calculations developed from the planning system, separated by anatomical region, as recommended according by the recent literature. For beams of 6 MV, the levels of acceptance for deviations between the calculations of monitor units, separated by treatment region were the following; breast +- 1.7%, head and neck +2%; hypophysis +- 2.2%; pelvis +- 4 . 1% and thorax +- 1.5%. For beams of 15 MV, the level suggested for pelvis was of +- 4.5%. (author)

Molecular similarity measures.

Science.gov (United States)

Maggiora, Gerald M; Shanmugasundaram, Veerabahu

2011-01-01

Molecular similarity is a pervasive concept in chemistry. It is essential to many aspects of chemical reasoning and analysis and is perhaps the fundamental assumption underlying medicinal chemistry. Dissimilarity, the complement of similarity, also plays a major role in a growing number of applications of molecular diversity in combinatorial chemistry, high-throughput screening, and related fields. How molecular information is represented, called the representation problem, is important to the type of molecular similarity analysis (MSA) that can be carried out in any given situation. In this work, four types of mathematical structure are used to represent molecular information: sets, graphs, vectors, and functions. Molecular similarity is a pairwise relationship that induces structure into sets of molecules, giving rise to the concept of chemical space. Although all three concepts - molecular similarity, molecular representation, and chemical space - are treated in this chapter, the emphasis is on molecular similarity measures. Similarity measures, also called similarity coefficients or indices, are functions that map pairs of compatible molecular representations that are of the same mathematical form into real numbers usually, but not always, lying on the unit interval. This chapter presents a somewhat pedagogical discussion of many types of molecular similarity measures, their strengths and limitations, and their relationship to one another. An expanded account of the material on chemical spaces presented in the first edition of this book is also provided. It includes a discussion of the topography of activity landscapes and the role that activity cliffs in these landscapes play in structure-activity studies.

Pressure induced structural phase transition of OsB2: First-principles calculations

International Nuclear Information System (INIS)

Ren Fengzhu; Wang Yuanxu; Lo, V.C.

2010-01-01

Orthorhombic OsB 2 was synthesized at 1000 deg. C and its compressibility was measured by using the high-pressure X-ray diffraction in a Diacell diamond anvil cell from ambient pressure to 32 GPa [R.W. Cumberland, et al. (2005)]. First-principles calculations were performed to study the possibility of the phase transition of OsB 2 . An analysis of the calculated enthalpy shows that orthorhombic OsB 2 can transfer to the hexagonal phase at 10.8 GPa. The calculated results with the quasi-harmonic approximation indicate that this phase transition pressure is little affected by the thermal effect. The calculated phonon band structure shows that the hexagonal P 6 3 /mmc structure (high-pressure phase) is stable for OsB 2 . We expect the phase transition can be further confirmed by the experimental work. - Abstract: Graphical Abstract Legend (TOC Figure): Table of Contents Figure Pressure induced structural phase transition from the orthorhombic structure to the hexagonal one for OsB 2 takes place under 10.8 GPa (0 K), 10.35 GPa (300, 1000 K) by the first-principles predictions.

Similar tests and the standardized log likelihood ratio statistic

DEFF Research Database (Denmark)

Jensen, Jens Ledet

1986-01-01

When testing an affine hypothesis in an exponential family the 'ideal' procedure is to calculate the exact similar test, or an approximation to this, based on the conditional distribution given the minimal sufficient statistic under the null hypothesis. By contrast to this there is a 'primitive......' approach in which the marginal distribution of a test statistic considered and any nuisance parameter appearing in the test statistic is replaced by an estimate. We show here that when using standardized likelihood ratio statistics the 'primitive' procedure is in fact an 'ideal' procedure to order O(n -3...

Stable Chimeras and Independently Synchronizable Clusters

Science.gov (United States)

Cho, Young Sul; Nishikawa, Takashi; Motter, Adilson E.

2017-08-01

Cluster synchronization is a phenomenon in which a network self-organizes into a pattern of synchronized sets. It has been shown that diverse patterns of stable cluster synchronization can be captured by symmetries of the network. Here, we establish a theoretical basis to divide an arbitrary pattern of symmetry clusters into independently synchronizable cluster sets, in which the synchronization stability of the individual clusters in each set is decoupled from that in all the other sets. Using this framework, we suggest a new approach to find permanently stable chimera states by capturing two or more symmetry clusters—at least one stable and one unstable—that compose the entire fully symmetric network.

Stable isotopes in Lithuanian bioarcheological material

Science.gov (United States)

Skipityte, Raminta; Jankauskas, Rimantas; Remeikis, Vidmantas

2015-04-01

Investigation of bioarcheological material of ancient human populations allows us to understand the subsistence behavior associated with various adaptations to the environment. Feeding habits are essential to the survival and growth of ancient populations. Stable isotope analysis is accepted tool in paleodiet (Schutkowski et al, 1999) and paleoenvironmental (Zernitskaya et al, 2014) studies. However, stable isotopes can be useful not only in investigating human feeding habits but also in describing social and cultural structure of the past populations (Le Huray and Schutkowski, 2005). Only few stable isotope investigations have been performed before in Lithuanian region suggesting a quite uniform diet between males and females and protein intake from freshwater fish and animal protein. Previously, stable isotope analysis has only been used to study a Stone Age population however, more recently studies have been conducted on Iron Age and Late medieval samples (Jacobs et al, 2009). Anyway, there was a need for more precise examination. Stable isotope analysis were performed on human bone collagen and apatite samples in this study. Data represented various ages (from 5-7th cent. to 18th cent.). Stable carbon and nitrogen isotope analysis on medieval populations indicated that individuals in studied sites in Lithuania were almost exclusively consuming C3 plants, C3 fed terrestrial animals, and some freshwater resources. Current investigation demonstrated social differences between elites and country people and is promising in paleodietary and daily life reconstruction. Acknowledgement I thank prof. dr. G. Grupe, Director of the Anthropological and Palaeoanatomical State Collection in Munich for providing the opportunity to work in her laboratory. The part of this work was funded by DAAD. Antanaitis-Jacobs, Indre, et al. "Diet in early Lithuanian prehistory and the new stable isotope evidence." Archaeologia Baltica 12 (2009): 12-30. Le Huray, Jonathan D., and Holger

Safety and efficacy of angioplasty with intracoronary stenting in patients with unstable coronary syndromes. Comparison with stable coronary syndromes

Directory of Open Access Journals (Sweden)

Luís C. L. Correia

2000-06-01

Full Text Available OBJECTIVE: To assess safety and efficacy of coronary angioplasty with stent implantation in unstable coronary syndromes. METHODS: Retrospective analysis of in-hospital and late evolution of 74 patients with unstable coronary syndromes (unstable angina or infarction without elevation of the ST segment undergoing coronary angioplasty with stent placement. These 74 patients were compared with 31 patients with stable coronary syndromes (stable angina or stable silent ischemia undergoing the same procedure. RESULTS: No death and no need for revascularization of the culprit artery occurred in the in-hospital phase. The incidences of acute non-Q-wave myocardial infarction were 1.4% and 3.2% (p=0.6 in the unstable and stable coronary syndrome groups, respectively. In the late follow-up (11.2±7.5 months, the incidences of these events combined were 5.7% in the unstable coronary syndrome group and 6.9% (p=0.8 in the stable coronary syndrome group. In the multivariate analysis, the only variable with a tendency to significance as an event predictor was diabetes mellitus (p=0.07; OR=5.2; 95% CI=0.9-29.9. CONCLUSION: The in-hospital and late evolutions of patients with unstable coronary syndrome undergoing angioplasty with intracoronary stent implantation are similar to those of the stable coronary syndrome group, suggesting that this procedure is safe and efficacious when performed in unstable coronary syndrome patients.

Calculation of atomic integrals using commutation relations

International Nuclear Information System (INIS)

Zamastil, J.; Vinette, F.; Simanek, M.

2007-01-01

In this paper, a numerically stable method of calculating atomic integrals is suggested. The commutation relations among the components of the angular momentum and the Runge-Lenz vector are used to deduce recurrence relations for the Sturmian radial functions. The radial part of the one- and two-electron integrals is evaluated by means of these recurrence relations. The product of two radial functions is written as a linear combination of the radial functions. This enables us to write the integrals over four radial functions as a linear combination of the integrals over two radial functions. The recurrence relations for the functions are used to derive the recursion relations for the coefficients of the linear combination and for the integrals over two functions

Dissociative recombination of interstellar ions: electronic structure calculations for HCO+

International Nuclear Information System (INIS)

Kraemer, W.P.; Hazi, A.U.

1985-01-01

The present study of the interstellar formyl ion HCO + is the first attempt to investigate dissociative recombination for a triatomic molecular ion using an entirely theoretical approach. We describe a number of fairly extensive electronic structure calculations that were performed to determine the reaction mechanism of the e-HCO + process. Similar calculations for the isoelectronic ions HOC + and HN 2 + are in progress. 60 refs

A FAST METHOD FOR MEASURING THE SIMILARITY BETWEEN 3D MODEL AND 3D POINT CLOUD

Directory of Open Access Journals (Sweden)

Z. Zhang

2016-06-01

Full Text Available This paper proposes a fast method for measuring the partial Similarity between 3D Model and 3D point Cloud (SimMC. It is crucial to measure SimMC for many point cloud-related applications such as 3D object retrieval and inverse procedural modelling. In our proposed method, the surface area of model and the Distance from Model to point Cloud (DistMC are exploited as measurements to calculate SimMC. Here, DistMC is defined as the weighted distance of the distances between points sampled from model and point cloud. Similarly, Distance from point Cloud to Model (DistCM is defined as the average distance of the distances between points in point cloud and model. In order to reduce huge computational burdens brought by calculation of DistCM in some traditional methods, we define SimMC as the ratio of weighted surface area of model to DistMC. Compared to those traditional SimMC measuring methods that are only able to measure global similarity, our method is capable of measuring partial similarity by employing distance-weighted strategy. Moreover, our method is able to be faster than other partial similarity assessment methods. We demonstrate the superiority of our method both on synthetic data and laser scanning data.

Stable isotope research pool inventory

International Nuclear Information System (INIS)

1984-03-01

This report contains a listing of electromagnetically separated stable isotopes which are available at the Oak Ridge National Laboratory for distribution for nondestructive research use on a loan basis. This inventory includes all samples of stable isotopes in the Research Materials Collection and does not designate whether a sample is out on loan or is in reprocessing. For some of the high abundance naturally occurring isotopes, larger amounts can be made available; for example, Ca-40 and Fe-56

New resonance cross section calculational algorithms

International Nuclear Information System (INIS)

Mathews, D.R.

1978-01-01

Improved resonance cross section calculational algorithms were developed and tested for inclusion in a fast reactor version of the MICROX code. The resonance energy portion of the MICROX code solves the neutron slowing-down equations for a two-region lattice cell on a very detailed energy grid (about 14,500 energies). In the MICROX algorithms, the exact P 0 elastic scattering kernels are replaced by synthetic (approximate) elastic scattering kernels which permit the use of an efficient and numerically stable recursion relation solution of the slowing-down equation. In the work described here, the MICROX algorithms were modified as follows: an additional delta function term was included in the P 0 synthetic scattering kernel. The additional delta function term allows one more moments of the exact elastic scattering kernel to be preserved without much extra computational effort. With the improved synthetic scattering kernel, the flux returns more closely to the exact flux below a resonance than with the original MICROX kernel. The slowing-down calculation was extended to a true B 1 hyperfine energy grid calculatn in each region by using P 1 synthetic scattering kernels and tranport-corrected P 0 collision probabilities to couple the two regions. 1 figure, 6 tables

Stable Isotope Mass Balance of the Laurentian Great Lakes to Constrain Evaporative Losses

Energy Technology Data Exchange (ETDEWEB)

Jasechko, S. [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, Ontario and Alberta Innovates, Technology Futures, Victoria, British Columbia (Canada); Gibson, J. J. [Canada Alberta Innovates, Technology Futures, Victoria, British Columbia and Department of Geography, University of Victoria, Victoria, British Columbia (Canada); Pietroniro, A. [National Water Research Institute, Environment Canada, Saskatoon, Saskatchewan (Canada); Edwards, T.W D. [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, Ontario (Canada)

2013-07-15

Evaporation is an important yet poorly constrained component of the water budget of the Laurentian Great Lakes, but is known historically to have a significant impact on regional climate, including enhanced humidity and downwind lake effect precipitation. Sparse over lake climate monitoring continues to limit ability to quantify bulk lake evaporation and precipitation rates by physical measurements, impeded by logistical difficulties and costs of instrumenting large areas of open water (10{sup 3}-10{sup 5} km2). Measurements of stable isotopes of oxygen and hydrogen in water samples of precipitation and surface waters within the great lakes basin are used to better understand the controls on the region's water cycle. A stable isotope mass balance approach to calculate long term evaporation as a proportion of input to each lake is discussed. The approach capitalizes on the well understood systematic isotopic separation of an evaporating water body, but includes added considerations for internal recycling of evaporated moisture in the overlying atmosphere that should be incorporated for surface waters sufficiently large to significantly influence surrounding climate. (author)

Calculation of reactivity using a finite impulse response filter

Energy Technology Data Exchange (ETDEWEB)

Suescun Diaz, Daniel [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, CEP 21941-914, RJ (Brazil); Senra Martinez, Aquilino [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, CEP 21941-914, RJ (Brazil)], E-mail: aquilino@lmp.ufrj.br; Carvalho Da Silva, Fernando [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, CEP 21941-914, RJ (Brazil)

2008-03-15

A new formulation is presented in this paper to solve the inverse kinetics equation. This method is based on the Laplace transform of the point kinetics equations, resulting in an expression equivalent to the inverse kinetics equation as a function of the power history. Reactivity can be written in terms of the summation of convolution with response to impulse, characteristic of a linear system. For its digital form the Z-transform is used, which is the discrete version of the Laplace transform. This new method of reactivity calculation has very special features, amongst which it can be pointed out that the linear part is characterized by a filter named finite impulse response (FIR). The FIR filter will always be, stable and non-varying in time, and, apart from this, it can be implemented in the non-recursive form. This type of implementation does not require feedback, allowing the calculation of reactivity in a continuous way.

