STABILITY OF BINARY COMPLEXES OF L-ASPARTIC ACID IN ...

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KEY WORDS: Binary complexes, Stability constants, Aspartic acid, Speciation, Dioxan. INTRODUCTION. 1,4-Dioxan (Dox) is ... It is miscible with water, oils, and most organic solvents, including aromatic .... of mineral acid in metal ion and ligand solutions was determined using the Gran plot method. [28, 29]. To assess the ...

Synthesis, structure and luminescence properties of binary and ternary complexes of lanthanide (Eu{sup 3+}, Sm{sup 3+} and Tb{sup 3+}) with salicylic acid and 1,10-phenanthroline

Energy Technology Data Exchange (ETDEWEB)

Shen, Chen-Qi; Yan, Tian-Lu; Wang, Yi-Ting; Ye, Zi-Jun; Xu, Cun-Jin, E-mail: cjxu@hznu.edu.cn; Zhou, Wen-Jun

2017-04-15

A series of binary and ternary complexes of lanthanide (Eu{sup 3+}, Sm{sup 3+} and Tb{sup 3+}) with salicylic acid (Hsal) and 1,10-phenanthroline (phen) were synthesized, and characterized by element analysis, coordination titration analysis, IR, UV and TG-DTA. Their compositions were (NH{sub 4})[Ln(sal){sub 4}(H{sub 2}O){sub 2}] (Ln=Eu (1), Sm (2), Tb (3)) and (NH{sub 4})[Ln(sal){sub 4}(phen){sub 2}] (Ln=Eu (4), Sm (5), Tb (6)), respectively. In particular, the ternary complex of Eu{sup 3+}, 4, was characterized by X-ray diffraction, and luminescence intensities of binary and ternary complexes were compared. In case of Eu{sup 3+} and Sm{sup 3+} complexes, ternary complexes emitted stronger luminescence than corresponding binary complexes of salicylic acid and Ln{sup 3+}. On the other hand, the ternary Tb{sup 3+} complex had weaker luminescence than the binary complex because of back energy transfer from Tb{sup 3+} to phen. The CIE coordinates of 1–6 were calculated as (0.65, 0.35), (0.52, 0.48), (0.33, 0.59), (0.67, 0.33), (0.62, 0.38) and (0.36, 0.58), respectively, which enable these complexes to be promising candidates for red, green, or yellow component in OLEDs.

Enriching gender in physics education research: A binary past and a complex future

Science.gov (United States)

Traxler, Adrienne

2017-01-01

This talk draws on research in physics, science education, and women's studies to propose a more nuanced treatment of gender in physics education research (PER). A growing body of PER has examined gender differences in students' participation, performance, and attitudes toward physics. Though valuable, this body of work often follows a ``binary deficit'' model of gender, where the achievements of men are implicitly taken as the most appropriate standard and where individual experiences and student identities are undervalued. I will discuss more up-to-date viewpoints on gender from other fields, as well as work on the intersection of identities [e.g., gender with race and ethnicity, or with lesbian, gay, bisexual, and transgender (LGBT) status]. A few PER studies examine the intersection of gender and race, and identify the lack of a unitary identity as a key challenge of ``belonging'' in physics. Acknowledging this complexity of identity allows further critique of the binary deficit model, which casts gender as a fixed binary trait and frames research questions around investigating deficiencies in women rather than issues of systemic bias. More nuanced models of gender allow a greater range and fluidity of gender identities, and highlight deficiencies in data that exclude women's experiences. I will conclude by suggesting new investigations that might build on an expanded gender framework in PER.

The Gd14Ag51 structure type and its relation to some complex amalgam structures

International Nuclear Information System (INIS)

Tambornino, Frank; Sappl, Jonathan; Hoch, Constantin

2015-01-01

Highlights: • The Gd 14 Ag 51 structure type has been revisited on the basis of single crystal diffraction data. • Symmetry analysis from electron density and TEM shows the space group P6/m to be true. • Gd 14 Ag 51 shows good metallic behaviour. • Structure relations to alkali, alkaline-earth and rare-earth metal amalgams can be established. • Complexity values for the RE 14 Ag 51 structure family were calculated. - Abstract: A plethora of binary and ternary intermetallic compounds has been assigned to the Gd 14 Ag 51 structure type, crystallising in the hexagonal system (space group P6/m, a = 1264.30(18) pm, c = 933.58(11) pm for Gd 14 Ag 51 ). Starting in the late 1960s, much work has been invested in the structural elucidation of these crystal structures. However, reliable single crystal data are scarce, and most structure type assignments have been performed merely on the basis of powder data. We have redetermined four representatives of the binary RE 14 Ag 51 structure type (RE = Y, Ce, Gd, Tb) with modern high-precision single crystal X-ray methods. The assignment of the Gd 14 Ag 51 structure type to space group P6/m was additionally verified by careful analysis of high resolution transmission electron micrographs. We emphasise the close relation of the Gd 14 Ag 51 structure type to the structures of some recently described amalgams of similar composition focussing on disorder phenomena and structural complexity. Furthermore, we provide detailed information on synthesis as well as electrical and magnetic properties for Gd 14 Ag 51 , the parent compound of this structure family

On the Complexity of Duplication-Transfer-Loss Reconciliation with Non-Binary Gene Trees.

Science.gov (United States)

Kordi, Misagh; Bansal, Mukul S

2017-01-01

Duplication-Transfer-Loss (DTL) reconciliation has emerged as a powerful technique for studying gene family evolution in the presence of horizontal gene transfer. DTL reconciliation takes as input a gene family phylogeny and the corresponding species phylogeny, and reconciles the two by postulating speciation, gene duplication, horizontal gene transfer, and gene loss events. Efficient algorithms exist for finding optimal DTL reconciliations when the gene tree is binary. However, gene trees are frequently non-binary. With such non-binary gene trees, the reconciliation problem seeks to find a binary resolution of the gene tree that minimizes the reconciliation cost. Given the prevalence of non-binary gene trees, many efficient algorithms have been developed for this problem in the context of the simpler Duplication-Loss (DL) reconciliation model. Yet, no efficient algorithms exist for DTL reconciliation with non-binary gene trees and the complexity of the problem remains unknown. In this work, we resolve this open question by showing that the problem is, in fact, NP-hard. Our reduction applies to both the dated and undated formulations of DTL reconciliation. By resolving this long-standing open problem, this work will spur the development of both exact and heuristic algorithms for this important problem.

Structure and photoluminescence property of complexes of aromatic carboxylic acid-functionalized polysulfone with Eu(Ⅲ) and Tb(Ⅲ)

International Nuclear Information System (INIS)

Gao, Baojiao; Qiao, Zongwen; Chen, Tao

2014-01-01

With chloromethylated polysulfone as starting substance, naphthoic acid (NA) and benzoic acid (BA) were bonded onto the side chains of polysulfone (PSF) via polymer reactions, obtaining two kinds of aromatic carboxyl acid-functionalized polysulfone, PSFNA and PSFBA. Subsequently, the luminescent binary and ternary polymer-rare earth complexes of Eu(Ⅲ) and Tb(Ⅲ) were prepared through coordination reactions, respectively, with PSFNA and PSFBA as macromolecule ligands and with 1,10-phenanthroline (Phen) and 4,4′-bipyridine (Bipy) as small-molecule co-ligands. This work focuses on investigating the relationship between structure and photoluminescence property of these complexes. The experimental results indicate that the macromolecule ligands PSFNA and PSFBA can strongly sensitize the fluorescence emissions of Eu 3+ ion or Tb 3+ ion, and the sensitization effect is strongly dependent on the structure of the ligands and the property of the central ions. The fluorescence emission of the binary complex PSF–(NA) 3 –Eu(Ⅲ) is stronger than that PSF–(BA) 3 –Eu(Ⅲ), suggesting the bonded ligand NA has stronger sensitization action for Eu 3+ ion than ligand BA; The binary complex PSF–(BA) 3 –Tb(Ⅲ) emit very strong characteristic fluorescence of Tb 3+ ion, displaying that ligand BA can strongly sensitize Tb 3+ ion, whereas PSF–(NA) 3 –Tb(Ⅲ) does not emit the characteristic fluorescence of Tb 3+ ion, showing that the bonded ligand NA does not sensitize Tb 3+ ion. The fluorescence intensity of the ternary complexes is stronger than that of the binary complexes in the same series. The solid films of these complexes also emit the strong characteristic fluorescence of Eu 3+ ion or Tb 3+ ion. - Highlights: • We prepared two kinds of aromatic carboxyl acid-functionalized polysulfone, PSFNA and PSFBA via polymer reaction. • Various binary and ternary luminescent polymer-rare earth complexes of Eu(Ⅲ) and Tb (Ⅲ) were obtained. • The relationship

Enriching gender in physics education research: A binary past and a complex future

Directory of Open Access Journals (Sweden)

Adrienne L. Traxler

2016-08-01

Full Text Available [This paper is part of the Focused Collection on Gender in Physics.] In this article, we draw on previous reports from physics, science education, and women’s studies to propose a more nuanced treatment of gender in physics education research (PER. A growing body of PER examines gender differences in participation, performance, and attitudes toward physics. We have three critiques of this work: (i it does not question whether the achievements of men are the most appropriate standard, (ii individual experiences and student identities are undervalued, and (iii the binary model of gender is not questioned. Driven by these critiques, we propose a conception of gender that is more up to date with other fields and discuss gender as performance as an extended example. We also discuss work on the intersection of identities [e.g., gender with race and ethnicity, socioeconomic status, lesbian, gay, bisexual, and transgender (LGBT status], much of which has been conducted outside of physics. Within PER, some studies examine the intersection of gender and race, and identify the lack of a single identity as a key challenge of “belonging” in physics. Acknowledging this complexity enables us to further critique what we term a binary gender deficit model. This framework, which is implicit in much of the gender-based PER, casts gender as a fixed binary trait and suggests that women are deficient in characteristics necessary to succeed. Alternative models of gender allow a greater range and fluidity of gender identities, and highlight deficiencies in data that exclude women’s experiences. We suggest new investigations that diverge from this expanded gender framework in PER.