Hierarchical Model for the Similarity Measurement of a Complex Holed-Region Entity Scene

Directory of Open Access Journals (Sweden)

Zhanlong Chen

2017-11-01

Full Text Available Complex multi-holed-region entity scenes (i.e., sets of random region with holes are common in spatial database systems, spatial query languages, and the Geographic Information System (GIS. A multi-holed-region (region with an arbitrary number of holes is an abstraction of the real world that primarily represents geographic objects that have more than one interior boundary, such as areas that contain several lakes or lakes that contain islands. When the similarity of the two complex holed-region entity scenes is measured, the number of regions in the scenes and the number of holes in the regions are usually different between the two scenes, which complicates the matching relationships of holed-regions and holes. The aim of this research is to develop several holed-region similarity metrics and propose a hierarchical model to measure comprehensively the similarity between two complex holed-region entity scenes. The procedure first divides a complex entity scene into three layers: a complex scene, a micro-spatial-scene, and a simple entity (hole. The relationships between the adjacent layers are considered to be sets of relationships, and each level of similarity measurements is nested with the adjacent one. Next, entity matching is performed from top to bottom, while the similarity results are calculated from local to global. In addition, we utilize position graphs to describe the distribution of the holed-regions and subsequently describe the directions between the holes using a feature matrix. A case study that uses the Great Lakes in North America in 1986 and 2015 as experimental data illustrates the entire similarity measurement process between two complex holed-region entity scenes. The experimental results show that the hierarchical model accounts for the relationships of the different layers in the entire complex holed-region entity scene. The model can effectively calculate the similarity of complex holed-region entity scenes, even if the

A 3D Fractional-Order Chaotic System with Only One Stable Equilibrium and Controlling Chaos

Directory of Open Access Journals (Sweden)

Shiyun Shen

2017-01-01

Full Text Available One 3D fractional-order chaotic system with only one locally asymptotically stable equilibrium is reported. To verify the chaoticity, the maximum Lyapunov exponent (MAXLE with respect to the fractional-order and chaotic attractors are obtained by numerical calculation for this system. Furthermore, by linear scalar controller consisting of a single state variable, one control scheme for stabilization of the 3D fractional-order chaotic system is suggested. The numerical simulations show the feasibility of the control scheme.

A simple method for calculation of Glauber's amplitude

International Nuclear Information System (INIS)

Omboo, Z.

1983-01-01

A method of calculating the terms of Glauber series expansions for elastic scattering of composed systems are presented. The inclusion of general scattering diagram simplifies essentially the calculation procedure. In this case the complicated combinatorical problem of reduction of similar terms in Glauber series is solved easily and determinant corresponding to various terms of the series decreases at least by a factor of two, if numbers of constituents of scattered systems are equal. If these numbers are not equal, the determinant order is equal to the smallest one

COPDIRC - calculation of particle deposition in reactor coolants

International Nuclear Information System (INIS)

Reeks, M.W.

1982-06-01

A description is given of a computer code COPDIRC intended for the calculation of the deposition of particulate onto smooth perfectly sticky surfaces in a gas cooled reactor coolant. The deposition is assumed to be limited by transport in the boundary layer adjacent to the depositing surface. This implies that the deposition velocity normalised with respect to the local friction velocity, is an almost universal function of the normalised particle relaxation time. Deposition is assumed similar to deposition in an equivalent smooth perfectly absorbing pipe. The deposition is calculated using 2 models. (author)

Implementation of an implicit method into heat conduction calculation of TRAC-PF1/MOD2 code

International Nuclear Information System (INIS)

Akimoto, Hajime; Abe, Yutaka; Ohnuki, Akira; Murao, Yoshio

1990-08-01

A two-dimensional unsteady heat conduction equation is solved in the TRAC-PF/MOD2 code to calculate temperature transients in fuel rod. A large CPU time is often required to get stable solution of temperature transients in the TRAC calculation with a small axial node size (less than 1.0 mm), because the heat conduction equation is discretized explicitly. To eliminate the restriction of the maximum time step size by the heat conduction calculation, an implicit method for solving the heat condition equation was developed and implemented into the TRAC code. Several assessment calculations were performed with the original and modified TRAC codes. It is confirmed that the implicit method is reliable and is successfully implemented into the TRAC code through comparison with theoretical solutions and assessment calculation results. It is demonstrated that the implicit method makes the heat conduction calculation practical even for the analyses of temperature transients with the axial node size less than 0.1 mm. (author)

New methods to enhance cerebral flow maps made by the stable xenon/CT technique

International Nuclear Information System (INIS)

Wist, A.O.; Fatouros, P.P.; Kishore, P.R.S.; Weiss, J.; Cothran, S.J.

1987-01-01

The authors developed several new techniques to extract the important information of the high-resolution flow maps as they are being generated by our improved stable Xe/CT technique. First, they adapted a new morphologic filtering technique to separate white, white/gray and gray matter. Second, they generated iso-flow lines using the same filtering technique for easier reading of the values in the flow map. Third, by combining the information in both maps, the authors constructed a new map which shows the areas of high, normal, and low blood flow for the whole brain. When combined with anatomic information, the information in the map can indicate the probable pathologic areas. Fourth, they were able to reduce the calculation time of the flow by almost a factor of 10 by developing a new, faster algorithm for calculating the flow

Particle-in-cell vs straight line Gaussian calculations for an area of complex topography

International Nuclear Information System (INIS)

Lange, R.; Sherman, C.

1977-01-01

Two numerical models for the calculation of time integrated air concentraton and ground deposition of airborne radioactive effluent releases are compared. The time dependent Particle-in-Cell (PIC) model and the steady state Gaussian plume model were used for the simulation. The area selected for the comparison was the Hudson River Valley, New York. Input for the models was synthesized from meteorological data gathered in previous studies by various investigators. It was found that the PIC model more closely simulated the three-dimensional effects of the meteorology and topography. Overall, the Gaussian model calculated higher concentrations under stable conditions. In addition, because of its consideration of exposure from the returning plume after flow reversal, the PIC model calculated air concentrations over larger areas than did the Gaussian model

Assessment of the effects of cage fish-farming on damselfish-associated food chains using stable-isotope analyses

International Nuclear Information System (INIS)

Jan, Rong-Quen; Kao, Shuh-Ji; Dai, Chang-Feng; Ho, Cheng-Tze

2014-01-01

Highlights: • Damselfishes living at sites near a cage farm bore lower δ 13 C and higher δ 15 N. • Similar trends occurred in zooplankton and detritus, major foods for damselfishes. • δ 15 N enrichment in fish may have arisen from the uptake of excess feed and prey. • Farm wastes were documented entering the ecosystem through the pelagic food chain. • No clear evidence of the effects of cage farming on stable isotopes in macroalgae. - Abstract: To assess the effect of cage fish-farming on the coral reef ecosystem off Xiaoliuchiu Island, southern Taiwan, geographical differences in the food chain of each of two damselfishes, Pomacentrus vaiuli and Chromis margaritifer, were examined using a stable-isotope approach. For each damselfish, individuals were found to consume similar foods at all sites. However, specimens collected at sites near the cage farm (as the experimental sites) exhibited lower δ 13 C and higher δ 15 N signatures compared to those from reference sites. Similar trends also occurred in the zooplankton and detritus, two major food sources for both damselfishes. This finding indicates that particulate organic matter released by the farm may have entered the coral reef ecosystem through the pelagic food chain. Artificial reef emplacement is recommended to provide extra habitats under cage farms to support additional pelagic-feeding fish populations, thereby reducing environmental impacts of cage farming on coral reefs

Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species

Directory of Open Access Journals (Sweden)

Jha Prashant

2009-08-01

Full Text Available Abstract Background Quantum mechanical calculations were performed on a variety of uranium species representing U(VI, U(V, U(IV, U-carbonates, U-phosphates, U-oxalates, U-catecholates, U-phosphodiesters, U-phosphorylated N-acetyl-glucosamine (NAG, and U-2-Keto-3-doxyoctanoate (KDO with explicit solvation by H2O molecules. These models represent major U species in natural waters and complexes on bacterial surfaces. The model results are compared to observed EXAFS, IR, Raman and NMR spectra. Results Agreement between experiment and theory is acceptable in most cases, and the reasons for discrepancies are discussed. Calculated Gibbs free energies are used to constrain which configurations are most likely to be stable under circumneutral pH conditions. Reduction of U(VI to U(IV is examined for the U-carbonate and U-catechol complexes. Conclusion Results on the potential energy differences between U(V- and U(IV-carbonate complexes suggest that the cause of slower disproportionation in this system is electrostatic repulsion between UO2 [CO3]35- ions that must approach one another to form U(VI and U(IV rather than a change in thermodynamic stability. Calculations on U-catechol species are consistent with the observation that UO22+ can oxidize catechol and form quinone-like species. In addition, outer-sphere complexation is predicted to be the most stable for U-catechol interactions based on calculated energies and comparison to 13C NMR spectra. Outer-sphere complexes (i.e., ion pairs bridged by water molecules are predicted to be comparable in Gibbs free energy to inner-sphere complexes for a model carboxylic acid. Complexation of uranyl to phosphorus-containing groups in extracellular polymeric substances is predicted to favor phosphonate groups, such as that found in phosphorylated NAG, rather than phosphodiesters, such as those in nucleic acids.

TopoToolbox: using sensor topography to calculate psychologically meaningful measures from event-related EEG/MEG.

Science.gov (United States)

Tian, Xing; Poeppel, David; Huber, David E

2011-01-01

The open-source toolbox "TopoToolbox" is a suite of functions that use sensor topography to calculate psychologically meaningful measures (similarity, magnitude, and timing) from multisensor event-related EEG and MEG data. Using a GUI and data visualization, TopoToolbox can be used to calculate and test the topographic similarity between different conditions (Tian and Huber, 2008). This topographic similarity indicates whether different conditions involve a different distribution of underlying neural sources. Furthermore, this similarity calculation can be applied at different time points to discover when a response pattern emerges (Tian and Poeppel, 2010). Because the topographic patterns are obtained separately for each individual, these patterns are used to produce reliable measures of response magnitude that can be compared across individuals using conventional statistics (Davelaar et al. Submitted and Huber et al., 2008). TopoToolbox can be freely downloaded. It runs under MATLAB (The MathWorks, Inc.) and supports user-defined data structure as well as standard EEG/MEG data import using EEGLAB (Delorme and Makeig, 2004).

Efficient and stable laser-driven white lighting

Directory of Open Access Journals (Sweden)

Kristin A. Denault

2013-07-01

Full Text Available Laser-based white lighting offers a viable option as an efficient and color-stable high-power solid-state white light source. We show that white light generation is possible using blue or near-UV laser diodes in combination with yellow-emitting cerium-substituted yttrium aluminum garnet (YAG:Ce or a mixture of red-, green-, and blue-emitting phosphors. A variety of correlated color temperatures (CCT are achieved, ranging from cool white light with a CCT of 4400 K using a blue laser diode to a warm white light with a CCT of 2700 K using a near-UV laser diode, with respective color rendering indices of 57 and 95. The luminous flux of these devices are measured to be 252 lm and 53 lm with luminous efficacies of 76 lm/W and 19 lm/W, respectively. An estimation of the maximum efficacy of a device comprising a blue laser diode in combination with YAG:Ce is calculated and the results are used to optimize the device.

Calculation and experimental investigation of multi-component ceramic systems

International Nuclear Information System (INIS)

Rother, M.

1994-12-01

This work shows a way to combine thermodynamic calculations and experiments in order to get useful information on the constitution of metal/non-metal systems. Many data from literature are critically evaluated and used as a basis for experiments and calculations. The following multi-component systems are treated: 1. Multi-component systems of 'ceramic' materials with partially metallic bonding (carbides, nitrides, oxides, borides, carbonitrides, borocarbides, oxinitrides of the 4-8th transition group metals) 2. multi-component systems of non-metallic materials with dominant covalent bonding (SiC, Si 3 N 4 , SiB 6 , BN, Al 4 C 3 , Be 2 C) 3. multi-component systems of non-metallic materials with dominant heteropolar bonding (Al 2 O 3 , TiO 2 , BeO, SiO 2 , ZrO 2 ). The interactions between 1. and 2., 2. and 3., 1. and 3. are also considered. The latest commercially available programmes for the calculation of thermodynamical equilibria and phase diagrams are evaluated and compared considering their facilities and limits. New phase diagrams are presented for many presently unknown multi-component systems; partly known systems are completed on the basis of selected thermodynamic data. The calculations are verified by experimental investigations (metallurgical and powder technology methods). Altogether 690 systems are evaluated, 126 are calculated for the first time and 52 systems are experimentally verified. New data for 60 ternary phases are elaborated by estimating the data limits for the Gibbs energy values. A synthesis of critical evaluation of literature, calculations and experiments leads to new important information about equilibria and reaction behaviour in multi-component systems. This information is necessary to develop new stable and metastable materials. (orig./MM) [de

Calculation and analysis of thermodynamic relations for superconductors

International Nuclear Information System (INIS)

Nazarenko, A.B.

1989-01-01

The absorption coefficients of high-frequency and low-frequency sound have been calculated on the basis of the Ginzburg-Landau theory. This sound is a wave of periodic adiabatic bulk compressions and rarefactions of the frequency ω in an isotropic superconductor near the transition temperature. Thermodynamic relations have been obtained for abrupt changes in the physical quantities produced as a result of a transition from the normal state to the superconducting state. These relations are similar to the Ehrenfest relations. The above--mentioned thermodynamic quantities are compared with the published experimental results on YBa 2 Cu 3 O 7-δ . The experiments on the absorption of ultrasound in recently discovered superconductors mainformation on the phase transition type and thermodynamic relations for these superconductors, in particular, the T c -vs-dp curve. Similar calculations have been carried out for 2 He-transition experiments with ferromagnetic materials. The order parameter in the thermodynamic potential was assumed to be isotropic

Metabolic studies in man using stable isotopes

International Nuclear Information System (INIS)

Faust, H.; Jung, K.; Krumbiegel, P.

1993-01-01

In this project, stable isotope compounds and stable isotope pharmaceuticals were used (with emphasis on the application of 15 N) to study several aspects of nitrogen metabolism in man. Of the many methods available, the 15 N stable isotope tracer technique holds a special position because the methodology for application and nitrogen isotope analysis is proven and reliable. Valid routine methods using 15 N analysis by emission spectrometry have been demonstrated. Several methods for the preparation of biological material were developed during our participation in the Coordinated Research Programme. In these studies, direct procedures (i.e. use of diluted urine as a samples without chemical preparation) or rapid isolation methods were favoured. Within the scope of the Analytical Quality Control Service (AQCS) enriched stable isotope reference materials for medical and biological studies were prepared and are now available through the International Atomic Energy Agency. The materials are of special importance as the increasing application of stable isotopes as tracers in medical, biological and agricultural studies has focused interest on reliable measurements of biological material of different origin. 24 refs

Stable isotope research pool inventory

International Nuclear Information System (INIS)

1982-01-01

This report contains a listing of electromagnetically separated stable isotopes which are available for distribution within the United States for nondestructive research use from the Oak Ridge National Laboratory on a loan basis. This inventory includes all samples of stable isotopes in the Material Research Collection and does not designate whether a sample is out on loan or in reprocessing. For some of the high abundance naturally occurring isotopes, larger amounts can be made available; for example, Ca-40 and Fe-56

Comparison of analytic source models for head scatter factor calculation and planar dose calculation for IMRT

International Nuclear Information System (INIS)

Yan Guanghua; Liu, Chihray; Lu Bo; Palta, Jatinder R; Li, Jonathan G

2008-01-01

The purpose of this study was to choose an appropriate head scatter source model for the fast and accurate independent planar dose calculation for intensity-modulated radiation therapy (IMRT) with MLC. The performance of three different head scatter source models regarding their ability to model head scatter and facilitate planar dose calculation was evaluated. A three-source model, a two-source model and a single-source model were compared in this study. In the planar dose calculation algorithm, in-air fluence distribution was derived from each of the head scatter source models while considering the combination of Jaw and MLC opening. Fluence perturbations due to tongue-and-groove effect, rounded leaf end and leaf transmission were taken into account explicitly. The dose distribution was calculated by convolving the in-air fluence distribution with an experimentally determined pencil-beam kernel. The results were compared with measurements using a diode array and passing rates with 2%/2 mm and 3%/3 mm criteria were reported. It was found that the two-source model achieved the best agreement on head scatter factor calculation. The three-source model and single-source model underestimated head scatter factors for certain symmetric rectangular fields and asymmetric fields, but similar good agreement could be achieved when monitor back scatter effect was incorporated explicitly. All the three source models resulted in comparable average passing rates (>97%) when the 3%/3 mm criterion was selected. The calculation with the single-source model and two-source model was slightly faster than the three-source model due to their simplicity

Comparison of analytic source models for head scatter factor calculation and planar dose calculation for IMRT

Energy Technology Data Exchange (ETDEWEB)

Yan Guanghua [Department of Nuclear and Radiological Engineering, University of Florida, Gainesville, FL 32611 (United States); Liu, Chihray; Lu Bo; Palta, Jatinder R; Li, Jonathan G [Department of Radiation Oncology, University of Florida, Gainesville, FL 32610-0385 (United States)

2008-04-21

The purpose of this study was to choose an appropriate head scatter source model for the fast and accurate independent planar dose calculation for intensity-modulated radiation therapy (IMRT) with MLC. The performance of three different head scatter source models regarding their ability to model head scatter and facilitate planar dose calculation was evaluated. A three-source model, a two-source model and a single-source model were compared in this study. In the planar dose calculation algorithm, in-air fluence distribution was derived from each of the head scatter source models while considering the combination of Jaw and MLC opening. Fluence perturbations due to tongue-and-groove effect, rounded leaf end and leaf transmission were taken into account explicitly. The dose distribution was calculated by convolving the in-air fluence distribution with an experimentally determined pencil-beam kernel. The results were compared with measurements using a diode array and passing rates with 2%/2 mm and 3%/3 mm criteria were reported. It was found that the two-source model achieved the best agreement on head scatter factor calculation. The three-source model and single-source model underestimated head scatter factors for certain symmetric rectangular fields and asymmetric fields, but similar good agreement could be achieved when monitor back scatter effect was incorporated explicitly. All the three source models resulted in comparable average passing rates (>97%) when the 3%/3 mm criterion was selected. The calculation with the single-source model and two-source model was slightly faster than the three-source model due to their simplicity.

Exact simulation of max-stable processes.

Science.gov (United States)

Dombry, Clément; Engelke, Sebastian; Oesting, Marco

2016-06-01

Max-stable processes play an important role as models for spatial extreme events. Their complex structure as the pointwise maximum over an infinite number of random functions makes their simulation difficult. Algorithms based on finite approximations are often inexact and computationally inefficient. We present a new algorithm for exact simulation of a max-stable process at a finite number of locations. It relies on the idea of simulating only the extremal functions, that is, those functions in the construction of a max-stable process that effectively contribute to the pointwise maximum. We further generalize the algorithm by Dieker & Mikosch (2015) for Brown-Resnick processes and use it for exact simulation via the spectral measure. We study the complexity of both algorithms, prove that our new approach via extremal functions is always more efficient, and provide closed-form expressions for their implementation that cover most popular models for max-stable processes and multivariate extreme value distributions. For simulation on dense grids, an adaptive design of the extremal function algorithm is proposed.

Similarly shaped letters evoke similar colors in grapheme-color synesthesia.

Science.gov (United States)

Brang, David; Rouw, Romke; Ramachandran, V S; Coulson, Seana

2011-04-01

Grapheme-color synesthesia is a neurological condition in which viewing numbers or letters (graphemes) results in the concurrent sensation of color. While the anatomical substrates underlying this experience are well understood, little research to date has investigated factors influencing the particular colors associated with particular graphemes or how synesthesia occurs developmentally. A recent suggestion of such an interaction has been proposed in the cascaded cross-tuning (CCT) model of synesthesia, which posits that in synesthetes connections between grapheme regions and color area V4 participate in a competitive activation process, with synesthetic colors arising during the component-stage of grapheme processing. This model more directly suggests that graphemes sharing similar component features (lines, curves, etc.) should accordingly activate more similar synesthetic colors. To test this proposal, we created and regressed synesthetic color-similarity matrices for each of 52 synesthetes against a letter-confusability matrix, an unbiased measure of visual similarity among graphemes. Results of synesthetes' grapheme-color correspondences indeed revealed that more similarly shaped graphemes corresponded with more similar synesthetic colors, with stronger effects observed in individuals with more intense synesthetic experiences (projector synesthetes). These results support the CCT model of synesthesia, implicate early perceptual mechanisms as driving factors in the elicitation of synesthetic hues, and further highlight the relationship between conceptual and perceptual factors in this phenomenon. Copyright © 2011 Elsevier Ltd. All rights reserved.

Stable water isotope and surface heat flux simulation using ISOLSM: Evaluation against in-situ measurements

KAUST Repository

Cai, Mick Y.; Wang, Lixin; Parkes, Stephen; Strauss, Josiah; McCabe, Matthew; Evans, Jason P.; Griffiths, Alan D.

2015-01-01

The stable isotopes of water are useful tracers of water sources and hydrological processes. Stable water isotope-enabled land surface modeling is a relatively new approach for characterizing the hydrological cycle, providing spatial and temporal variability for a number of hydrological processes. At the land surface, the integration of stable water isotopes with other meteorological measurements can assist in constraining surface heat flux estimates and discriminate between evaporation (E) and transpiration (T). However, research in this area has traditionally been limited by a lack of continuous in-situ isotopic observations. Here, the National Centre for Atmospheric Research stable isotope-enabled Land Surface Model (ISOLSM) is used to simulate the water and energy fluxes and stable water isotope variations. The model was run for a period of one month with meteorological data collected from a coastal sub-tropical site near Sydney, Australia. The modeled energy fluxes (latent heat and sensible heat) agreed reasonably well with eddy covariance observations, indicating that ISOLSM has the capacity to reproduce observed flux behavior. Comparison of modeled isotopic compositions of evapotranspiration (ET) against in-situ Fourier Transform Infrared spectroscopy (FTIR) measured bulk water vapor isotopic data (10. m above the ground), however, showed differences in magnitude and temporal patterns. The disparity is due to a small contribution from local ET fluxes to atmospheric boundary layer water vapor (~1% based on calculations using ideal gas law) relative to that advected from the ocean for this particular site. Using ISOLSM simulation, the ET was partitioned into E and T with 70% being T. We also identified that soil water from different soil layers affected T and E differently based on the simulated soil isotopic patterns, which reflects the internal working of ISOLSM. These results highlighted the capacity of using the isotope-enabled models to discriminate

Stable water isotope and surface heat flux simulation using ISOLSM: Evaluation against in-situ measurements

KAUST Repository

Cai, Mick Y.

2015-04-01

The stable isotopes of water are useful tracers of water sources and hydrological processes. Stable water isotope-enabled land surface modeling is a relatively new approach for characterizing the hydrological cycle, providing spatial and temporal variability for a number of hydrological processes. At the land surface, the integration of stable water isotopes with other meteorological measurements can assist in constraining surface heat flux estimates and discriminate between evaporation (E) and transpiration (T). However, research in this area has traditionally been limited by a lack of continuous in-situ isotopic observations. Here, the National Centre for Atmospheric Research stable isotope-enabled Land Surface Model (ISOLSM) is used to simulate the water and energy fluxes and stable water isotope variations. The model was run for a period of one month with meteorological data collected from a coastal sub-tropical site near Sydney, Australia. The modeled energy fluxes (latent heat and sensible heat) agreed reasonably well with eddy covariance observations, indicating that ISOLSM has the capacity to reproduce observed flux behavior. Comparison of modeled isotopic compositions of evapotranspiration (ET) against in-situ Fourier Transform Infrared spectroscopy (FTIR) measured bulk water vapor isotopic data (10. m above the ground), however, showed differences in magnitude and temporal patterns. The disparity is due to a small contribution from local ET fluxes to atmospheric boundary layer water vapor (~1% based on calculations using ideal gas law) relative to that advected from the ocean for this particular site. Using ISOLSM simulation, the ET was partitioned into E and T with 70% being T. We also identified that soil water from different soil layers affected T and E differently based on the simulated soil isotopic patterns, which reflects the internal working of ISOLSM. These results highlighted the capacity of using the isotope-enabled models to discriminate

[Calculating Pearson residual in logistic regressions: a comparison between SPSS and SAS].

Science.gov (United States)

Xu, Hao; Zhang, Tao; Li, Xiao-song; Liu, Yuan-yuan

2015-01-01

To compare the results of Pearson residual calculations in logistic regression models using SPSS and SAS. We reviewed Pearson residual calculation methods, and used two sets of data to test logistic models constructed by SPSS and STATA. One model contained a small number of covariates compared to the number of observed. The other contained a similar number of covariates as the number of observed. The two software packages produced similar Pearson residual estimates when the models contained a similar number of covariates as the number of observed, but the results differed when the number of observed was much greater than the number of covariates. The two software packages produce different results of Pearson residuals, especially when the models contain a small number of covariates. Further studies are warranted.

Suspect filler similarity in eyewitness lineups: a literature review and a novel methodology.

Science.gov (United States)

Fitzgerald, Ryan J; Oriet, Chris; Price, Heather L

2015-02-01

Eyewitness lineups typically contain a suspect (guilty or innocent) and fillers (known innocents). The degree to which fillers should resemble the suspect is a complex issue that has yet to be resolved. Previously, researchers have voiced concern that eyewitnesses would be unable to identify their target from a lineup containing highly similar fillers; however, our literature review suggests highly similar fillers have only rarely been shown to have this effect. To further examine the effect of highly similar fillers on lineup responses, we used morphing software to create fillers of moderately high and very high similarity to the suspect. When the culprit was in the lineup, a higher correct identification rate was observed in moderately high similarity lineups than in very high similarity lineups. When the culprit was absent, similarity did not yield a significant effect on innocent suspect misidentification rates. However, the correct rejection rate in the moderately high similarity lineup was 20% higher than in the very high similarity lineup. When choosing rates were controlled by calculating identification probabilities for only those who made a selection from the lineup, culprit identification rates as well as innocent suspect misidentification rates were significantly higher in the moderately high similarity lineup than in the very high similarity lineup. Thus, very high similarity fillers yielded costs and benefits. Although our research suggests that selecting the most similar fillers available may adversely affect correct identification rates, we recommend additional research using fillers obtained from police databases to corroborate our findings.

Investigating Correlation between Protein Sequence Similarity and Semantic Similarity Using Gene Ontology Annotations.

Science.gov (United States)

Ikram, Najmul; Qadir, Muhammad Abdul; Afzal, Muhammad Tanvir

2018-01-01

Sequence similarity is a commonly used measure to compare proteins. With the increasing use of ontologies, semantic (function) similarity is getting importance. The correlation between these measures has been applied in the evaluation of new semantic similarity methods, and in protein function prediction. In this research, we investigate the relationship between the two similarity methods. The results suggest absence of a strong correlation between sequence and semantic similarities. There is a large number of proteins with low sequence similarity and high semantic similarity. We observe that Pearson's correlation coefficient is not sufficient to explain the nature of this relationship. Interestingly, the term semantic similarity values above 0 and below 1 do not seem to play a role in improving the correlation. That is, the correlation coefficient depends only on the number of common GO terms in proteins under comparison, and the semantic similarity measurement method does not influence it. Semantic similarity and sequence similarity have a distinct behavior. These findings are of significant effect for future works on protein comparison, and will help understand the semantic similarity between proteins in a better way.