A two potential embedding approach to the electronic structure of disordered binary alloys

International Nuclear Information System (INIS)

Ahmed, M.; Mookerjee, A.

1988-06-01

Using an embedding technique introduced in a recent publication by one of us, we study the electronic structure of disordered binary alloys within a pair-cluster coherent potential approximation. (author). 4 refs, 3 figs

Structure and luminescent property of complexes of aryl carboxylic acid-functionalized polystyrene with Eu(III) and Tb(III) ions.

Science.gov (United States)

Gao, Baojiao; Shi, Nan; Qiao, Zongwen

2015-11-05

Via polymer reactions, naphthoic acid (NA) and benzoic acid (BA) were bonded onto the side chains of polystyrene (PS), respectively, and two aryl carboxylic acid-functionalized polystyrenes, PSNA and PSBA, were obtained. Using PSNA and PSBA as macromolecule ligands and Eu(3+) and Tb(3+) ions as central ions, various luminescent binary polymer-rare earth complexes were prepared. At the same time, with 1,10-phenanthroline (Phen) and 4,4'-bipyridine (Bipy) as small-molecule co-ligands, various ternary polymer-rare earth complexes were also prepared. On the basis of characterizing PSNA, PSBA and complexes, the relationship between structure and luminescent property for these prepared complexes were mainly investigated. The study results show that the macromolecule ligands PSNA and PSBA, or the bonded NA and BA ligands, can strongly sensitize the fluorescence emissions of Eu(3+) ion or Tb(3+) ion, but the sensitization effect is strongly dependent on the structure of the ligands and the property of the central ions, namely it is strongly dependent on the matching degree of energy levels. The fluorescence emission of the binary complex PS-(NA)3-Eu(III) is stronger than that PS-(BA)3-Eu(III), indicating ligand NA has stronger sensitization action for Eu(3+) ion than ligand BA; the binary complex PS-(BA)3-Tb(III) emit strong characteristic fluorescence of Tb(3+) ion, displaying that ligand BA can strongly sensitize Tb(3+) ion, whereas the binary complex PS-(NA)3-Tb(III) nearly does not emit the characteristic fluorescence of Tb(3+) ion, showing that ligand NA does not sensitize Tb(3+) ion. The fluorescence intensity of the ternary complexes is much stronger than that of the binary complexes in the same series. Copyright © 2015 Elsevier B.V. All rights reserved.

Serial binary interval ratios improve rhythm reproduction

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Xiang eWu

2013-08-01

Full Text Available Musical rhythm perception is a natural human ability that involves complex cognitive processes. Rhythm refers to the organization of events in time, and musical rhythms have an underlying hierarchical metrical structure. The metrical structure induces the feeling of a beat and the extent to which a rhythm induces the feeling of a beat is referred to as its metrical strength. Binary ratios are the most frequent interval ratio in musical rhythms. Rhythms with hierarchical binary ratios are better discriminated and reproduced than rhythms with hierarchical non-binary ratios. However, it remains unclear whether a superiority of serial binary over non-binary ratios in rhythm perception and reproduction exists. In addition, how different types of serial ratios influence the metrical strength of rhythms remains to be elucidated. The present study investigated serial binary vs. non-binary ratios in a reproduction task. Rhythms formed with exclusively binary (1:2:4:8, non-binary integer (1:3:5:6, and non-integer (1:2.3:5.3:6.4 ratios were examined within a constant meter. The results showed that the 1:2:4:8 rhythm type was more accurately reproduced than the 1:3:5:6 and 1:2.3:5.3:6.4 rhythm types, and the 1:2.3:5.3:6.4 rhythm type was more accurately reproduced than the 1:3:5:6 rhythm type. Further analyses showed that reproduction performance was better predicted by the distribution pattern of event occurrences within an inter-beat interval, than by the coincidence of events with beats, or the magnitude and complexity of interval ratios. Whereas rhythm theories and empirical data emphasize the role of the coincidence of events with beats in determining metrical strength and predicting rhythm performance, the present results suggest that rhythm processing may be better understood when the distribution pattern of event occurrences is taken into account. These results provide new insights into the mechanisms underlining musical rhythm perception.

Serial binary interval ratios improve rhythm reproduction.

Science.gov (United States)

Wu, Xiang; Westanmo, Anders; Zhou, Liang; Pan, Junhao

2013-01-01

Musical rhythm perception is a natural human ability that involves complex cognitive processes. Rhythm refers to the organization of events in time, and musical rhythms have an underlying hierarchical metrical structure. The metrical structure induces the feeling of a beat and the extent to which a rhythm induces the feeling of a beat is referred to as its metrical strength. Binary ratios are the most frequent interval ratio in musical rhythms. Rhythms with hierarchical binary ratios are better discriminated and reproduced than rhythms with hierarchical non-binary ratios. However, it remains unclear whether a superiority of serial binary over non-binary ratios in rhythm perception and reproduction exists. In addition, how different types of serial ratios influence the metrical strength of rhythms remains to be elucidated. The present study investigated serial binary vs. non-binary ratios in a reproduction task. Rhythms formed with exclusively binary (1:2:4:8), non-binary integer (1:3:5:6), and non-integer (1:2.3:5.3:6.4) ratios were examined within a constant meter. The results showed that the 1:2:4:8 rhythm type was more accurately reproduced than the 1:3:5:6 and 1:2.3:5.3:6.4 rhythm types, and the 1:2.3:5.3:6.4 rhythm type was more accurately reproduced than the 1:3:5:6 rhythm type. Further analyses showed that reproduction performance was better predicted by the distribution pattern of event occurrences within an inter-beat interval, than by the coincidence of events with beats, or the magnitude and complexity of interval ratios. Whereas rhythm theories and empirical data emphasize the role of the coincidence of events with beats in determining metrical strength and predicting rhythm performance, the present results suggest that rhythm processing may be better understood when the distribution pattern of event occurrences is taken into account. These results provide new insights into the mechanisms underlining musical rhythm perception.

Scalable data structure detection and classification for C/C++ binaries

NARCIS (Netherlands)

Haller, I.; Slowinska, J.M.; Bos, H.J.

2015-01-01

Many existing techniques for reversing data structures in C/C ++ binaries are limited to low-level programming constructs, such as individual variables or structs. Unfortunately, without detailed information about a program's pointer structures, forensics and reverse engineering are exceedingly

The Gd{sub 14}Ag{sub 51} structure type and its relation to some complex amalgam structures

Energy Technology Data Exchange (ETDEWEB)

Tambornino, Frank; Sappl, Jonathan; Hoch, Constantin, E-mail: constantin.hoch@cup.uni-muenchen.de

2015-01-05

Highlights: • The Gd{sub 14}Ag{sub 51} structure type has been revisited on the basis of single crystal diffraction data. • Symmetry analysis from electron density and TEM shows the space group P6/m to be true. • Gd{sub 14}Ag{sub 51} shows good metallic behaviour. • Structure relations to alkali, alkaline-earth and rare-earth metal amalgams can be established. • Complexity values for the RE{sub 14}Ag{sub 51} structure family were calculated. - Abstract: A plethora of binary and ternary intermetallic compounds has been assigned to the Gd{sub 14}Ag{sub 51} structure type, crystallising in the hexagonal system (space group P6/m, a = 1264.30(18) pm, c = 933.58(11) pm for Gd{sub 14}Ag{sub 51}). Starting in the late 1960s, much work has been invested in the structural elucidation of these crystal structures. However, reliable single crystal data are scarce, and most structure type assignments have been performed merely on the basis of powder data. We have redetermined four representatives of the binary RE{sub 14}Ag{sub 51} structure type (RE = Y, Ce, Gd, Tb) with modern high-precision single crystal X-ray methods. The assignment of the Gd{sub 14}Ag{sub 51} structure type to space group P6/m was additionally verified by careful analysis of high resolution transmission electron micrographs. We emphasise the close relation of the Gd{sub 14}Ag{sub 51} structure type to the structures of some recently described amalgams of similar composition focussing on disorder phenomena and structural complexity. Furthermore, we provide detailed information on synthesis as well as electrical and magnetic properties for Gd{sub 14}Ag{sub 51}, the parent compound of this structure family.