Hybrid functional calculations of potential hydrogen storage material: Complex dimagnesium iron hydride

KAUST Repository

Ul Haq, Bakhtiar

2014-06-01

By employing the state of art first principles approaches, comprehensive investigations of a very promising hydrogen storage material, Mg 2FeH6 hydride, is presented. To expose its hydrogen storage capabilities, detailed structural, elastic, electronic, optical and dielectric aspects have been deeply analysed. The electronic band structure calculations demonstrate that Mg2FeH6 is semiconducting material. The obtained results of the optical bandgap (4.19 eV) also indicate that it is a transparent material for ultraviolet light, thus demonstrating its potential for optoelectronics application. The calculated elastic properties reveal that Mg2FeH6 is highly stiff and stable hydride. Finally, the calculated hydrogen (H2) storage capacity (5.47 wt.%) within a reasonable formation energy of -78 kJ mol-1, at room temperature, can be easily achievable, thus making Mg2FeH6 as potential material for practical H2 storage applications. Copyright © 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

Similarity transformed coupled cluster response (ST-CCR) theory--a time-dependent similarity transformed equation-of-motion coupled cluster (STEOM-CC) approach.

Science.gov (United States)

Landau, Arie

2013-07-07

This paper presents a new method for calculating spectroscopic properties in the framework of response theory utilizing a sequence of similarity transformations (STs). The STs are preformed using the coupled cluster (CC) and Fock-space coupled cluster operators. The linear and quadratic response functions of the new similarity transformed CC response (ST-CCR) method are derived. The poles of the linear response yield excitation-energy (EE) expressions identical to the ones in the similarity transformed equation-of-motion coupled cluster (STEOM-CC) approach. ST-CCR and STEOM-CC complement each other, in analogy to the complementarity of CC response (CCR) and equation-of-motion coupled cluster (EOM-CC). ST-CCR/STEOM-CC and CCR/EOM-CC yield size-extensive and size-intensive EEs, respectively. Other electronic-properties, e.g., transition dipole strengths, are also size-extensive within ST-CCR, in contrast to STEOM-CC. Moreover, analysis suggests that in comparison with CCR, the ST-CCR expressions may be confined to a smaller subspace, however, the precise scope of the truncation can only be determined numerically. In addition, reformulation of the time-independent STEOM-CC using the same parameterization as in ST-CCR, as well as an efficient truncation scheme, is presented. The shown convergence of the time-dependent and time-independent expressions displays the completeness of the presented formalism.

A similarity measure method combining location feature for mammogram retrieval.

Science.gov (United States)

Wang, Zhiqiong; Xin, Junchang; Huang, Yukun; Li, Chen; Xu, Ling; Li, Yang; Zhang, Hao; Gu, Huizi; Qian, Wei

2018-05-28

Breast cancer, the most common malignancy among women, has a high mortality rate in clinical practice. Early detection, diagnosis and treatment can reduce the mortalities of breast cancer greatly. The method of mammogram retrieval can help doctors to find the early breast lesions effectively and determine a reasonable feature set for image similarity measure. This will improve the accuracy effectively for mammogram retrieval. This paper proposes a similarity measure method combining location feature for mammogram retrieval. Firstly, the images are pre-processed, the regions of interest are detected and the lesions are segmented in order to get the center point and radius of the lesions. Then, the method, namely Coherent Point Drift, is used for image registration with the pre-defined standard image. The center point and radius of the lesions after registration are obtained and the standard location feature of the image is constructed. This standard location feature can help figure out the location similarity between the image pair from the query image to each dataset image in the database. Next, the content feature of the image is extracted, including the Histogram of Oriented Gradients, the Edge Direction Histogram, the Local Binary Pattern and the Gray Level Histogram, and the image pair content similarity can be calculated using the Earth Mover's Distance. Finally, the location similarity and content similarity are fused to form the image fusion similarity, and the specified number of the most similar images can be returned according to it. In the experiment, 440 mammograms, which are from Chinese women in Northeast China, are used as the database. When fusing 40% lesion location feature similarity and 60% content feature similarity, the results have obvious advantages. At this time, precision is 0.83, recall is 0.76, comprehensive indicator is 0.79, satisfaction is 96.0%, mean is 4.2 and variance is 17.7. The results show that the precision and recall of this

Stable isotope mass spectrometry in petroleum exploration

International Nuclear Information System (INIS)

Mathur, Manju

1997-01-01

The stable isotope mass spectrometry plays an important role to evaluate the stable isotopic composition of hydrocarbons. The isotopic ratios of certain elements in petroleum samples reflect certain characteristics which are useful for petroleum exploration

Anomalous doping effect in black phosphorene using first-principles calculations.

Science.gov (United States)

Yu, Weiyang; Zhu, Zhili; Niu, Chun-Yao; Li, Chong; Cho, Jun-Hyung; Jia, Yu

2015-07-07

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find that the electronic properties of phosphorene are drastically modified by the number of valence electrons in dopant atoms. The dopants with an even number of valence electrons enable the doped phosphorenes to have a metallic feature, while the dopants with an odd number of valence electrons retain a semiconducting feature. This even-odd oscillating behavior is attributed to the peculiar bonding characteristics of phosphorene and the strong hybridization of sp orbitals between dopants and phosphorene. Furthermore, the calculated formation energies of various substitutional dopants in phosphorene show that such doped systems can be thermodynamically stable. These results propose an intriguing route to tune the transport properties of electronic and photoelectronic devices based on phosphorene.

An attempt to characterize certain organic and mineral substances by their stable isotope composition

International Nuclear Information System (INIS)

Bricout, J.; Fontes, J.C.; Letolle, R.; Mariotti, A.; Merlivat, L.

1975-01-01

The determination of the relative abundance of various stable isotopes - deuterium, oxygen-18, carbon-13, nitrogen-15, sulphur-34 - can be used to characterize the origin of a water body and of an organic or mineral substance in the environment. This results from the discovery that isotopic fractioning by living organisms occurs. The stable isotope composition of any substance reflects, at least partly, the various stages of its formation. A number of examples supporting this hypothesis are given. The passage of water through plants, or alcoholic fermentation, substantially modifies the stable isotope composition of water. The assimilation of atmospheric carbon dioxide involves a reduction in the carbon-13 content which varies depending on the enzymatic mechanism of photosynthesis. The enzymatic reactions that cause the biosynthesis of various organic substances in higher plants are accompanied by partial exclusion of deuterium, an exclusion which is greater or smaller depending on the biosynthesis pathway followed. The bacterial reduction of sulphur compounds involves a high rate of isotopic fractioning. As a result, industrial sulphates obtained by oxidation of reduced sulphur associated with hydrocarbon deposits are depleted in 34 S in comparison with natural sulphates. Similarly, the authors have observed that nitrates produced by the plant biological cycle are rich in nitrogen-15 compared to synthesized nitrates

New Similarity Functions

DEFF Research Database (Denmark)

Yazdani, Hossein; Ortiz-Arroyo, Daniel; Kwasnicka, Halina

2016-01-01

spaces, in addition to their similarity in the vector space. Prioritized Weighted Feature Distance (PWFD) works similarly as WFD, but provides the ability to give priorities to desirable features. The accuracy of the proposed functions are compared with other similarity functions on several data sets....... Our results show that the proposed functions work better than other methods proposed in the literature....

A stable algorithm for calculating phase equilibria with capillarity at specified moles, volume and temperature using a dynamic model

KAUST Repository

Kou, Jisheng; Sun, Shuyu

2017-01-01

Capillary pressure can significantly affect the phase properties and flow of liquid-gas fluids in porous media, and thus, the phase equilibrium calculation incorporating capillary pressure is crucial to simulate such problems accurately. Recently

Detection limit calculations for different total reflection techniques

International Nuclear Information System (INIS)

Sanchez, H.J.

2000-01-01

In this work, theoretical calculations of detection limits for different total-reflection techniques are presented.. Calculations include grazing incidence (TXRF) and gracing exit (GEXRF) conditions. These calculations are compared with detection limits obtained for conventional x-ray fluorescence (XRF). In order to compute detection limits the Shiraiwa and Fujino's model to calculate x-ray fluorescence intensities was used. This model made certain assumptions and approximations to achieve the calculations, specially in the case of the geometrical conditions of the sample, and the incident and takeoff beams. Nevertheless the calculated data of detection limits for conventional XRF and total-reflection XRF show a good agreement with previous results. The model proposed here allows to analyze the different sources of background and the influence of the excitation geometry, which contribute to the understanding of the physical processes involved in the XRF analysis by total reflection. Finally, a comparison between detection limits in total-reflection analysis at grazing incidence and at grazing exit is carried out. Here a good agreement with the theoretical predictions of the reversibility principle is found, showing that detection limits are similar for both techniques. (author)

Application of stable isotope analysis to study temporal changes in foraging ecology in a highly endangered amphibian.

Directory of Open Access Journals (Sweden)

J Hayley Gillespie

Full Text Available Understanding dietary trends for endangered species may be essential to assessing the effects of ecological disturbances such as habitat modification, species introductions or global climate change. Documenting temporal variation in prey selection may also be crucial for understanding population dynamics. However, the rarity, secretive behaviours and obscure microhabitats of some endangered species can make direct foraging observations difficult or impossible. Furthermore, the lethality or invasiveness of some traditional methods of dietary analysis (e.g. gut contents analysis, gastric lavage makes them inappropriate for such species. Stable isotope analysis facilitates non-lethal, indirect analysis of animal diet that has unrealized potential in the conservation of endangered organisms, particularly amphibians.I determined proportional contributions of aquatic macroinvertebrate prey to the diet of an endangered aquatic salamander Eurycea sosorum over a two-year period using stable isotope analysis of (13/12C and (15/14N and the Bayesian stable isotope mixing model SIAR. I calculated Strauss' dietary electivity indices by comparing these proportions with changing relative abundance of potential prey species through time. Stable isotope analyses revealed that a previously unknown prey item (soft-bodied planarian flatworms in the genus Dugesia made up the majority of E. sosorum diet. Results also demonstrate that E. sosorum is an opportunistic forager capable of diet switching to include a greater proportion of alternative prey when Dugesia populations decline. There is also evidence of intra-population dietary variation.Effective application of stable isotope analysis can help circumvent two key limitations commonly experienced by researchers of endangered species: the inability to directly observe these species in nature and the invasiveness or lethality of traditional methods of dietary analysis. This study illustrates the feasibility of stable

Emerging Hyperprolactinemic Galactorrhea in Obsessive Compulsive Disorder with a Stable Dose of Fluoxetine.

Science.gov (United States)

Chatterjee, Seshadri Sekhar; Mitra, Sayantanava; Mallik, Nitu

2015-12-31

While fluoxetine (FXT) is a frequently prescribed selective serotonin reuptake inhibitor (SSRI), with few major side-effects; altered serotonergic transmissions in hypothalamic pathways might lead to a distressing, and often embarrassing, manifestation of galactorrhea by altering prolactin release in those on FXT. We report here a case of FXT-induced hyperprolactinemic galactorrhea developing late into treatment on a stable regimen, who responded well to subsequent replacement with sertraline. Based on present finding, we suggest that while SSRIs may share similar mechanisms of action, there exist individual differences in their effects on prolactin secretion pathways.

Experimental and numerical investigations of stable crack growth of axial surface flaws in a pressure vessel

International Nuclear Information System (INIS)

Brocks, W.; Krafka, H.; Mueller, W.; Wobst, K.

1988-01-01

In connection with the problem of the transferability of parameters obtained experimentally with the help of fracture-mechanical test specimens and used for the initiation and the stable propagation of cracks in cases of pulsating stress and of the elasto-plastic behaviour of construction components, a pressure vessel with an inside diameter of 1500 mm, a cylindrical length of 3000 mm and a wall thickness of 40 mm was hydraulically loaded with the help of internal pressure in the first stage, to attain an average crack growth of 1 mm at Δ a ≅, the loading taking place at about 21deg C. This stress-free annealed vessel exhibited an axial semielliptical vibration-induced surface crack about 181 mm long and 20 mm deep, as a test defect, in a welded circular blank made of the steel 20MnMoNi 55. The fractographic analysis of the first stable crack revealed that its growth rate of Δa was highest in the area of transition from the weak to the strong bend of the crack front (55deg m /σ v (average principal stress: σ m , Mises' reference stress: σ v v). A comparison of the experimental with the numerical results from the first stable crack shows that the local stable crack growth Δa cannot be calculated solely with reference to J, because Δa appears to depend essentially on the quotient σ m /σ v . (orig./MM) [de

Multi-stable perception balances stability and sensitivity

Directory of Open Access Journals (Sweden)

Alexander ePastukhov

2013-03-01

Full Text Available We report that multi-stable perception operates in a consistent, dynamical regime, balancing the conflicting goals of stability and sensitivity. When a multi-stable visual display is viewed continuously, its phenomenal appearance reverses spontaneously at irregular intervals. We characterized the perceptual dynamics of individual observers in terms of four statistical measures: the distribution of dominance times (mean and variance and the novel, subtle dependence on prior history (correlation and time-constant.The dynamics of multi-stable perception is known to reflect several stabilizing and destabilizing factors. Phenomenologically, its main aspects are captured by a simplistic computational model with competition, adaptation, and noise. We identified small parameter volumes (~3% of the possible volume in which the model reproduced both dominance distribution and history-dependence of each observer. For 21 of 24 data sets, the identified volumes clustered tightly (~15% of the possible volume, revealing a consistent `operating regime' of multi-stable perception. The `operating regime' turned out to be marginally stable or, equivalently, near the brink of an oscillatory instability. The chance probability of the observed clustering was <0.02.To understand the functional significance of this empirical `operating regime', we compared it to the theoretical `sweet spot' of the model. We computed this `sweet spot' as the intersection of the parameter volumes in which the model produced stable perceptual outcomes and in which it was sensitive to input modulations. Remarkably, the empirical `operating regime' proved to be largely coextensive with the theoretical `sweet spot'. This demonstrated that perceptual dynamics was not merely consistent but also functionally optimized (in that it balances stability with sensitivity. Our results imply that multi-stable perception is not a laboratory curiosity, but reflects a functional optimization of perceptual

Similar strength of the NH⋯O and NH⋯S hydrogen bonds in binary complexes

DEFF Research Database (Denmark)

Andersen, Cecilie Lindholm; Jensen, Christine S.; Mackeprang, Kasper

2014-01-01

to be extremely small with only 5 and 19 cm-1 for DMA-DME and DMA-DMS, respectively. The experimentally determined integrated absorbance has been combined with a calculated oscillator strength to determine an equilibrium constant of 2 × 10-3 and 4 × 10-3 for the DMA-DME and DMA-DMS complexes, respectively....... The topological analyses reveal that several hydrogen bond interactions are present in the complexes. The calculated binding energies, geometric parameters, observed redshifts, and topological analyses suggest that oxygen and sulfur are hydrogen bond acceptors of similar strength. (Graph Presented)....