MemPick : High-level data structure detection in C/C++ binaries

NARCIS (Netherlands)

Haller, Istvan; Slowinska, Asia; Bos, Herbert

2013-01-01

Many existing techniques for reversing data structures in C/C++ binaries are limited to low-level programming constructs, such as individual variables or structs. Unfortunately, without detailed information about a program's pointer structures, forensics and reverse engineering are exceedingly hard.

Formation constants of binary complexes of lanthanides with 2-hydroxymethyl-benzimidazole

Energy Technology Data Exchange (ETDEWEB)

Nagendram, A; Omprakash, K L; Chandra Pal, A V; Reddy, M L.N.

1988-03-01

Proton-ligand and metal-ligand formation constants of binary complexes of La(III), Pr(III), Nd(III), Gd(III), Dy(III) and Y(III) with 2-hydroxymethylbenzimidazole have been determined pH-metrically in 50 per cent v/v aq dioxane medium at 30deg, 40deg and 50degC and I=0.1 M (NaClO/sub 4/). The theromdynamic parameters of complex formation have been evaluated. Stabilities (log ..beta../sub 2/ values) of the chelates increase with decrease in ionic radius of the metal (Dy(III) > Gd(III) > Y(III) > Nd(III) > Pr(III) > La(III)). (author). 7 refs.

Smoothed analysis of binary search trees

NARCIS (Netherlands)

Manthey, Bodo; Reischuk, Rüdiger

2007-01-01

Binary search trees are one of the most fundamental data structures. While the height of such a tree may be linear in the worst case, the average height with respect to the uniform distribution is only logarithmic. The exact value is one of the best studied problems in average-case complexity. We

3D complex: a structural classification of protein complexes.

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Emmanuel D Levy

2006-11-01

Full Text Available Most of the proteins in a cell assemble into complexes to carry out their function. It is therefore crucial to understand the physicochemical properties as well as the evolution of interactions between proteins. The Protein Data Bank represents an important source of information for such studies, because more than half of the structures are homo- or heteromeric protein complexes. Here we propose the first hierarchical classification of whole protein complexes of known 3-D structure, based on representing their fundamental structural features as a graph. This classification provides the first overview of all the complexes in the Protein Data Bank and allows nonredundant sets to be derived at different levels of detail. This reveals that between one-half and two-thirds of known structures are multimeric, depending on the level of redundancy accepted. We also analyse the structures in terms of the topological arrangement of their subunits and find that they form a small number of arrangements compared with all theoretically possible ones. This is because most complexes contain four subunits or less, and the large majority are homomeric. In addition, there is a strong tendency for symmetry in complexes, even for heteromeric complexes. Finally, through comparison of Biological Units in the Protein Data Bank with the Protein Quaternary Structure database, we identified many possible errors in quaternary structure assignments. Our classification, available as a database and Web server at http://www.3Dcomplex.org, will be a starting point for future work aimed at understanding the structure and evolution of protein complexes.

Special quasirandom structures for binary/ternary group IV random alloys

KAUST Repository

Chroneos, Alexander I.; Jiang, Chao; Grimes, Robin W.; Schwingenschlö gl, Udo

2010-01-01

Simulation of defect interactions in binary/ternary group IV semiconductor alloys at the density functional theory level is difficult due to the random distribution of the constituent atoms. The special quasirandom structures approach is a

The electronic structure of ordered binary Co-Pt compounds

NARCIS (Netherlands)

Kootte, A.; Haas, C.; Groot, R.A. de

1991-01-01

In this article we present the results of spin-polarized band-structure calculations on the ordered binary compounds of Co-Pt. Comparison is made with experimental values for the magnetic moments. The results of our calculations show a non-local magnetic moment behaviour in these systems.

Distances, Kinematics, And Structure Of The Orion Complex

Science.gov (United States)

Kounkel, Marina; Hartmann, Lee

2018-01-01

I present an analysis of the structure and kinematics of the Orion Molecular Cloud Complex in an effort to better characterize the dynamical state of the closest region of ongoing massive star formation. I measured stellar parallax and proper motions with Orion Complex. This includes the first direct distance measurements for sources that are located outside of the Orion Nebula. I identified a number of binary systems in the VLBI dataset and fitted their orbital motion, which allows for the direct measurement of the masses of the individual components. Additionally, I have identified several stars that have been ejected from the Orion Nebula due to strong gravitational interactions with the most massive members. I complemented the parallax and proper motion measurements with the observations of optical radial velocities of the stars toward the Orion Complex, probing the histories of both dynamic evolution and star formation in the region, providing a 6-dimensional model of the Complex. These observations can serve as a baseline for comparison of the upcoming results from the Gaia space telescope

Novel phases of lithium-aluminum binaries from first-principles structural search

Energy Technology Data Exchange (ETDEWEB)

Sarmiento-Pérez, Rafael; Cerqueira, Tiago F. T.; Botti, Silvana; Marques, Miguel A. L., E-mail: marques@tddft.org [Institut Lumière Matière (UMR5306) and ETSF, Université Lyon 1-CNRS, Université de Lyon, F-69622 Villeurbanne Cedex (France); Valencia-Jaime, Irais [Institut Lumière Matière (UMR5306) and ETSF, Université Lyon 1-CNRS, Université de Lyon, F-69622 Villeurbanne Cedex (France); Centro de Investigación y Estudios Avanzados del IPN, MX-76230 Querétaro (Mexico); Amsler, Maximilian; Goedecker, Stefan [Department of Physics, Universität Basel, Klingelbergstr. 82, 4056 Basel (Switzerland); Romero, Aldo H. [Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

2015-01-14

Intermetallic Li–Al compounds are on the one hand key materials for light-weight engineering, and on the other hand, they have been proposed for high-capacity electrodes for Li batteries. We determine from first-principles the phase diagram of Li–Al binary crystals using the minima hopping structural prediction method. Beside reproducing the experimentally reported phases (LiAl, Li{sub 3}Al{sub 2}, Li{sub 9}Al{sub 4}, LiAl{sub 3}, and Li{sub 2}Al), we unveil a structural variety larger than expected by discovering six unreported binary phases likely to be thermodynamically stable. Finally, we discuss the behavior of the elastic constants and of the electric potential profile of all Li–Al stable compounds as a function of their stoichiometry.

Correction: A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

Science.gov (United States)

Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

2016-12-22

Correction for 'A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide' by Chee Koon Ng et al., Chem. Commun., 2016, 52, 11842-11845.

A thermodynamic study of complexation process between N, N'-dipyridoxylidene(1,4-butanediamine) and Cd2+ in some binary mixed solvents using conductometry

Science.gov (United States)

Ebrahimpoor, Sonia; Khoshnood, Razieh Sanavi; Beyramabadi, S. Ali

2016-12-01

Complexation of the Cd2+ ion with N, N'-dipyridoxylidene(1,4-butanediamine) Schiff base was studied in pure solvents including acetonitrile (AN), ethanol (EtOH), methanol (MeOH), tetrahydrofuran (THF), dimethylformamide (DMF), water (H2O), and various binary solvent mixtures of acetonitrile-ethanol (AN-EtOH), acetonitrile-methanol (AN-MeOH), acetonitrile-tetrahydrofuran (AN-THF), acetonitrile-dimethylformamide (AN-DMF), and acetonitrile-water (AN-H2O) systems at different temperatures using the conductometric method. The conductance data show that the stoichiometry of complex is 1: 1 [ML] in all solvent systems. A non-linear behavior was observed for changes of log K f of [Cd( N, N'-dipyridoxylidene(1,4-butanediamine)] complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent interactions. The results show that the thermodynamics of complexation reaction is affected by the nature and composition of the mixed solvents.

Computation of infinite dilute activity coefficients of binary liquid alloys using complex formation model

Energy Technology Data Exchange (ETDEWEB)

Awe, O.E., E-mail: draweoe2004@yahoo.com; Oshakuade, O.M.

2016-04-15

A new method for calculating Infinite Dilute Activity Coefficients (γ{sup ∞}s) of binary liquid alloys has been developed. This method is basically computing γ{sup ∞}s from experimental thermodynamic integral free energy of mixing data using Complex formation model. The new method was first used to theoretically compute the γ{sup ∞}s of 10 binary alloys whose γ{sup ∞}s have been determined by experiments. The significant agreement between the computed values and the available experimental values served as impetus for applying the new method to 22 selected binary liquid alloys whose γ{sup ∞}s are either nonexistent or incomplete. In order to verify the reliability of the computed γ{sup ∞}s of the 22 selected alloys, we recomputed the γ{sup ∞}s using three other existing methods of computing or estimating γ{sup ∞}s and then used the γ{sup ∞}s obtained from each of the four methods (the new method inclusive) to compute thermodynamic activities of components of each of the binary systems. The computed activities were compared with available experimental activities. It is observed that the results from the method being proposed, in most of the selected alloys, showed better agreement with experimental activity data. Thus, the new method is an alternative and in certain instances, more reliable approach of computing γ{sup ∞}s of binary liquid alloys.