Analysing Stable Time Series

National Research Council Canada - National Science Library

Adler, Robert

1997-01-01

We describe how to take a stable, ARMA, time series through the various stages of model identification, parameter estimation, and diagnostic checking, and accompany the discussion with a goodly number...

Tukey max-stable processes for spatial extremes

KAUST Repository

Xu, Ganggang; Genton, Marc G.

2016-01-01

We propose a new type of max-stable process that we call the Tukey max-stable process for spatial extremes. It brings additional flexibility to modeling dependence structures among spatial extremes. The statistical properties of the Tukey max

Homophily in stable and unstable adolescent friendships: Similarity breeds constancy

NARCIS (Netherlands)

Hafen, C.A.; Laursen, B.; Burk, W.J.; Kerr, M.; Stattin, H.

2011-01-01

This study examines homophily among adolescent friends. Participants were drawn from a community-based sample of Swedish youth who ranged from 11 to 18 years old. A total of 436 girls and 338 boys identified their closest friends and described their own delinquent activities, intoxication frequency,

LEGO-Method--New Strategy for Chemistry Calculation

Science.gov (United States)

Molnar, Jozsef; Molnar-Hamvas, Livia

2011-01-01

The presented strategy of chemistry calculation is based on mole-concept, but it uses only one fundamental relationship of the amounts of substance as a basic panel. The name of LEGO-method comes from the famous toy of LEGO[R] because solving equations by grouping formulas is similar to that. The relations of mole and the molar amounts, as small…

Attention-based image similarity measure with application to content-based information retrieval

Science.gov (United States)

Stentiford, Fred W. M.

2003-01-01

Whilst storage and capture technologies are able to cope with huge numbers of images, image retrieval is in danger of rendering many repositories valueless because of the difficulty of access. This paper proposes a similarity measure that imposes only very weak assumptions on the nature of the features used in the recognition process. This approach does not make use of a pre-defined set of feature measurements which are extracted from a query image and used to match those from database images, but instead generates features on a trial and error basis during the calculation of the similarity measure. This has the significant advantage that features that determine similarity can match whatever image property is important in a particular region whether it be a shape, a texture, a colour or a combination of all three. It means that effort is expended searching for the best feature for the region rather than expecting that a fixed feature set will perform optimally over the whole area of an image and over every image in a database. The similarity measure is evaluated on a problem of distinguishing similar shapes in sets of black and white symbols.

Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm.

Science.gov (United States)

Skinnider, Michael A; Dejong, Chris A; Franczak, Brian C; McNicholas, Paul D; Magarvey, Nathan A

2017-08-16

Natural products represent a prominent source of pharmaceutically and industrially important agents. Calculating the chemical similarity of two molecules is a central task in cheminformatics, with applications at multiple stages of the drug discovery pipeline. Quantifying the similarity of natural products is a particularly important problem, as the biological activities of these molecules have been extensively optimized by natural selection. The large and structurally complex scaffolds of natural products distinguish their physical and chemical properties from those of synthetic compounds. However, no analysis of the performance of existing methods for molecular similarity calculation specific to natural products has been reported to date. Here, we present LEMONS, an algorithm for the enumeration of hypothetical modular natural product structures. We leverage this algorithm to conduct a comparative analysis of molecular similarity methods within the unique chemical space occupied by modular natural products using controlled synthetic data, and comprehensively investigate the impact of diverse biosynthetic parameters on similarity search. We additionally investigate a recently described algorithm for natural product retrobiosynthesis and alignment, and find that when rule-based retrobiosynthesis can be applied, this approach outperforms conventional two-dimensional fingerprints, suggesting it may represent a valuable approach for the targeted exploration of natural product chemical space and microbial genome mining. Our open-source algorithm is an extensible method of enumerating hypothetical natural product structures with diverse potential applications in bioinformatics.

Stable SUSY breaking model with O(10) eV gravitino from combined D-term gauge mediation and U(1)' mediation

International Nuclear Information System (INIS)

Nakayama, Yu

2008-01-01

We show a calculable example of stable supersymmetry (SUSY) breaking models with O(10) eV gravitino mass based on the combination of D-term gauge mediation and U(1)' mediation. A potential problem of the negative mass squared for the SUSY standard model (SSM) sfermions in the D-term gauge mediation is solved by the contribution from the U(1)' mediation. On the other hand, the splitting between the SSM gauginos and sfermions in the U(1)' mediation is circumvented by the contributions from the D-term gauge mediation. Since the U(1)' mediation does not introduce any new SUSY vacua, we achieve a completely stable model under thermal effects. Our model, therefore, has no cosmological difficulty

A Model for Comparative Analysis of the Similarity between Android and iOS Operating Systems

Directory of Open Access Journals (Sweden)

Lixandroiu R.

2014-12-01

Full Text Available Due to recent expansion of mobile devices, in this article we try to do an analysis of two of the most used mobile OSS. This analysis is made on the method of calculating Jaccard's similarity coefficient. To complete the analysis, we developed a hierarchy of factors in evaluating OSS. Analysis has shown that the two OSS are similar in terms of functionality, but there are a number of factors that weighted make a difference.

Structural stability and elastic properties of L12 Co3(Ga,W) precipitate from first-principle calculations

International Nuclear Information System (INIS)

Yao Qiang; Zhu Yuhong; Wang Yan

2011-01-01

Ultrasoft pseudopotential within a generalized gradient approximation was employed to study the structural stability, electronic structure, and elastic properties of ternary Co 3 (Ga,W) precipitate. The Young's and shear moduli of the polycrystals containing the Co 3 (Ga,W) precipitate were calculated using the Voigt-Reuss-Hill averaging scheme. Results show that the stable ternary Co 3 (Ga,W) compound has the L1 2 structure, and is ductile in nature. The structural stability of the Co 3 (Ga,W) compound is discussed together with the calculated electronic structure.

Stable isotope studies

International Nuclear Information System (INIS)

Ishida, T.

1992-01-01

The research has been in four general areas: (1) correlation of isotope effects with molecular forces and molecular structures, (2) correlation of zero-point energy and its isotope effects with molecular structure and molecular forces, (3) vapor pressure isotope effects, and (4) fractionation of stable isotopes. 73 refs, 38 figs, 29 tabs

A nomogram for predicting complications in patients with solid tumours and seemingly stable febrile neutropenia.

Science.gov (United States)

Fonseca, Paula Jiménez; Carmona-Bayonas, Alberto; García, Ignacio Matos; Marcos, Rosana; Castañón, Eduardo; Antonio, Maite; Font, Carme; Biosca, Mercè; Blasco, Ana; Lozano, Rebeca; Ramchandani, Avinash; Beato, Carmen; de Castro, Eva Martínez; Espinosa, Javier; Martínez-García, Jerónimo; Ghanem, Ismael; Cubero, Jorge Hernando; Manrique, Isabel Aragón; Navalón, Francisco García; Sevillano, Elena; Manzano, Aránzazu; Virizuela, Juan; Garrido, Marcelo; Mondéjar, Rebeca; Arcusa, María Ángeles; Bonilla, Yaiza; Pérez, Quionia; Gallardo, Elena; Del Carmen Soriano, Maria; Cardona, Mercè; Lasheras, Fernando Sánchez; Cruz, Juan Jesús; Ayala, Francisco

2016-05-24

We sought to develop and externally validate a nomogram and web-based calculator to individually predict the development of serious complications in seemingly stable adult patients with solid tumours and episodes of febrile neutropenia (FN). The data from the FINITE study (n=1133) and University of Salamanca Hospital (USH) FN registry (n=296) were used to develop and validate this tool. The main eligibility criterion was the presence of apparent clinical stability, defined as events without acute organ dysfunction, abnormal vital signs, or major infections. Discriminatory ability was measured as the concordance index and stratification into risk groups. The rate of infection-related complications in the FINITE and USH series was 13.4% and 18.6%, respectively. The nomogram used the following covariates: Eastern Cooperative Group (ECOG) Performance Status ⩾2, chronic obstructive pulmonary disease, chronic cardiovascular disease, mucositis of grade ⩾2 (National Cancer Institute Common Toxicity Criteria), monocytes 0.1). The concordance index was 0.855 and 0.831 in each series. Risk group stratification revealed a significant distinction in the proportion of complications. With a ⩾116-point cutoff, the nomogram yielded the following prognostic indices in the USH registry validation series: 66% sensitivity, 83% specificity, 3.88 positive likelihood ratio, 48% positive predictive value, and 91% negative predictive value. We have developed and externally validated a nomogram and web calculator to predict serious complications that can potentially impact decision-making in patients with seemingly stable FN.

Calculation of displacement and helium production at the LAMPF irradiation facility

International Nuclear Information System (INIS)

Wechsler, M.S.; Davidson, D.R.; Sommer, W.F.; Greenwood, L.R.

1985-01-01

Differential and total displacement and helium-production rates are calculated for copper irradiated by spallation neutrons and 760-MeV protons at LAMPF. The calculations are performed using the SPECTOR and VNMTC computer codes, the latter being specially designed for spallation radiation-damage calculations. For comparison, similar SPECTER calculations are also described for irradiation of copper in the experimental breeder reactor (EBR-II) at the Argonne National Laboratory-West in Idaho, and in the rotating target neutron source (RTNS-II) at Lawrence Livermore Laboratory. The neutron energy spectra for LAMPF, EBR-II, and RTNS-II and the displacement and helium-production cross sections are shown

Wideband quin-stable energy harvesting via combined nonlinearity

Directory of Open Access Journals (Sweden)

Chen Wang

2017-04-01

Full Text Available In this work, we propose a wideband quintuple-well potential piezoelectric-based vibration energy harvester using a combined nonlinearity: the magnetic nonlinearity induced by magnetic force and the piecewise-linearity produced by mechanical impact. With extra stable states compared to other multi-stable harvesters, the quin-stable harvester can distribute its potential energy more uniformly, which provides shallower potential wells and results in lower excitation threshold for interwell motion. The mathematical model of this quin-stable harvester is derived and its equivalent piecewise-nonlinear restoring force is measured in the experiment and identified as piecewise polynomials. Numerical simulations and experimental verifications are performed in different levels of sinusoid excitation ranging from 1 to 25 Hz. The results demonstrate that, with lower potential barriers compared with tri-stable counterpart, the quin-stable arrangement can escape potential wells more easily for doing high-energy interwell motion over a wider band of frequencies. Moreover, by utilizing the mechanical stoppers, this harvester can produce significant output voltage under small tip deflections, which results in a high power density and is especially suitable for a compact MEMS approach.

Impurities in semiconductors: total energy and infrared absorption calculations

International Nuclear Information System (INIS)

Yndurain, F.

1987-01-01

A new method to calculate the electronic structure of infinite nonperiodic system is discussed. The calculations are performed using atomic pseudopotentials and a basis of atomic Gaussiam wave functions. The Hartree-Fock self consistent equations are solved in the cluster-Bethe lattice system. Electron correlation is partially included in second order pertubation approximation. The formalism is applied to hydrogenated amorphous silicon. Total energy calculations of finite clusters of silicon atom in the presence of impurities, are also presented. The results show how atomic oxygen breaks the covalent silicon silicon bond forming a local configuration similar to that of SiO 2 . Calculations of the infrared absorption due to the presence of atomic oxygen in cristalline silicon are presented. The Born Hamiltonian to calculate the vibrational modes of the system and a simplied model to describe the infrared absorption mechanism are used. The interstitial and the the substitutional cases are considered and analysed. The position of the main infrared absorption peak, their intensities and their isotope shifts are calculated. The results are satisfactory agreement with the available data. (author) [pt

Sense of Humor, Stable Affect, and Psychological Well-Being

Directory of Open Access Journals (Sweden)

Arnie Cann

2014-08-01

Full Text Available A good sense of humor has been implicated as a quality that could contribute to psychological well-being. The mechanisms through which sense of humor might operate include helping to reappraise threats, serving as a character strength, or facilitating happiness. The current research attempts to integrate these possibilities by examining whether a good sense of humor might operate globally by helping to maintain a more stable positive affect. Stable positive affect has been shown to facilitate more effective problem solving and to build resilience. However, not all humor is adaptive humor, so we also examine the roles that different styles of humor use might play. Individual differences in humor styles were used to predict stable levels of affect. Then, in a longitudinal design, humor styles and stable affect were used to predict subsequent resilience and psychological health. The results indicated that stable affect was related to resilience and psychological well-being, and that a sense of humor that involves self-enhancing humor, humor based on maintaining a humorous perspective about one’s experiences, was positively related to stable positive affect, negatively related to stable negative affect, and was mediated through stable affect in influencing resilience, well-being and distress. Thus, while a good sense of humor can lead to greater resilience and better psychological health, the current results, focusing on stable affect, find only self-enhancing humor provides reliable benefits.

Mathematical evaluation of similarity factor using various weighing approaches on aceclofenac marketed formulations by model-independent method.