APPLICATION OF A LATTICE GAS MODEL FOR SUBPIXEL PROCESSING OF LOW-RESOLUTION IMAGES OF BINARY STRUCTURES

Directory of Open Access Journals (Sweden)

Zbisław Tabor

2011-05-01

Full Text Available In the study an algorithm based on a lattice gas model is proposed as a tool for enhancing quality of lowresolution images of binary structures. Analyzed low-resolution gray-level images are replaced with binary images, in which pixel size is decreased. The intensity in the pixels of these new images is determined by corresponding gray-level intensities in the original low-resolution images. Then the white phase pixels in the binary images are assumed to be particles interacting with one another, interacting with properly defined external field and allowed to diffuse. The evolution is driven towards a state with maximal energy by Metropolis algorithm. This state is used to estimate the imaged object. The performance of the proposed algorithm and local and global thresholding methods are compared.

Study on effect of L-arginine on solubility and dissolution of Zaltoprofen: Preparation and characterization of binary and ternary cyclodextrin inclusion complexes

Science.gov (United States)

Sherje, Atul P.; Patel, Forum; Murahari, Manikanta; Suvarna, Vasanti; Patel, Kavitkumar

2018-02-01

The present study demonstrated the binary and ternary complexes of Zaltoprofen (ZPF) with β-CD and HP-β-CD. The products were characterized using solubility, in vitro dissolution, and DSC studies. The mode of interaction of guest and host was revealed through 1H NMR and FT-IR studies. A significant increase was noticed in the stability constant (Kc) and complexation efficiency (CE) of β-CD and HP-β-CD due to addition of L-Arg in ternary complexes. The ternary complexes showed greater increase in solubility and dissolution of ZPF than binary complexes. Thus, ternary system of ZPF could be an innovative approach for its solubility and dissolution enhancement.

Converting optical scanning holograms of real objects to binary Fourier holograms using an iterative direct binary search algorithm.

Science.gov (United States)

Leportier, Thibault; Park, Min Chul; Kim, You Seok; Kim, Taegeun

2015-02-09

In this paper, we present a three-dimensional holographic imaging system. The proposed approach records a complex hologram of a real object using optical scanning holography, converts the complex form to binary data, and then reconstructs the recorded hologram using a spatial light modulator (SLM). The conversion from the recorded hologram to a binary hologram is achieved using a direct binary search algorithm. We present experimental results that verify the efficacy of our approach. To the best of our knowledge, this is the first time that a hologram of a real object has been reconstructed using a binary SLM.

Ab initio study of electron-ion structure factors in binary liquids with different types of chemical bonding

International Nuclear Information System (INIS)

Klevets, Ivan; Bryk, Taras

2014-01-01

Electron-ion structure factors, calculated in ab initio molecular dynamics simulations, are reported for several binary liquids with different kinds of chemical bonding: metallic liquid alloy Bi–Pb, molten salt RbF, and liquid water. We derive analytical expressions for the long-wavelength asymptotes of the partial electron-ion structure factors of binary systems and show that the analytical results are in good agreement with the ab initio simulation data. The long-wavelength behaviour of the total charge structure factors for the three binary liquids is discussed

Natural quasy-periodic binary structure with focusing property in near field diffraction pattern.

Science.gov (United States)

Mihailescu, Mona

2010-06-07

A naturally-inspired phase-only diffractive optical element with a circular symmetry given by a quasi-periodic structure of the phyllotaxis type is presented in this paper. It is generated starting with the characteristic parametric equations which are optimal for the golden angle interval. For some ideal geometrical parameters, the diffracted intensity distribution in near-field has a central closed ring with almost zero intensity inside. Its radius and intensity values depend on the geometry or non-binary phase distribution superposed onto the phyllotaxis geometry. Along propagation axis, the transverse diffraction patterns from the binary-phase diffractive structure exhibit a self-focusing behavior and a rotational motion.

Computation of complexity measures of morphologically significant zones decomposed from binary fractal sets via multiscale convexity analysis

International Nuclear Information System (INIS)

Lim, Sin Liang; Koo, Voon Chet; Daya Sagar, B.S.

2009-01-01

Multiscale convexity analysis of certain fractal binary objects-like 8-segment Koch quadric, Koch triadic, and random Koch quadric and triadic islands-is performed via (i) morphologic openings with respect to recursively changing the size of a template, and (ii) construction of convex hulls through half-plane closings. Based on scale vs convexity measure relationship, transition levels between the morphologic regimes are determined as crossover scales. These crossover scales are taken as the basis to segment binary fractal objects into various morphologically prominent zones. Each segmented zone is characterized through normalized morphologic complexity measures. Despite the fact that there is no notably significant relationship between the zone-wise complexity measures and fractal dimensions computed by conventional box counting method, fractal objects-whether they are generated deterministically or by introducing randomness-possess morphologically significant sub-zones with varied degrees of spatial complexities. Classification of realistic fractal sets and/or fields according to sub-zones possessing varied degrees of spatial complexities provides insight to explore links with the physical processes involved in the formation of fractal-like phenomena.

Biomimetic superhydrophobic surface of high adhesion fabricated with micronano binary structure on aluminum alloy.

Science.gov (United States)

Liu, Yan; Liu, Jindan; Li, Shuyi; Liu, Jiaan; Han, Zhiwu; Ren, Luquan

2013-09-25

Triggered by the microstructure characteristics of the surfaces of typical plant leaves such as the petals of red roses, a biomimetic superhydrophobic surface with high adhesion is successfully fabricated on aluminum alloy. The essential procedure is that samples were processed by a laser, then immersed and etched in nitric acid and copper nitrate, and finally modified by DTS (CH3(CH2)11Si(OCH3)3). The obtained surfaces exhibit a binary structure consisting of microscale crater-like pits and nanoscale reticula. The superhydrophobicity can be simultaneously affected by the micronano binary structure and chemical composition of the surface. The contact angle of the superhydrophobic surface reaches up to 158.8 ± 2°. Especially, the surface with micronano binary structure is revealed to be an excellent adhesive property with petal-effect. Moreover, the superhydrophobic surfaces show excellent stability in aqueous solution with a large pH range and after being exposed long-term in air. In this way, the multifunctional biomimetic structural surface of the aluminum alloy is fabricated. Furthermore, the preparation technology in this article provides a new route for other metal materials.

Conductance Studies on Complex Formation between c-Methylcalix[4]resorcinarene and Titanium (III in Acetonitrile-H2O Binary Solutions

Directory of Open Access Journals (Sweden)

Naghmeh Saadati

2013-09-01

Full Text Available Calixresorcinarenes have proved to be unique molecules for molecular recognition via hydrogen bonding, hydrophobic and ionic interactions with suitable substrates such as cations. The study of the interactions involved in the complexation of different cations with calixresorcinarenes in solvent mixtures is important for a better understanding of the mechanism of biological transport, molecular recognition, and other analytical applications. This article summarizes different aspects of the complexes of the Ti3+ metal cation with c-methylcalix[4]resorcinarene (CMCR as studied by conductometry in acetonitrile (AN–water (H2O binary mixtures at different temperatures. Conductance data show that the metal cation/ligand (ML stoichiometry of the complexes in solution is 1:1 in all cases. Non-linear behaviour was observed for the variation of logKf of the complexes vs. the composition of the binary solvent mixtures. Selectivity of CMCR for the Ti3+ cation is sensitive to solvent composition; in some cases and at certain compositions of the mixed solvent systems, the selectivity order is changed. Values of thermodynamic parameters (, for formation of the CMCR–Ti3+ complexes in AN–H2O binary systems were obtained from the temperature dependence of stability constants, and the results show that the thermodynamics of complexation reactions are affected by the nature and composition of the mixed solvents.

Quasi-two-dimensional complex plasma containing spherical particles and their binary agglomerates.

Science.gov (United States)

Chaudhuri, M; Semenov, I; Nosenko, V; Thomas, H M

2016-05-01

A unique type of quasi-two-dimensional complex plasma system was observed which consisted of monodisperse microspheres and their binary agglomerations (dimers). The particles and their dimers levitated in a plasma sheath at slightly different heights and formed two distinct sublayers. The system did not crystallize and may be characterized as a disordered solid. The dimers were identified based on their characteristic appearance in defocused images, i.e., rotating interference fringe patterns. The in-plane and interplane particle separations exhibit nonmonotonic dependence on the discharge pressure.

Binary GCD like Algorithms for Some Complex Quadratic Rings

DEFF Research Database (Denmark)

Agarwal, Saurabh; Frandsen, Gudmund Skovbjerg

2004-01-01

On the lines of the binary gcd algorithm for rational integers, algorithms for computing the gcd are presented for the ring of integers in where . Thus a binary gcd like algorithm is presented for a unique factorization domain which is not Euclidean (case d=-19). Together with the earlier known b...

Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

NARCIS (Netherlands)

Braun, S.; Kraska, T.; Kalikmanov, V.I.

2013-01-01

Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

Vibrational spectroscopy and structural analysis of uranium complexes

Energy Technology Data Exchange (ETDEWEB)

Umrejko, D.S.; Nikanovich, M.V.