Science.gov (United States)

Soni, T G; Desai, J U; Nagda, C D; Gandhi, T R; Chotai, N P

2008-01-01

The US Food and Drug Administration's (FDA's) guidance for industry on dissolution testing of immediate-release solid oral dosage forms describes that drug dissolution may be the rate limiting step for drug absorption in the case of low solubility/high permeability drugs (BCS class II drugs). US FDA Guidance describes the model-independent mathematical approach proposed by Moore and Flanner for calculating a similarity factor (f2) of dissolution across a suitable time interval. In the present study, the similarity factor was calculated on dissolution data of two marketed aceclofenac tablets (a BCS class II drug) using various weighing approaches proposed by Gohel et al. The proposed approaches were compared with a conventional approach (W = 1). On the basis of consideration of variability, preference is given in the order of approach 3 > approach 2 > approach 1 as approach 3 considers batch-to-batch as well as within-samples variability and shows best similarity profile. Approach 2 considers batch-to batch variability with higher specificity than approach 1.

[Similarity system theory to evaluate similarity of chromatographic fingerprints of traditional Chinese medicine].

Science.gov (United States)

Liu, Yongsuo; Meng, Qinghua; Jiang, Shumin; Hu, Yuzhu

2005-03-01

The similarity evaluation of the fingerprints is one of the most important problems in the quality control of the traditional Chinese medicine (TCM). Similarity measures used to evaluate the similarity of the common peaks in the chromatogram of TCM have been discussed. Comparative studies were carried out among correlation coefficient, cosine of the angle and an improved extent similarity method using simulated data and experimental data. Correlation coefficient and cosine of the angle are not sensitive to the differences of the data set. They are still not sensitive to the differences of the data even after normalization. According to the similarity system theory, an improved extent similarity method was proposed. The improved extent similarity is more sensitive to the differences of the data sets than correlation coefficient and cosine of the angle. And the character of the data sets needs not to be changed compared with log-transformation. The improved extent similarity can be used to evaluate the similarity of the chromatographic fingerprints of TCM.

Applications of stable isotopes in clinical pharmacology

NARCIS (Netherlands)

Schellekens, Reinout C A; Stellaard, Frans; Woerdenbag, Herman J; Frijlink, Henderik W; Kosterink, Jos G W

2011-01-01

This review aims to present an overview of the application of stable isotope technology in clinical pharmacology. Three main categories of stable isotope technology can be distinguished in clinical pharmacology. Firstly, it is applied in the assessment of drug pharmacology to determine the

Calculation of coupling factor for double-period accelerating structure

International Nuclear Information System (INIS)

Bian Xiaohao; Chen Huaibi; Zheng Shuxin

2005-01-01

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

Perspective: Highly stable vapor-deposited glasses

Science.gov (United States)

Ediger, M. D.

2017-12-01

This article describes recent progress in understanding highly stable glasses prepared by physical vapor deposition and provides perspective on further research directions for the field. For a given molecule, vapor-deposited glasses can have higher density and lower enthalpy than any glass that can be prepared by the more traditional route of cooling a liquid, and such glasses also exhibit greatly enhanced kinetic stability. Because vapor-deposited glasses can approach the bottom of the amorphous part of the potential energy landscape, they provide insights into the properties expected for the "ideal glass." Connections between vapor-deposited glasses, liquid-cooled glasses, and deeply supercooled liquids are explored. The generality of stable glass formation for organic molecules is discussed along with the prospects for stable glasses of other types of materials.

Mechanical, electronic, and thermodynamic properties of zirconium carbide from first-principles calculations

Science.gov (United States)

Yang, Xiao-Yong; Lu, Yong; Zheng, Fa-Wei; Zhang, Ping

2015-11-01

Mechanical, electronic, and thermodynamic properties of zirconium carbide have been systematically studied using the ab initio calculations. The calculated equilibrium lattice parameter, bulk modulus, and elastic constants are all well consistent with the experimental data. The electronic band structure indicates that the mixture of C 2p and Zr 4d and 4p orbitals around the Fermi level makes a large covalent contribution to the chemical bonds between the C and Zr atoms. The Bader charge analysis suggests that there are about 1.71 electrons transferred from each Zr atom to its nearest C atom. Therefore, the Zr-C bond displays a mixed ionic/covalent character. The calculated phonon dispersions of ZrC are stable, coinciding with the experimental measurement. A drastic expansion in the volume of ZrC is seen with increasing temperature, while the bulk modulus decreases linearly. Based on the calculated phonon dispersion curves and within the quasi-harmonic approximation, the temperature dependence of the heat capacities is obtained, which gives a good description compared with the available experimental data. Project supported by the National Natural Science Foundation of China (Grant No. 51071032).

Calculation of displacement and helium production at the LAMPF irradiation facility

International Nuclear Information System (INIS)

Davidson, D.R.; Greenwood, L.R.; Sommer, W.F.; Wechsler, M.S.

1984-01-01

Differential and total displacement and helium production rates are calculated for copper irradiated by spallation neutrons and 760 MeV protons at LAMPF. The calculations are performed using the SPECTER and VNMTC computer codes, the latter being specially designed for spallation radiation damage calculations. For comparison, similar SPECTER calculations are also described for irradiation of copper in EBR-II and RTNS-II. The results indicate substantial contributions to the displacement and helium production rates due to neutrons in the high-energy tail (above 40 MeV) of the LAMPF spallation neutron spectrum. Still higher production rates are calculated for irradiations in the direct proton beam. These results will provide useful background information for research to be conducted at a new irradiation facility at LAMPF

Self-similar slip distributions on irregular shaped faults

Science.gov (United States)

Herrero, A.; Murphy, S.

2018-06-01

We propose a strategy to place a self-similar slip distribution on a complex fault surface that is represented by an unstructured mesh. This is possible by applying a strategy based on the composite source model where a hierarchical set of asperities, each with its own slip function which is dependent on the distance from the asperity centre. Central to this technique is the efficient, accurate computation of distance between two points on the fault surface. This is known as the geodetic distance problem. We propose a method to compute the distance across complex non-planar surfaces based on a corollary of the Huygens' principle. The difference between this method compared to others sample-based algorithms which precede it is the use of a curved front at a local level to calculate the distance. This technique produces a highly accurate computation of the distance as the curvature of the front is linked to the distance from the source. Our local scheme is based on a sequence of two trilaterations, producing a robust algorithm which is highly precise. We test the strategy on a planar surface in order to assess its ability to keep the self-similarity properties of a slip distribution. We also present a synthetic self-similar slip distribution on a real slab topography for a M8.5 event. This method for computing distance may be extended to the estimation of first arrival times in both complex 3D surfaces or 3D volumes.

Myocardial perfusion SPECT in stable angina;Place de la scintigraphie myocardique dans l'angor stable

Energy Technology Data Exchange (ETDEWEB)

Jau, P.; Jacob, T. [HP Clairval, Service de medecine nucleaire, 13 - Marseille (France); Lecorff, G.; Bouvier, J.L.; Novella, P.; Bechet, V.; Pelet, V. [HP Clairval, Service de cardiologie, 13 - Marseille (France)

2010-03-15

We study the precise contribution of myocardial scintigraphy in the therapeutic management of stable coronary artery disease. Until recently, treatment was focused on revascularization, often by coronary angioplasty.Recent studies have challenged this practice by showing the absence of superiority of angioplasty compared to optimal medical therapy.The problem now is to define for each stable coronary artery disease, and individually, the best of both treatment options. In this spirit, the functional approach to coronary artery disease by myocardial perfusion scintigraphy is most interesting.The diagnostic performance, including sensitivity and negative predictive value, and the prognostic value of the technique are clearly established. Recent studies show that a therapeutic decision based on a functional approach to the patient is valid.We need to know this development in cardiology for best position in the multidisciplinary discussions, myocardial scintigraphy as a functional approach to stable coronary artery disease. (N.C.)

Recent developments and future directions for stable isotope applications in nutrition research. Report of a consultants meeting

International Nuclear Information System (INIS)

2001-01-01

The International Atomic Energy Agency (IAEA) at its Headquarters in Vienna convened a consultants meeting to provide the Agency with an overview of the current status of isotopic techniques in nutritional science with respect to both methodology and applications. The main objectives were: To assess the practice of stable isotope methodologies in human nutrition research; To explore high quality stable isotope spikes for use in humans; To standardise the mathematical approaches to evaluate mass spectrometric data when using stable isotope labels within metabolic studies; To identify new strategies for improving sensitivity of nutrition monitoring techniques for use in projects in nutrition. This exercise was conducted to also identify strengths and weaknesses of methodologies currently used in IAEA funded research (CRPs and Technical Cooperation Projects) and to see how they can be improved for the general user, and to provide a basis for the assessment of outcomes delivered by collaborating laboratories in IAEA funded studies. The consultants reviewed the methods relating to the measurement of energy expenditure and noted that the analytical methodologies had changed substantially and that there was further refinement to data fitting and the calculation of uncertainties. They also felt that a repeat of a comparison of laboratory performances with a dilution series similar to the one carried out earlier should be performed for quality control. Other methods using labelled isotopes 13 C and 2 H were also discussed. The meeting noted that it was IAEA's intention to support the development of compound specific reference materials for 2 H, 13 C, 15 N and 18 O. Contrary to light isotope techniques where attempts have been made in the past towards standardization, in particular by IAEA and Stable Isotopes in Gastroenterology and Nutrition (SIGN) harmonization of techniques between laboratories is unsatisfactory for the minerals and trace elements. It was decided that

Recent developments and future directions for stable isotope applications in nutrition research. Report of a consultants meeting

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-07-01

The International Atomic Energy Agency (IAEA) at its Headquarters in Vienna convened a consultants meeting to provide the Agency with an overview of the current status of isotopic techniques in nutritional science with respect to both methodology and applications. The main objectives were: To assess the practice of stable isotope methodologies in human nutrition research; To explore high quality stable isotope spikes for use in humans; To standardise the mathematical approaches to evaluate mass spectrometric data when using stable isotope labels within metabolic studies; To identify new strategies for improving sensitivity of nutrition monitoring techniques for use in projects in nutrition. This exercise was conducted to also identify strengths and weaknesses of methodologies currently used in IAEA funded research (CRPs and Technical Cooperation Projects) and to see how they can be improved for the general user, and to provide a basis for the assessment of outcomes delivered by collaborating laboratories in IAEA funded studies. The consultants reviewed the methods relating to the measurement of energy expenditure and noted that the analytical methodologies had changed substantially and that there was further refinement to data fitting and the calculation of uncertainties. They also felt that a repeat of a comparison of laboratory performances with a dilution series similar to the one carried out earlier should be performed for quality control. Other methods using labelled isotopes {sup 13}C and {sup 2}H were also discussed. The meeting noted that it was IAEA's intention to support the development of compound specific reference materials for {sup 2}H, {sup 13}C, {sup 15}N and {sup 18}O. Contrary to light isotope techniques where attempts have been made in the past towards standardization, in particular by IAEA and Stable Isotopes in Gastroenterology and Nutrition (SIGN) harmonization of techniques between laboratories is unsatisfactory for the minerals and trace

Hydrothermally stable molecular separation membranes from organically linked silica

Energy Technology Data Exchange (ETDEWEB)

Castricum, H.L.; Sah, A; Blank, D.H.A.; Ten Elshof, J.E. [Inorganic Materials Science, MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Kreiter, R.; Vente, J.F. [ECN Energy Efficiency in the Industry, Petten (Netherlands)

2008-06-15

A highly hydrothermally stable microporous network material has been developed that can be applied in energy-efficient molecular sieving. The material was synthesized by employing organically bridged monomers in acid-catalysed sol-gel hydrolysis and condensation, and is composed of covalently bonded organic and inorganic moieties. Due to its hybrid nature, it withstands higher temperatures than organic polymers and exhibits high solvolytical and acid stability. A thin film membrane that was prepared with the hybrid material was found to be stable in the dehydration of n-butanol at 150C for almost two years. This membrane is the first that combines a high resistance against water at elevated temperatures with a high separation factor and permeance. It therefore has high potential for energy-efficient molecular separation under industrial conditions, including the dehydration of organic solvents. The organically bridged monomers induce increased toughness in the thin film layer. This suppresses hydrolysis of Si-O-Si network bonds and results in a high resistance towards stress-induced cracking. The large non-hydrolysable units thus remain well incorporated in the surrounding matrix such that the material combines high (pore) structural and mechanical stability. The sol mean particle size was found to be a viable parameter to tune the thickness of the membrane layer and thus optimize the separation performance. We anticipate that other hybrid organosilicas can be made in a similar fashion, to yield a whole new class of materials with superior molecular sieving properties and high hydrothermal stability.

Stable Tetraquarks

Energy Technology Data Exchange (ETDEWEB)

Quigg, Chris [Fermilab

2018-04-13

For very heavy quarks, relations derived from heavy-quark symmetry imply novel narrow doubly heavy tetraquark states containing two heavy quarks and two light antiquarks. We predict that double-beauty states will be stable against strong decays, whereas the double-charm states and mixed beauty+charm states will dissociate into pairs of heavy-light mesons. Observing a new double-beauty state through its weak decays would establish the existence of tetraquarks and illuminate the role of heavy color-antitriplet diquarks as hadron constituents.

Development of stable isotope manufacturing in Russia

International Nuclear Information System (INIS)

Pokidychev, A.; Pokidycheva, M.