1984-12-01

On the basis of experimental and theoretical studies of vibbrational spectra for halides, sulfates, phosphates, uranyl oxalates (and uranium) as well as for more complicated complex systems, reliable spectroscopic criteria have been established for estimation of their structural features by more simple and accessible (than direct) methods. Due to coordination to a central ion of U/sup 6/(U/sup 4/) ligands a geometry variation specific for each method of addition occurs and concomitant redistribution of the force interaction in the mentioned system as well, which directly affects the variation of their frequency characteristics and vibration modes. On this ground stable indications of particular types of coordination for mono- and polyatomic groups (including bridge-type, characteristic of polymetric structures) are pointed out in the IR absorption and Raman spectra. In the investigated structures the predominant effect of coordination on the spectral properties of complexes, as compared with other factors (for example, outer-sphere binding) is established. The presence of water molecules in an interlayer space does not tell essentially on the state of polyatomic ligands with all donor atoms bound with the uranium central atom (particularly, in binary uranyl phosphates). In the presence of free oxygen atoms the H/sub 2/O effect can lead only to some shift of the maxima of separate bands and their additional weak splitting (in uranyl sulfates).

Generation of binary holograms with a Kinect sensor for a high speed color holographic display

Science.gov (United States)

Leportier, Thibault; Park, Min-Chul; Yano, Sumio; Son, Jung-Young

2017-05-01

The Kinect sensor is a device that enables to capture a real scene with a camera and a depth sensor. A virtual model of the scene can then be obtained with a point cloud representation. A complex hologram can then be computed. However, complex data cannot be used directly because display devices cannot handle amplitude and phase modulation at the same time. Binary holograms are commonly used since they present several advantages. Among the methods that were proposed to convert holograms into a binary format, the direct-binary search (DBS) not only gives the best performance, it also offers the possibility to choose the display parameters of the binary hologram differently than the original complex hologram. Since wavelength and reconstruction distance can be modified, compensation of chromatic aberrations can be handled. In this study, we examine the potential of DBS for RGB holographic display.

Use of isoconcentrational phase diagrams for prediction of amorphization of binary systems

International Nuclear Information System (INIS)

Lazarev, A.I.; Belashchenko, D.K.

1992-01-01

Based on the application of isoconcentrational diagrams of phase equilibria of liquid with solid solutions of various crystal structures the thermodynamic method was considered for prediction of concentration ranges of amorphization in binary systems.To confirm the applicability of the thermodynamic criterion in practice caclulations of phase diagrams were accomplished for complex binary eutectic systems (Hf-Be, Zr-Be) with the known concentration ranges of amorphization

Emulsification in binary liquids containing colloidal particles: a structure-factor analysis

International Nuclear Information System (INIS)

Thijssen, Job H J; Clegg, Paul S

2010-01-01

We present a quantitative confocal-microscopy study of the transient and final microstructure of particle-stabilized emulsions formed via demixing in a binary liquid. To this end, we have developed an image-analysis method that relies on structure factors obtained from discrete Fourier transforms of individual frames in confocal image sequences. Radially averaging the squared modulus of these Fourier transforms before peak fitting allows extraction of dominant length scales over the entire temperature range of the quench. Our procedure even yields information just after droplet nucleation, when the (fluorescence) contrast between the two separating phases is scarcely discernible in the images. We find that our emulsions are stabilized on experimental timescales by interfacial particles and that they are likely to have bimodal droplet-size distributions. We attribute the latter to coalescence together with creaming being the main coarsening mechanism during the late stages of emulsification and we support this claim with (direct) confocal-microscopy observations. In addition, our results imply that the observed droplets emerge from particle-promoted nucleation, possibly followed by a free-growth regime. Finally, we argue that creaming strongly affects droplet growth during the early stages of emulsification. Future investigations could clarify the link between quench conditions and resulting microstructure, paving the way for tailor-made particle-stabilized emulsions from binary liquids.

Phase behaviour, interactions, and structural studies of (amines+ionic liquids) binary mixtures.

Science.gov (United States)

Jacquemin, Johan; Bendová, Magdalena; Sedláková, Zuzana; Blesic, Marijana; Holbrey, John D; Mullan, Claire L; Youngs, Tristan G A; Pison, Laure; Wagner, Zdeněk; Aim, Karel; Costa Gomes, Margarida F; Hardacre, Christopher

2012-05-14

We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [C(n)mim] [NTf(2)] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C(2)mim] [NTf(2)]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C(2)mim][NTf(2)]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

Science.gov (United States)

Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

2016-09-27

Binary catalyst systems comprising a cationic Ru-CNC pincer complex and an alkali metal salt were developed for selective hydroboration of CO 2 utilizing pinacolborane at r.t. and 1 atm CO 2 , with the combination of [Ru(CNC Bn )(CO) 2 (H)][PF 6 ] and KOCO 2 t Bu producing formoxyborane in 76% yield. A bicyclic catalytic mechanism was proposed and discussed.

Recoil implantation reactions in binary mixtures of catcher complexes and in mixed ligand catchers

International Nuclear Information System (INIS)

Sekine, Tsutomu; Sano, Masaaki; Yoshihara, Kenji

1989-01-01

Recoil implantation reactions were studied in binary mixtures of catcher complexes of tris(β-diketonato)metal(III) and in single-component catcher complexes of Cr(acac) n (dbm) 3-n where n=1 and 2. For the mixtures of M(acac) 3 and M(dbm) 3 , the products of 51 Cr(acac) 3 and 51 Cr(dbm) 3 were obtained as major components while 51 Cr(acac) 2 (dbm) and 51 Cr(acac)(dbm) 2 were seen as minor components. For the single component catcher complexes, predominant chemical species were parent retention type compounds. In addition to retentions there were product distributions which indicated a strong preference for acac pickup. The results were interpreted by a model which involves displacement reaction as a main process and ligand pickup reactions as side processes. (orig.)

Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation.

Science.gov (United States)

He, Hongzhen; Ding, Yi; Bartlam, Mark; Sun, Fei; Le, Yi; Qin, Xincheng; Tang, Hong; Zhang, Rongguang; Joachimiak, Andrzej; Liu, Jinyuan; Zhao, Nanming; Rao, Zihe

2003-01-31

Tabtoxin resistance protein (TTR) is an enzyme that renders tabtoxin-producing pathogens, such as Pseudomonas syringae, tolerant to their own phytotoxins. Here, we report the crystal structure of TTR complexed with its natural cofactor, acetyl coenzyme A (AcCoA), to 1.55A resolution. The binary complex forms a characteristic "V" shape for substrate binding and contains the four motifs conserved in the GCN5-related N-acetyltransferase (GNAT) superfamily, which also includes the histone acetyltransferases (HATs). A single-step mechanism is proposed to explain the function of three conserved residues, Glu92, Asp130 and Tyr141, in catalyzing the acetyl group transfer to its substrate. We also report that TTR possesses HAT activity and suggest an evolutionary relationship between TTR and other GNAT members.

Study of complexation process between 4'-nitrobenzo-15-crown-5 and yttrium(III) cation in binary mixed non-aqueous solvents using conductometric method

Science.gov (United States)

Habibi, N.; Rounaghi, G. H.; Mohajeri, M.

2012-12-01

The complexation reaction of macrocyclic ligand (4'-nitrobenzo-15C5) with Y3+ cation was studied in acetonitrile-methanol (AN-MeOH), acetonitrile-ethanol (AN-EtOH), acetonitrile-dimethylformamide (AN-DMF) and ethylacetate-methanol (EtOAc-MeOH) binary mixtures at different temperatures using conductometry method. The conductivity data show that in all solvent systems, the stoichiometry of the complex formed between 4'-nitrobenzo-15C5 and Y3+ cation is 1: 1 (ML). The stability order of (4'-nitrobenzo-15C5). Y3+ complex in pure non-aqueous solvents at 25°C was found to be: EtOAc > EtOH > AN ≈ DMF > MeOH, and in the case of most compositions of the binary mixed solvents at 25°C it was: AN≈MeOH ≈ AN-EtOH > AN-DMF > EtOAc-MeOH. But the results indicate that the sequence of the stability of the complex in the binary mixed solutions changes with temperature. A non-linear behavior was observed for changes of log K f of (4'-nitrobenzo-15C5 · Y3+) complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent interactions and also the hetero-selective solvation of the species involved in the complexation reaction. The values of thermodynamic parameters (Δ H {c/ℴ} and Δ S {c/ℴ}) for formation of the complex were obtained from temperature dependent of the stability constant using the van't Hoff plots. The results represent that in most cases, the complex is both enthalpy and entropy stabilized and the values and also the sign of thermodynamic parameters are influenced by the nature and composition of the mixed solvents.

Black holes in binary stars

NARCIS (Netherlands)

Wijers, R.A.M.J.

1996-01-01

Introduction Distinguishing neutron stars and black holes Optical companions and dynamical masses X-ray signatures of the nature of a compact object Structure and evolution of black-hole binaries High-mass black-hole binaries Low-mass black-hole binaries Low-mass black holes Formation of black holes

Structures, equilibria and ligand exchange dynamics in the binary and ternary dioxouranium(VI)-ethylenediamine-N-N'-diacetic acid - fluoride system; a potentiometric, NMR and X-ray study

International Nuclear Information System (INIS)

Palladino, G.; Szabo, Z.; Fischer, A.; Grenthe, I.