1999-01-01

For the past 25 years, Russia has relied heavily on the electromagnetic separation process for the production of middle and heavy mass stable isotopes. The separation of most light isotopes had been centered in Georgia which, after the collapse of the USSR, left Russia without this capability. In the mid-1970s, development of centrifuge technology for the separation of stable isotopes was begun. Alternative techniques such as laser separation, physical-chemical methods, and ion cyclotron resonance have also been investigated. Economic considerations have played a major role in the development and current status of the stable isotope enrichment capabilities of Russia

Accelerating the discovery of hidden two-dimensional magnets using machine learning and first principle calculations

Science.gov (United States)

Miyazato, Itsuki; Tanaka, Yuzuru; Takahashi, Keisuke

2018-02-01

Two-dimensional (2D) magnets are explored in terms of data science and first principle calculations. Machine learning determines four descriptors for predicting the magnetic moments of 2D materials within reported 216 2D materials data. With the trained machine, 254 2D materials are predicted to have high magnetic moments. First principle calculations are performed to evaluate the predicted 254 2D materials where eight undiscovered stable 2D materials with high magnetic moments are revealed. The approach taken in this work indicates that undiscovered materials can be surfaced by utilizing data science and materials data, leading to an innovative way of discovering hidden materials.

Structural, elastic, electronic and dynamical properties of OsB and ReB: Density functional calculations

Science.gov (United States)

Li, Yanling; Zeng, Zhi; Lin, Haiqing

2010-06-01

The structural, elastic, electronic and dynamical properties of ReB and OsB are investigated by first-principles calculations based on density functional theory. It turns out that ReB and OsB are metallic ultra-incompressible solids with small elastic anisotropy and high hardness. The change of c/ a ratio in OsB indicates that there is a structural phase transition at about 31 GPa. Phonon spectra calculations show that both OsB and ReB are stable dynamically and there are abnormal phonon dispersions along special directions in Brillouin zone. OsB and ReB do not show superconductivity due to very weak electron-phonon interactions in them.

Self-similar regimes of fast ionization waves in shielded discharge tubes

International Nuclear Information System (INIS)

Gerasimov, D.N.; Sinkevich, O.A.

1999-01-01

An analytical self-similar solution to the problem of the propagation of a fast ionization wave (FIW) in a long shielded tube is constructed. An expression determining the influence of the device parameters on the FIW velocity is obtained; the velocity is found to be the nonmonotonic function of the working-gas pressure. The theoretical predictions are compared with the results of experiments carried out with helium and nitrogen. The calculation and experimental results agree within experimental errors

Methylammonium Bismuth Iodide as a Lead-Free, Stable Hybrid Organic-Inorganic Solar Absorber.

Science.gov (United States)

Hoye, Robert L Z; Brandt, Riley E; Osherov, Anna; Stevanović, Vladan; Stranks, Samuel D; Wilson, Mark W B; Kim, Hyunho; Akey, Austin J; Perkins, John D; Kurchin, Rachel C; Poindexter, Jeremy R; Wang, Evelyn N; Bawendi, Moungi G; Bulović, Vladimir; Buonassisi, Tonio

2016-02-18

Methylammonium lead halide (MAPbX3 ) perovskites exhibit exceptional carrier transport properties. But their commercial deployment as solar absorbers is currently limited by their intrinsic instability in the presence of humidity and their lead content. Guided by our theoretical predictions, we explored the potential of methylammonium bismuth iodide (MBI) as a solar absorber through detailed materials characterization. We synthesized phase-pure MBI by solution and vapor processing. In contrast to MAPbX3, MBI is air stable, forming a surface layer that does not increase the recombination rate. We found that MBI luminesces at room temperature, with the vapor-processed films exhibiting superior photoluminescence (PL) decay times that are promising for photovoltaic applications. The thermodynamic, electronic, and structural features of MBI that are amenable to these properties are also present in other hybrid ternary bismuth halide compounds. Through MBI, we demonstrate a lead-free and stable alternative to MAPbX3 that has a similar electronic structure and nanosecond lifetimes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Current Treatment of Stable Angina].

Science.gov (United States)

Toggweiler, Stefan; Jamshidi, Peiman; Cuculi, Florim

2015-06-17

Current therapy for stable angina includes surgical and percutaneous revascularization, which has been improved tremendously over the last decades. Smoking cessation and regular exercise are the cornerstone for prevention of further cerebrovascular events. Medical treatment includes treatment of cardiovascular risk factors and antithrombotic management, which can be a challenge in some patients. Owing to the fact the coronary revascularization is readily accessible these days in many industrialized countries, the importance of antianginal therapy has decreased over the past years. This article presents a contemporary overview of the management of patients with stable angina in the year 2015.

Stable SU(5) monopoles with higher magnetic charge

International Nuclear Information System (INIS)

Miyamoto, S.; Sato, H.; Tomohiro, S.

1985-01-01

Taking into account the electroweak breaking effects, some multiply charged monopoles were shown to be stable by Gardner and Harvey. We give the explicit Ansa$uml: tze for finite-energy, nonsingular solutions of these stable higher-strength monopoles with eg = 1,(3/2),3. We also give the general stability conditions and the detailed behavior of the interaction potentials between two monopoles which produce the stable higher-strength monopoles

Fractional flow reserve is not associated with inflammatory markers in patients with stable coronary artery disease.

Directory of Open Access Journals (Sweden)

Jan-Willem E M Sels

Full Text Available BACKGROUND: Atherosclerosis is an inflammatory condition and increased blood levels of inflammatory biomarkers have been observed in acute coronary syndromes. In addition, high expression of inflammatory markers is associated with worse prognosis of coronary artery disease. The presence and extent of inducible ischemia in patients with stable angina has previously been shown to have strong prognostic value. We hypothesized that evidence of inducible myocardial ischemia by local lesions, as measured by fractional flow reserve (FFR, is associated with increased levels of blood based inflammatory biomarkers. METHODS: Whole blood samples of 89 patients with stable angina pectoris and 16 healthy controls were analyzed. The patients with stable angina pectoris underwent coronary angiography and FFR of all coronary lesions. We analyzed plasma levels of cytokines IL-6, IL-8 and TNF-α and membrane expression of Toll-like receptor 2 and 4, CD11b, CD62L and CD14 on monocytes and granulocytes as markers of inflammation. Furthermore, we quantified the severity of hemodynamically significant coronary artery disease by calculating Functional Syntax Score (FSS, an extension of the Syntax Score. RESULTS: For the majority of biomarkers, we observed lower levels in the healthy control group compared with patients with stable angina who underwent coronary catheterization. We found no difference for any of the selected biomarkers between patients with a positive FFR (≤ 0.75 and negative FFR (>0.80. We observed no relationship between the investigated biomarkers and FSS. CONCLUSION: The presence of local atherosclerotic lesions that result in inducible myocardial ischemia as measured by FFR in patients with stable coronary artery disease is not associated with increased plasma levels of IL-6, IL-8 and TNF-α or increased expression of TLR2 and TLR4, CD11b, CD62L and CD14 on circulating leukocytes.

Calculation of the magnetic susceptibilities of transition metal monocarbides, mononitrides and monoxides

International Nuclear Information System (INIS)

Eibler, R.; Neckel, A.

1975-01-01

Results of Augmented Plane Wave (APW) band structure calculations are used to determine the magnetic susceptibilities of some transition metal monocarbides, mononitrides and monoxides (TiC, TiN, TiO, VC, VN, VO, NbC, NbN) assuming stoichiometric composition. Contributions to the susceptibility arising from the orbital para- and diamagnetism and the spin paramagnetism are determined separately. The orbital susceptibility terms are calculated by means of the model of Kubo and Obata. The calculated susceptibilities are compared with measured values. The approximations in the calculation of the orbital susceptibility terms are discussed especially with regard to the agreement between calculated and measured susceptibilities for the individual compounds. Similar calculations are performed for the susceptibilities of non-stoichiometric VCsub(x)-phase, for which APR-Virtual Crystal Approximation (VCA) band structure calculations are available. (author)

Stable isotopes and biomarkers in microbial ecology

NARCIS (Netherlands)

Boschker, H.T.S.; Middelburg, J.J.

2002-01-01

The use of biomarkers in combination with stable isotope analysis is a new approach in microbial ecology and a number of papers on a variety of subjects have appeared. We will first discuss the techniques for analysing stable isotopes in biomarkers, primarily gas chromatography-combustion-isotope

Long-term stable transmission of 3-keV Ne7+ ions guided through nanocapillaries in polymers

International Nuclear Information System (INIS)

Stolterfoht, N.; Herczku, P.; Juhász, Z.; Kovács, S.T.S.; Rácz, R.; Biri, S.; Sulik, B.

2016-01-01

We studied blocking effects on 3-keV Ne 7+ ion guiding through nanocapillaries in highly insulating polyethylene terephthalate (PET) manufactured at different laboratories. The experiments were motivated in view of previous measurement with PET capillaries prepared at the GSI Helmholtz-Zentrum for which significant blocking effects were observed, whereas in various previous studies with PET capillaries these effects could not be detected. As the blocking effect on the GSI capillaries strongly depends on their areal density, similar dependencies were studied with the FLNR capillaries. Long-term stable transmission was observed for all densities of the FLNR capillaries in contrast to the previous results. These observations are interpreted by differences in the capillary surface conductivities in accordance with charge patch formations within the capillaries. It is pointed out that the observed stable transmission is favorable for applications of ion guiding in capillaries.

Shoulder muscle activation during stable and suspended push-ups at different heights in healthy subjects.

Science.gov (United States)

Borreani, Sebastien; Calatayud, Joaquin; Colado, Juan C; Tella, Victor; Moya-Nájera, Diego; Martin, Fernando; Rogers, Michael E

2015-08-01

To analyze shoulder muscle activation when performing push-ups under different stability conditions and heights. Comparative study by repeated measures. Valencia University laboratory. 29 healthy males participated. Subjects performed 3 push-ups each with their hands at 2 different heights (10 vs. 65 cm) under stable conditions and using a suspension device. Push-up speed was controlled and the testing order was randomized. The average amplitudes of the electromyographic root mean square of the long head of the triceps brachii (TRICEP), upper trapezius (TRAPS), anterior deltoid (DELT) and clavicular pectoralis (PEC) were recorded. The electromyographic signals were normalized to the maximum voluntary isometric contraction (MVIC). Suspended push-ups at 10 cm resulted in greater activation in the TRICEP (17.14 ± 1.31 %MVIC vs. 37.03 ± 1.80 %MVIC) and TRAPS (5.83 ± 0.58 %MVIC vs. 14.69 ± 1.91 %MVIC) than those performed on the floor. For DELT and PEC similar or higher activation was found performing the push-ups on the floor, respectively. Height determines different muscle activation patterns. Stable push-ups elicit similar PEC and higher DELT muscle activation, being greater at 10 cm; whereas suspended push-ups elicit greater TRAPS and TRICEP muscle activation, being greater at 65 cm. Copyright © 2014 Elsevier Ltd. All rights reserved.

Application of CFD based wave loads in aeroelastic calculations

DEFF Research Database (Denmark)

Schløer, Signe; Paulsen, Bo Terp; Bredmose, Henrik

2014-01-01

Two fully nonlinear irregular wave realizations with different significant wave heights are considered. The wave realizations are both calculated in the potential flow solver Ocean-Wave3D and in a coupled domain decomposed potential-flow CFD solver. The surface elevations of the calculated wave...... domain decomposed potentialflow CFD solver result in different dynamic forces in the tower and monopile, despite that the static forces on a fixed monopile are similar. The changes are due to differences in the force profiles and wave steepness in the two solvers. The results indicate that an accurate...

Malaria infection during pregnancy in area of stable transmission ...

African Journals Online (AJOL)

Malaria infection during pregnancy in area of stable transmission. ... (LBW), a leading cause of neonatal death in areas of stable malaria transmission. ... areas of stable malaria transmission and the effective strategies for prevention and control. Keywords: malaria, pregnancy, semi-immune women, anaemia, low birthweight

Deformation Modes and Anisotropy of Anti-Perovskite Ti3AN (A = Al, In and Tl from First-Principle Calculations

Directory of Open Access Journals (Sweden)

Kuankuan Chen

2017-03-01

Full Text Available Deformation modes were studied for Ti3AN (A = Al, In and Tl by applying strain to the materials using first-principle calculations. The states of the bonds changed during the deformation process, and the Ti-N bonds remained structurally stable under deformation. The elastic anisotropy, electronic structures, hardness, and minimum thermal conductivity of anti-perovskite Ti3AN were investigated using the pseudo potential plane-wave method based on density functional theory. We found that the anisotropy of Ti3InN was significantly larger than that of Ti3AlN and Ti3TlN. All three compounds were mechanically stable. The band structures of the three compounds revealed that they were conductors. The minimum thermal conductivities at high temperature in the propagation directions of [100], [110], and [111] were calculated by the acoustic wave velocity, which indicated that the thermal conductivity was also anisotropic. It is indicated that Ti3InN is a good thermal barrier material.

Multitudes of Stable States in a Periodically Driven Electron-Nuclear Spin System in a Quantum Dot

OpenAIRE

Korenev, V. L.

2010-01-01

The periodical modulation of circularly polarized light with a frequency close to the electron spin resonance frequency induces a sharp change of the single electron spin orientation. Hyperfine interaction provides a feedback, thus fixing the precession frequency of the electron spin in the external and the Overhauser field near the modulation frequency. The nuclear polarization is bidirectional and the electron-nuclear spin system (ENSS) possesses a few stable states. A similar frequency-loc...

mPW1PW91 Calculated Conformational Study of Calix[n]arene (n = 4,5,6): Hydrogen Bond

International Nuclear Information System (INIS)

Kim, Kwang Ho; Choe, Jong In

2009-01-01

We have performed mPW1PW91 calculations to investigate the conformational characteristics and hydrogen bonds of p-tert-butylcalix[4]arene, p-tert-butylcalix[5]arene, calix[6]arene and p-tertbutylcalix[ 6]arene. The structures of the different conformers of 1-3 were optimized by using mPW1PW91/ 6-31+G(d,p) method. The relative stability of the four conformers of 1 is in the following order: cone (most stable) > partial-cone > 1,2-alternate > 1,3-alternate. The relative stability of the conformers of 2 is in the following order: cone (most stable) > 1,2-alternate > partial-cone > 1,3-alternate. The relative stability of the various conformers of 3 is in the following order: cone (pinched: most stable) > partial-cone > cone (winged) ∼ 1,2-alternate ∼ 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. The structures of the various conformers of 4 were optimized by using the mPW1PW91/6-31G(d,p) method followed by single point calculation of mPW1PW91/6-31+G(d,p). The relative stability of the conformers of 4 is in the following order: cone (pinched) > 1,2-alternate > cone (winged) > 1,4-alternate ∼ partial-cone > 1,2,3-alternate > 1,3,5-alternate > 1,3-alternate

Investigating the Relationship between Stable Personality Characteristics and Automatic Imitation.

Science.gov (United States)

Butler, Emily E; Ward, Robert; Ramsey, Richard

2015-01-01

Automatic imitation is a cornerstone of nonverbal communication that fosters rapport between interaction partners. Recent research has suggested that stable dimensions of personality are antecedents to automatic imitation, but the empirical evidence linking imitation with personality traits is restricted to a few studies with modest sample sizes. Additionally, atypical imitation has been documented in autism spectrum disorders and schizophrenia, but the mechanisms underpinning these behavioural profiles remain unclear. Using a larger sample than prior studies (N=243), the current study tested whether performance on a computer-based automatic imitation task could be predicted by personality traits associated with social behaviour (extraversion and agreeableness) and with disorders of social cognition (autistic-like and schizotypal traits). Further personality traits (narcissism and empathy) were assessed in a subsample of participants (N=57). Multiple regression analyses showed that personality measures did not predict automatic imitation. In addition, using a similar analytical approach to prior studies, no differences in imitation performance emerged when only the highest and lowest 20 participants on each trait variable were compared. These data weaken support for the view that stable personality traits are antecedents to automatic imitation and that neural mechanisms thought to support automatic imitation, such as the mirror neuron system, are dysfunctional in autism spectrum disorders or schizophrenia. In sum, the impact that personality variables have on automatic imitation is less universal than initial reports suggest.

Investigating the Relationship between Stable Personality Characteristics and Automatic Imitation.

Directory of Open Access Journals (Sweden)

Emily E Butler

Full Text Available Automatic imitation is a cornerstone of nonverbal communication that fosters rapport between interaction partners. Recent research has suggested that stable dimensions of personality are antecedents to automatic imitation, but the empirical evidence linking imitation with personality traits is restricted to a few studies with modest sample sizes. Additionally, atypical imitation has been documented in autism spectrum disorders and schizophrenia, but the mechanisms underpinning these behavioural profiles remain unclear. Using a larger sample than prior studies (N=243, the current study tested whether performance on a computer-based automatic imitation task could be predicted by personality traits associated with social behaviour (extraversion and agreeableness and with disorders of social cognition (autistic-like and schizotypal traits. Further personality traits (narcissism and empathy were assessed in a subsample of participants (N=57. Multiple regression analyses showed that personality measures did not predict automatic imitation. In addition, using a similar analytical approach to prior studies, no differences in imitation performance emerged when only the highest and lowest 20 participants on each trait variable were compared. These data weaken support for the view that stable personality traits are antecedents to automatic imitation and that neural mechanisms thought to support automatic imitation, such as the mirror neuron system, are dysfunctional in autism spectrum disorders or schizophrenia. In sum, the impact that personality variables have on automatic imitation is less universal than initial reports suggest.

Source tracing of natural organic matter bound mercury in boreal forest runoff with mercury stable isotopes.

Science.gov (United States)

Jiskra, Martin; Wiederhold, Jan G; Skyllberg, Ulf; Kronberg, Rose-Marie; Kretzschmar, Ruben

2017-10-18

Terrestrial runoff represents a major source of mercury (Hg) to aquatic ecosystems. In boreal forest catchments, such as the one in northern Sweden studied here, mercury bound to natural organic matter (NOM) represents a large fraction of mercury in the runoff. We present a method to measure Hg stable isotope signatures of colloidal Hg, mainly complexed by high molecular weight or colloidal natural organic matter (NOM) in natural waters based on pre-enrichment by ultrafiltration, followed by freeze-drying and combustion. We report that Hg associated with high molecular weight NOM in the boreal forest runoff has very similar Hg isotope signatures as compared to the organic soil horizons of the catchment area. The mass-independent fractionation (MIF) signatures (Δ 199 Hg and Δ 200 Hg) measured in soils and runoff were in agreement with typical values reported for atmospheric gaseous elemental mercury (Hg 0 ) and distinctly different from reported Hg isotope signatures in precipitation. We therefore suggest that most Hg in the boreal terrestrial ecosystem originated from the deposition of Hg 0 through foliar uptake rather than precipitation. Using a mixing model we calculated the contribution of soil horizons to the Hg in the runoff. At moderate to high flow runoff conditions, that prevailed during sampling, the uppermost part of the organic horizon (Oe/He) contributed 50-70% of the Hg in the runoff, while the underlying more humified organic Oa/Ha and the mineral soil horizons displayed a lower mobility of Hg. The good agreement of the Hg isotope results with other source tracing approaches using radiocarbon signatures and Hg : C ratios provides additional support for the strong coupling between Hg and NOM. The exploratory results from this study illustrate the potential of Hg stable isotopes to trace the source of Hg from atmospheric deposition through the terrestrial ecosystem to soil runoff, and provide a basis for more in-depth studies investigating the

Force Outputs during Squats Performed Using a Rotational Inertia Device under Stable versus Unstable Conditions with Different Loads.

Science.gov (United States)

Vázquez-Guerrero, Jairo; Moras, Gerard; Baeza, Jennifer; Rodríguez-Jiménez, Sergio

2016-01-01

The purpose of the study was to compare the force outputs achieved during a squat exercise using a rotational inertia device in stable versus unstable conditions with different loads and in concentric and eccentric phases. Thirteen male athletes (mean ± SD: age 23.7 ± 3.0 years, height 1.80 ± 0.08 m, body mass 77.4 ± 7.9 kg) were assessed while squatting, performing one set of three repetitions with four different loads under stable and unstable conditions at maximum concentric effort. Overall, there were no significant differences between the stable and unstable conditions at each of the loads for any of the dependent variables. Mean force showed significant differences between some of the loads in stable and unstable conditions (P inertia device allowed the generation of similar force outputs under stable and unstable conditions at each of the four loads. The study also provides empirical evidence of the different force outputs achieved by adjusting load conditions on the rotational inertia device when performing squats, especially in the case of peak force. Concentric force outputs were significantly higher than eccentric outputs, except for peak force under both conditions. These findings support the use of the rotational inertia device to train the squatting exercise under unstable conditions for strength and conditioning trainers. The device could also be included in injury prevention programs for muscle lesions and ankle and knee joint injuries.

Applicability of the theory of thermodynamic similarity to predict the enthalpies of vaporization of aliphatic aldehydes

Science.gov (United States)

Esina, Z. N.; Korchuganova, M. R.

2015-06-01

The theory of thermodynamic similarity is used to predict the enthalpies of vaporization of aliphatic aldehydes. The predicted data allow us to calculate the phase diagrams of liquid-vapor equilibrium in a binary water-aliphatic aldehyde system.

Stable carbon isotope fractionation during the biodegradation of lambda-cyhalothrin

Energy Technology Data Exchange (ETDEWEB)

Shen, Xiaoli [MOE Key Laboratory of Environmental Remediation and Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Department of Environmental Engineering, Quzhou University, Quzhou 324000 (China); Xu, Zemin [MOE Key Laboratory of Environmental Remediation and Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Zhang, Xichang [Laboratory for Teaching in Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Yang, Fangxing, E-mail: fxyang@zju.edu.cn [MOE Key Laboratory of Environmental Remediation and Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research — UFZ, Leipzig 04318 (Germany)

2015-11-01

In this study, the microbial degradation of lambda-cyhalothrin in soil was investigated using compound-specific stable isotope analysis. The results revealed that lambda-cyhalothrin was biodegraded in soil under laboratory conditions. The half-lives of lambda-cyhalothrin were determined to be 49 and 161 days in non-sterile and sterile soils spiked with 2 mg/kg lambda-cyhalothrin and 84 and 154 days in non-sterile and sterile soils spiked with 10 mg/kg lambda-cyhalothrin, respectively. The biodegradation of lambda-cyhalothrin resulted in carbon isotope fractionation, which shifted from − 29.0‰ to − 26.5‰ in soil spiked with 2 mg/kg lambda-cyhalothrin, and to − 27.5‰ with 10 mg/kg lambda-cyhalothrin. A relationship was established between the stable carbon isotope fraction and the residual concentrations of lambda-cyhalothrin by the Rayleigh equation in which the carbon isotope enrichment factor ε of the microbial degradation of lambda-cyhalothrin in the soil was calculated as − 2.53‰. This study provides an approach to quantitatively evaluate the biodegradation of lambda-cyhalothrin in soil in field studies. - Highlights: • Abiotic and biotic degradation of lambda-cyhalothrin were observed in soil. • Biodegradation of lambda-cyhalothrin was evaluated by CSIA. • Biodegradation of lambda-cyhalothrin leads to carbon isotope fractionation. • An enrichment factor ε of lambda-cyhalothrin was determined as − 2.53‰.

Stable carbon isotope fractionation during the biodegradation of lambda-cyhalothrin

International Nuclear Information System (INIS)

Shen, Xiaoli; Xu, Zemin; Zhang, Xichang; Yang, Fangxing

2015-01-01

In this study, the microbial degradation of lambda-cyhalothrin in soil was investigated using compound-specific stable isotope analysis. The results revealed that lambda-cyhalothrin was biodegraded in soil under laboratory conditions. The half-lives of lambda-cyhalothrin were determined to be 49 and 161 days in non-sterile and sterile soils spiked with 2 mg/kg lambda-cyhalothrin and 84 and 154 days in non-sterile and sterile soils spiked with 10 mg/kg lambda-cyhalothrin, respectively. The biodegradation of lambda-cyhalothrin resulted in carbon isotope fractionation, which shifted from − 29.0‰ to − 26.5‰ in soil spiked with 2 mg/kg lambda-cyhalothrin, and to − 27.5‰ with 10 mg/kg lambda-cyhalothrin. A relationship was established between the stable carbon isotope fraction and the residual concentrations of lambda-cyhalothrin by the Rayleigh equation in which the carbon isotope enrichment factor ε of the microbial degradation of lambda-cyhalothrin in the soil was calculated as − 2.53‰. This study provides an approach to quantitatively evaluate the biodegradation of lambda-cyhalothrin in soil in field studies. - Highlights: • Abiotic and biotic degradation of lambda-cyhalothrin were observed in soil. • Biodegradation of lambda-cyhalothrin was evaluated by CSIA. • Biodegradation of lambda-cyhalothrin leads to carbon isotope fractionation. • An enrichment factor ε of lambda-cyhalothrin was determined as − 2.53‰

Electronic structure of SnS deduced from photoelectron spectra and band-structure calculations

NARCIS (Netherlands)

Ettema, A.R.H.F.; Groot, R.A. de; Haas, C.; Turner, T.S.

1992-01-01

SnS is a layer compound with a phase transition from a high-temperature β phase to a low-temperature α phase with a lower symmetry. Ab initio band-structure calculations are presented for both phases. The calculations show that the charge distributions in the two phases are very similar. However,

Selecting the best stable isotope mixing model to estimate grizzly bear diets in the Greater Yellowstone Ecosystem.

Science.gov (United States)

Hopkins, John B; Ferguson, Jake M; Tyers, Daniel B; Kurle, Carolyn M

2017-01-01

Past research indicates that whitebark pine seeds are a critical food source for Threatened grizzly bears (Ursus arctos) in the Greater Yellowstone Ecosystem (GYE). In recent decades, whitebark pine forests have declined markedly due to pine beetle infestation, invasive blister rust, and landscape-level fires. To date, no study has reliably estimated the contribution of whitebark pine seeds to the diets of grizzlies through time. We used stable isotope ratios (expressed as δ13C, δ15N, and δ34S values) measured in grizzly bear hair and their major food sources to estimate the diets of grizzlies sampled in Cooke City Basin, Montana. We found that stable isotope mixing models that included different combinations of stable isotope values for bears and their foods generated similar proportional dietary contributions. Estimates generated by our top model suggest that whitebark pine seeds (35±10%) and other plant foods (56±10%) were more important than meat (9±8%) to grizzly bears sampled in the study area. Stable isotope values measured in bear hair collected elsewhere in the GYE and North America support our conclusions about plant-based foraging. We recommend that researchers consider model selection when estimating the diets of animals using stable isotope mixing models. We also urge researchers to use the new statistical framework described here to estimate the dietary responses of grizzlies to declines in whitebark pine seeds and other important food sources through time in the GYE (e.g., cutthroat trout), as such information could be useful in predicting how the population will adapt to future environmental change.

Lead-210, polonium-210, and stable lead in the food-chain lichen, reindeer and man

International Nuclear Information System (INIS)

Persson, B.R.

1972-01-01

The measurements of stable lead and the natural fallout radionuclides lead-210 and polonium-210 in communities of lichen (Cladonia alpestris) in central Sweden from 1961 to 1970 indicate a quite constant level. The average lead-210 content per unit area in lichen carpets was found to be 15 +- 2 nCi m -2 , the average lead-210 activity concentration 6.7 +- 0.9 nCi per kg dry weight and the lead-210 specific activity 630 +- 60 nCi per g of stable lead. The polonium-210/lead-210 activity ratio was about 0.9 +- 0.1. The vertical distribution of lead-210 in the lichen carpet showed a maximum concentration in the top layer. The distribution was similar during 1967 and 1968 but the low amount of precipitation during 1968 and 1969 disturbed the distribution pattern in 1969 and 1970. The transfer of lead-210, polonium-210 and stable lead through the food chain: lichen, reindeer, and man was characterized. The absorbed dose rate in Lapps due to polonium-210 was estimated to be about 6 to 8 mrad per year in gonads and 8 to 20 mrad per year in bone tissues. This is about ten percent of their entire absorbed dose contribution from all natural radiation sources. (U.S.)