2005-01-01

Full text of publication follows: The structure, thermodynamics and kinetics of the binary and ternary Uranyl(VI)- ethylenediamine- N-N'-di-acetate (in the following denoted EDDA) fluoride system have been studied using potentiometry, 1 H, 19 F NMR and a single-crystal X-ray determination. The potentiometric data were obtained using measurements of the free hydrogen ion and fluoride concentrations with glass and fluoride electrodes, respectively. The experimental data were used to deduce stoichiometry and equilibrium constants using a least square refinements programme. The UO 2 2+ - EDDA system could be studied up to -log[H 3 O + ] 3.4, after which a precipitate was formed. The test solutions contained two binary complexes, the uncharged UO 2 (EDDA)(aq) and UO 2 (H 3 EDDA) 3+ , with equilibrium constants log β(UO 2 EDDA) = 11.63 ± 0.02 and log β(UO 2 H 3 EDDA 3+ ) = 1.77 ± 0.04, respectively. By using fluoride as additional ligand the solubility increases because of the formation of very stable ternary complexes that allowed an experimental study over a larger pH range. The structure of the complexes in the ternary system was deduced using a combination of 1 H and 19 F NMR spectroscopy. The 19 F NMR spectra at lower pH, had peaks from the binary fluoride complexes (UO 2 F + , UO 2 F 2 (aq) and UO 2 F 3 - ) that could be used to obtain information on the equilibrium constants in the ternary system; at -log[H 3 O + ] > 4.7 new signals for the complexes (UO 2 ) 2 (EDDA) 2 F 2 2- , and UO 2 (EDDA)F - were observed. The analyses of 1 H NMR spectra indicate clearly that the EDDA ligand is chelate bonded in UO 2 (EDDA)F-. The fluorine exchange between UO 2 (EDDA)F- and UO 2 F 3 - was studied using 19 F NMR line-broadening technique. The experimental rate constant is k obs = k 0 + k 1 [UO 2 F 3 - ], with k 0 (3.24 ± 0.06) 10 2 s -1 and k 1 = (71.2 ± 2.3) 10 3 M -1 s -1 .The rate and the activation parameters for the exchange between UO 2 (EDDA)F - complex and free

The band gap variation of a two dimensional binary locally resonant structure in thermal environment

Directory of Open Access Journals (Sweden)

Zhen Li

2017-01-01

Full Text Available In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap. A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

A BiCMOS Binary Hysteresis Chaos Generator

Science.gov (United States)

Ahmadi, S.; Newcomb, R. W.

A previous op-amp RC circuit which was proven to give chaotic signals is converted to a BiCMOS design more suitable to integrated circuit realization. The structure results from a degree two differential equation which includes binary hysteresis as its nonlinearity. The circuit is realized by differential (voltage to current) pairs feeding two capacitors, which carry the dynamics, with the key component being a (voltage to current) binary hysteresis circuit due to Linares.

A combined experimental and theoretical approach to the study of hydrogen bond interaction in the binary mixture of N-methylimidazole with water

International Nuclear Information System (INIS)

Huang, Rongyi; Du, Rongbin; Liu, Guangxiang; Zhao, Xiuqin; Ye, Shiyong; Wu, Genhua

2012-01-01

Highlights: ► Densities of N-methylimidazole with water binary mixture were measured. ► Excess molar volumes were fitted to Redlich–Kister polynomial equation. ► Excess molar volumes are negative in the whole mole fraction range. ► 1:1 Hydrogen complex formation between the unlike components was observed. ► Formation of hydrogen bonds in the binary mixture was confirmed by DFT//B3LYP. - Abstract: The intermolecular hydrogen bond interactions in the N-methylimidazole (MeIm) with water binary mixture have been studied by a combined experimental and theoretical approach. The densities of the binary mixture have been measured at T = (288.15 to 323.15) K and at atmospheric pressure. From the experimental data, excess molar volumes were determined as a function of composition at each temperature. The results reveal the formation of 1:1 hydrogen bond complex between MeIm with water at the maximal excess molar volume. Meanwhile, the formation of hydrogen bonds in the binary mixture was further confirmed by high level theoretical calculation. The structures, interactional energies and bond characteristics of the hydrogen bond complexes were calculated in the gas phase using density functional theory (DFT) at the B3LYP/6-311++G(d, p) theory levels. The changes of thermodynamic properties from the monomers to hydrogen bond complexes with the temperature ranging from (288.15 to 323.15) K were obtained using the statistical thermodynamic method. Thermodynamic analyses have been interpreted in terms of intermolecular interactions and excess molar volume changes in the binary mixture. It was also found that the formation reaction of the hydrogen bond complex of MeIm with water was an exothermic, entropy reduced and spontaneous thermodynamic process at all the temperature studied.

Binary Stochastic Representations for Large Multi-class Classification

KAUST Repository

Gerald, Thomas

2017-10-23

Classification with a large number of classes is a key problem in machine learning and corresponds to many real-world applications like tagging of images or textual documents in social networks. If one-vs-all methods usually reach top performance in this context, these approaches suffer of a high inference complexity, linear w.r.t. the number of categories. Different models based on the notion of binary codes have been proposed to overcome this limitation, achieving in a sublinear inference complexity. But they a priori need to decide which binary code to associate to which category before learning using more or less complex heuristics. We propose a new end-to-end model which aims at simultaneously learning to associate binary codes with categories, but also learning to map inputs to binary codes. This approach called Deep Stochastic Neural Codes (DSNC) keeps the sublinear inference complexity but do not need any a priori tuning. Experimental results on different datasets show the effectiveness of the approach w.r.t. baseline methods.

Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for {beta}-lactam acetylation.

Energy Technology Data Exchange (ETDEWEB)

He, H.; Ding, Y.; Bartlam, M.; Sun, F.; Le, Y.; Qin, X.; Tang, H.; Zhang, R.; Joachimiak, A.; Liu, J.; Zhao, N.; Rao, Z.; Biosciences Division; Tsinghua Univ.; Chinese Academy of Science

2003-01-31

Tabtoxin resistance protein (TTR) is an enzyme that renders tabtoxin-producing pathogens, such as Pseudomonas syringae, tolerant to their own phytotoxins. Here, we report the crystal structure of TTR complexed with its natural cofactor, acetyl coenzyme A (AcCoA), to 1.55 {angstrom} resolution. The binary complex forms a characteristic 'V' shape for substrate binding and contains the four motifs conserved in the GCN5-related N-acetyltransferase (GNAT) superfamily, which also includes the histone acetyltransferases (HATs). A single-step mechanism is proposed to explain the function of three conserved residues, Glu92, Asp130 and Tyr141, in catalyzing the acetyl group transfer to its substrate. We also report that TTR possesses HAT activity and suggest an evolutionary relationship between TTR and other GNAT members.

Special quasirandom structures for binary/ternary group IV random alloys

KAUST Repository

Chroneos, Alexander I.

2010-06-01

Simulation of defect interactions in binary/ternary group IV semiconductor alloys at the density functional theory level is difficult due to the random distribution of the constituent atoms. The special quasirandom structures approach is a computationally efficient way to describe the random nature. We systematically study the efficacy of the methodology and generate a number of special quasirandom cells for future use. In order to demonstrate the applicability of the technique, the electronic structures of E centers in Si1-xGex and Si1-x -yGexSny alloys are discussed for a range of nearest neighbor environments. © 2010 Elsevier B.V. All rights reserved.

Development and clinical evaluation of a novel immunoassay for the binary complex of IGF-I and IGF-binding protein-1 in human serum

DEFF Research Database (Denmark)

Frystyk, Jan; Højlund, Kurt; Rasmussen, Kirsten Nyborg

2002-01-01

Correlation studies have suggested that IGF-binding protein (IGFBP)-1 is a dynamic regulator of free IGF-I. To further study this, we developed a monoclonal immunofluorometric assay specific for the binary complex of IGF-I and IGFBP-1 in human serum. An IGFBP-1 antibody, which recognizes all...... phospho-forms of IGFBP-1, was used for coating. An europium-labeled IGF-I antibody served as tracer. Assay incubation was performed at conditions approaching those in vivo (i.e. pH 7.4, 37 C). The assay was highly specific: no signal was obtained unless both IGF-I and IGFBP-1 were present and neither...... IGFBP-2, -3, -4, nor IGF-II caused any cross-reaction. The linear standard curve covered 3 orders of magnitude, and within and in-between assay coefficients of variation were less than 5 and 15%, respectively. To study the dynamic relationship between free IGF-I and binary complex formation, seven...

Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

Energy Technology Data Exchange (ETDEWEB)

Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

2015-11-28

Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors

Energy Technology Data Exchange (ETDEWEB)

Lindenberger, Jared J.; Veleti, Sri Kumar; Wilson, Brittney N.; Sucheck, Steven J.; Ronning, Donald R. (Toledo)

2015-08-06

GlgE is a bacterial maltosyltransferase that catalyzes the elongation of a cytosolic, branched α-glucan. In Mycobacterium tuberculosis (M. tb), inactivation of GlgE (Mtb GlgE) results in the rapid death of the organism due to a toxic accumulation of the maltosyl donor, maltose-1-phosphate (M1P), suggesting that GlgE is an intriguing target for inhibitor design. In this study, the crystal structures of the Mtb GlgE in a binary complex with maltose and a ternary complex with maltose and a maltosyl-acceptor molecule, maltohexaose, were solved to 3.3 Å and 4.0 Å, respectively. The maltohexaose structure reveals a dominant site for α-glucan binding. To obtain more detailed interactions between first generation, non-covalent inhibitors and GlgE, a variant Streptomyces coelicolor GlgEI (Sco GlgEI-V279S) was made to better emulate the Mtb GlgE M1P binding site. The structure of Sco GlgEI-V279S complexed with α-maltose-C-phosphonate (MCP), a non-hydrolyzable substrate analogue, was solved to 1.9 Å resolution, and the structure of Sco GlgEI-V279S complexed with 2,5-dideoxy-3-O-α-D-glucopyranosyl-2,5-imino-D-mannitol (DDGIM), an oxocarbenium mimic, was solved to 2.5 Å resolution. These structures detail important interactions that contribute to the inhibitory activity of these compounds, and provide information on future designs that may be exploited to improve upon these first generation GlgE inhibitors.

Detecting Malicious Code by Binary File Checking

Directory of Open Access Journals (Sweden)

Marius POPA

2014-01-01

Full Text Available The object, library and executable code is stored in binary files. Functionality of a binary file is altered when its content or program source code is changed, causing undesired effects. A direct content change is possible when the intruder knows the structural information of the binary file. The paper describes the structural properties of the binary object files, how the content can be controlled by a possible intruder and what the ways to identify malicious code in such kind of files. Because the object files are inputs in linking processes, early detection of the malicious content is crucial to avoid infection of the binary executable files.

Evidence of a stable binary CdCa quasicrystalline phase

DEFF Research Database (Denmark)

Jiang, Jianzhong; Jensen, C.H.; Rasmussen, A.R.

2001-01-01

Quasicrystals with a primitive icosahedral structure and a quasilattice constant of 5.1215 Angstrom have been synthesized in a binary Cd-Ca system. The thermal stability of the quasicrystal has been investigated by in situ high-temperature x-ray powder diffraction using synchrotron radiation. It ....... It is demonstrated that the binary CdCa quasicrystal is thermodynamic stable up to its melting temperature. The linear thermal expansion coefficient of the quasicrystal is 2.765x10(-5) K-1. (C) 2001 American Institute of Physics.......Quasicrystals with a primitive icosahedral structure and a quasilattice constant of 5.1215 Angstrom have been synthesized in a binary Cd-Ca system. The thermal stability of the quasicrystal has been investigated by in situ high-temperature x-ray powder diffraction using synchrotron radiation...

The effect of medium structure complexity on the growth of Saccharomyces cerevisiae in gelatin-dextran systems.

Science.gov (United States)

Boons, Kathleen; Noriega, Estefanía; Verherstraeten, Niels; David, Charlotte C; Hofkens, Johan; Van Impe, Jan F

2015-04-16

As most food systems are (semi-)solid, the effect of food structure on bacterial growth has been widely acknowledged. However, studies on the growth dynamics of yeasts have neglected the effect of food structure. In this paper, the growth dynamics of the spoilage yeast Saccharomyces cerevisiae was investigated at 23.5 °C in broth, singular, homogeneous biopolymer systems and binary biopolymer systems with a heterogeneous microstructure. The biopolymers gelatin and dextran were used to introduce the different levels of structure. The metabolizing ability of gelatin and dextran by S. cerevisiae was examined. To study microbial behavior in the binary systems at the micro level, mixtures were imaged with confocal laser scanning microscopy (CLSM). Growth dynamics and microscopic images of S. cerevisiae were compared with those obtained for Escherichia coli in the same model system (Boons et al., 2014). Different phase-separated, heterogeneous microstructures were obtained by changing the amount of added gelatin and dextran. Regardless of the microstructure, S. cerevisiae was preferentially located in the dextran phase. Metabolizing ability-tests indicated that gelatin could be consumed by S. cerevisiae but in the presence of glucose, no change in gelatin concentration was observed. No indication of dextran metabolizing ability was observed. When supplementing broth with gelatin or dextran alone, an enhanced growth rate and maximum cell density were observed. This enhancement was further increased by adding a second biopolymer, introducing a heterogeneous microstructure and hence increasing the medium structure complexity. The results obtained indicate that food structure complexity plays a significant role in the growth dynamics of S. cerevisiae, an important food spoiler. Copyright © 2014. Published by Elsevier B.V.

Study of complex formation between C18H36N2O6 and UO22+ cation in some binary mixed non-aqueous solutions

Directory of Open Access Journals (Sweden)

G.H. Rounaghi

2017-02-01

Full Text Available The complexation reaction between UO22+ cation and the macrobicyclic ligand C18H36N2O6 was studied in acetonitrile–dimethylformamide (AN–DMF, acetonitrile–tetrahydrofuran (AN–THF, acetonitrile–dichloromethane (AN–DCM binary solvent solutions at different temperatures using the coductometric method. In most cases, C18H36N2O6 forms a 1:1 [M:L] complex with the UO22+ cation. But in some of the studied solvent systems, in addition to formation of a 1:1 complex, a 1:2 [M:L2] complex is formed in solution. A non-linear behavior was observed for changes of logKf of the (C18H36N2O6·UO22+ complex versus the composition of the binary mixed solvents. The sequence of the stability of the (C18H36N2O6·UO22+ complex in pure solvent systems at 25 °C decreases in the order: AN > THF > DMF. In the case of binary solvent solutions, the stability constant of the complex at 25 °C was found to be: AN–DCM > AN–THF > AN–DMF. The values of thermodynamic quantities (ΔSc°,ΔHc°, for the formation of the complex were obtained from temperature dependence of the stability constant of the complex using the van't Hoff plots. The results show that in all cases, the complex is both entropy and enthalpy stabilized and both of these parameters are affected by the nature and composition of the mixed solvent systems.

Physical Structure of Four Symbiotic Binaries

Science.gov (United States)

Kenyon, Scott J. (Principal Investigator)

1997-01-01

Disk accretion powers many astronomical objects, including pre-main sequence stars, interacting binary systems, and active galactic nuclei. Unfortunately, models developed to explain the behavior of disks and their surroundings - boundary layers, jets, and winds - lack much predictive power, because the physical mechanism driving disk evolution - the viscosity - is not understood. Observations of many types of accreting systems are needed to constrain the basic physics of disks and provide input for improved models. Symbiotic stars are an attractive laboratory for studying physical phenomena associated with disk accretion. These long period binaries (P(sub orb) approx. 2-3 yr) contain an evolved red giant star, a hot companion, and an ionized nebula. The secondary star usually is a white dwarf accreting material from the wind of its red giant companion. A good example of this type of symbiotic is BF Cygni: our analysis shows that disk accretion powers the nuclear burning shell of the hot white dwarf and also manages to eject material perpendicular to the orbital plane (Mikolajewska, Kenyon, and Mikolajewski 1989). The hot components in other symbiotic binaries appear powered by tidal overflow from a very evolved red giant companion. We recently completed a study of CI Cygni and demonstrated that the accreting secondary is a solar-type main sequence star, rather than a white dwarf (Kenyon et aL 1991). This project continued our study of symbiotic binary systems. Our general plan was to combine archival ultraviolet and optical spectrophotometry with high quality optical radial velocity observations to determine the variation of line and continuum sources as functions of orbital phase. We were very successful in generating orbital solutions and phasing UV+optical spectra for five systems: AG Dra, V443 Her, RW Hya, AG Peg, and AX Per. Summaries of our main results for these systems appear below. A second goal of our project was to consider general models for the

The experimental search for new predicted binary-alloy structures

Science.gov (United States)

Erb, K. C.; Richey, Lauren; Lang, Candace; Campbell, Branton; Hart, Gus

2010-10-01

Predicting new ordered phases in metallic alloys is a productive line of inquiry because configurational ordering in an alloy can dramatically alter their useful material properties. One is able to infer the existence of an ordered phase in an alloy using first-principles calculated formation enthalpies.ootnotetextG. L. W. Hart, ``Where are Nature's missing structures?,'' Nature Materials 6 941-945 2007 Using this approach, we have been able to identify stable (i.e. lowest energy) orderings in a variety of binary metallic alloys. Many of these phases have been observed experimentally in the past, though others have not. In pursuit of several of the missing structures, we have characterized potential orderings in PtCd, PtPd and PtMo alloys using synchrotron x-ray powder diffraction and symmetry-analysis tools.ootnotetextB. J. Campbell, H. T. Stokes, D. E. Tanner, and D. M. Hatch, ``ISODISPLACE: a web-based tool for exploring structural distortions,'' J. Appl. Cryst. 39, 607-614 (2006)

Study of the local structure of binary surfaces by electron diffraction (XPS, LEED)

OpenAIRE

Gereová, Katarína

2006-01-01

Study of local structure of binary surface with usage of ultra-thin film of cerium deposited on a Pd (111) single-crystal surface is presented. X-ray photoelectron spectroscopy and diffraction (XPS, XPD), angle resolved UV photoemission spectroscopy (ARUPS) and low energy electron diffraction (LEED) was used for our investigations. LEED and X-ray excited photoemission intensities results represent a surface-geometrical structure. As well, mapping of ultra-violet photoelectron intensities as a...

Permutation Entropy for Random Binary Sequences

Directory of Open Access Journals (Sweden)

Lingfeng Liu

2015-12-01

Full Text Available In this paper, we generalize the permutation entropy (PE measure to binary sequences, which is based on Shannon’s entropy, and theoretically analyze this measure for random binary sequences. We deduce the theoretical value of PE for random binary sequences, which can be used to measure the randomness of binary sequences. We also reveal the relationship between this PE measure with other randomness measures, such as Shannon’s entropy and Lempel–Ziv complexity. The results show that PE is consistent with these two measures. Furthermore, we use PE as one of the randomness measures to evaluate the randomness of chaotic binary sequences.

Non-binary Hybrid LDPC Codes: Structure, Decoding and Optimization

OpenAIRE

Sassatelli, Lucile; Declercq, David

2007-01-01

In this paper, we propose to study and optimize a very general class of LDPC codes whose variable nodes belong to finite sets with different orders. We named this class of codes Hybrid LDPC codes. Although efficient optimization techniques exist for binary LDPC codes and more recently for non-binary LDPC codes, they both exhibit drawbacks due to different reasons. Our goal is to capitalize on the advantages of both families by building codes with binary (or small finite set order) and non-bin...

3D Modeling of Accretion Disks and Circumbinary Envelopes in Close Binaries

Science.gov (United States)

Bisikalo, D.

2010-12-01

A number of observations prove the complex flow structure in close binary stars. The gas dynamic structure of the flow is governed by the stream of matter from the inner Lagrange point, the accretion disk, the circum-disk halo, and the circumbinary envelope. Observations reflect the current state of a binary system and for their interpretation one should consider the gas dynamics of flow patterns. Three-dimensional numerical gasdynamical modeling is used to study the gaseous flow structure and dynamics in close binaries. It is shown that the periodic variations of the positions of the disk and the bow shock formed when the inner parts of the circumbinary envelope flow around the disk result in variations in both the rate of angular-momentum transfer to the disk and the flow structure near the Lagrange point L3. All these factors lead to periodic ejections of matter from the accretion disk and circum-disk halo into the outer layers of the circumbinary envelope. The results of simulations are used to estimate the physical parameters of the circumbinary envelope, including 3D matter distribution in it, and the matter-flow configuration and dynamics. The envelope becomes optically thick for systems with high mass-exchange rates, M⊙=10-8 Msun/year, and has a significant influence on the binary's observed features. The uneven phase distributions of the matter and density variations due to periodic injections of matter into the envelope are important for interpretations of observations of CBSs.

Study on complex formation of dicyclohexyl-18-crown-6 with Mg2+, Ca2+ and Sr2+ in acetonitrile-water binary mixtures by conductometry

OpenAIRE

Mallika Sanyal

2017-01-01

The complexation reactions between Mg2+, Ca2+ and Sr2+ cations and dicyclohexyl-18-crown-6 (DCH 18C6) have been studied in acetonitrile–water binary mixtures at different temperatures by conductometry. The formation constants of the resulting 1:1 (M:L) complexes for all the three cations were determined from computer fitting of the molar conductance versus mole ratio data. The results show that the selectivity order of DCH 18C6 for the metal cations in the acetonitrile-water binary solvent at...

A cell-based design approach for RSFQ circuits using a binary decision diagram

International Nuclear Information System (INIS)

Yoshikawa, N.; Koshiyama, J.

1999-01-01

We propose a cell-based design approach for rapid single flux quantum (RSFQ) circuits based on a binary decision diagram (BDD). The BDD is a way to represent a logical function using a directed graph which consists of binary switches having one input and two outputs. Since complex logic circuits can be implemented in the form of regular arrays of the BDD binary switches, we can use a cell-based layout methodology for the design of the RSFQ circuits. In this study, we implemented the BDD binary switches by a D 2 flip-flop. In the BDD design approach we made a cell library which contains a binary switch, pulse splitters, confluence buffers and Josephson transmission lines. All cell layouts in the library have identical widths and heights, so that any logic function can be laid out by simple connection of the library cells. As a case study, we implemented a 1-bit RSFQ half-adder and a 3-bit encoder for a flash AD converter. (author)

Close binary stars

International Nuclear Information System (INIS)

Larsson-Leander, G.

1979-01-01

Studies of close binary stars are being persued more vigorously than ever, with about 3000 research papers and notes pertaining to the field being published during the triennium 1976-1978. Many major advances and spectacular discoveries were made, mostly due to increased observational efficiency and precision, especially in the X-ray, radio, and ultraviolet domains. Progress reports are presented in the following areas: observational techniques, methods of analyzing light curves, observational data, physical data, structure and models of close binaries, statistical investigations, and origin and evolution of close binaries. Reports from the Coordinates Programs Committee, the Committee for Extra-Terrestrial Observations and the Working Group on RS CVn binaries are included. (Auth./C.F.)

Activity coefficients of solutes in binary solvents

International Nuclear Information System (INIS)

Gokcen, N.A.

1982-01-01

The activity coefficients in dilute ternary systems are discussed in detail by using the Margules equations. Analyses of some relevant data at high temperatures show that the sparingly dissolved solutes in binary solvents follow complex behavior even when the binary solvents are very nearly ideal. It is shown that the activity data on the solute or the binary system cannot permit computation of the remaining activities except for the regular solutions. It is also shown that a fourth-order equation is usually adequate in expressing the activity coefficient of a solute in binary solvents at high temperatures. When the activity data for a binary solvent are difficult to obtain in a certain range of composition, the activity data for a sparingly dissolved solute can be used to supplement determination of the binary activities

Eclipsing binary stars with a δ Scuti component

Science.gov (United States)

Kahraman Aliçavuş, F.; Soydugan, E.; Smalley, B.; Kubát, J.

2017-09-01

Eclipsing binaries with a δ Sct component are powerful tools to derive the fundamental parameters and probe the internal structure of stars. In this study, spectral analysis of six primary δ Sct components in eclipsing binaries has been performed. Values of Teff, v sin I, and metallicity for the stars have been derived from medium-resolution spectroscopy. Additionally, a revised list of δ Sct stars in eclipsing binaries is presented. In this list, we have only given the δ Sct stars in eclipsing binaries to show the effects of the secondary components and tidal-locking on the pulsations of primary δ Sct components. The stellar pulsation, atmospheric and fundamental parameters (e.g. mass, radius) of 92 δ Sct stars in eclipsing binaries have been gathered. Comparison of the properties of single and eclipsing binary member δ Sct stars has been made. We find that single δ Sct stars pulsate in longer periods and with higher amplitudes than the primary δ Sct components in eclipsing binaries. The v sin I of δ Sct components is found to be significantly lower than that of single δ Sct stars. Relationships between the pulsation periods, amplitudes and stellar parameters in our list have been examined. Significant correlations between the pulsation periods and the orbital periods, Teff, log g, radius, mass ratio, v sin I and the filling factor have been found.

A structurally characterized organometallic plutonium(IV) complex

Energy Technology Data Exchange (ETDEWEB)

Apostolidis, Christos; Walter, Olaf [European Commission, Joint Research Centre, Directorate G - Nuclear Safety and Security, Karlsruhe (Germany); Vogt, Jochen; Liebing, Phil; Edelmann, Frank T. [Chemisches Institut, Otto-von-Guericke-Universitaet Magdeburg (Germany); Maron, Laurent [Laboratoire de Physique et Chimie des Nanoobjets (LPCNO), Universite de Toulouse/INSA/CNRS (UMR5215), Toulouse (France)

2017-04-24

The blood-red plutonocene complex Pu(1,3-COT'')(1,4-COT'') (4; COT''=η{sup 8}-bis(trimethylsilyl)cyclooctatetraenyl) has been synthesized by oxidation of the anionic sandwich complex Li[Pu(1,4-COT''){sub 2}] (3) with anhydrous cobalt(II) chloride. The first crystal structure determination of an organoplutonium(IV) complex revealed an asymmetric sandwich structure for 4 where one COT'' ring is 1,3-substituted while the other retains the original 1,4-substitution pattern. The electronic structure of 4 has been elucidated by a computational study, revealing a probable cause for the unexpected silyl group migration. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Calculating excess volumes of binary solutions with allowance for structural differences between mixed components

Science.gov (United States)

Balankina, E. S.

2016-06-01

Analytical dependences of a volume's properties on the differences between the geometric structures of initial monosystems are obtained for binary systems simulated by a grain medium. The effect of microstructural parameter k (the ratio of volumes of molecules of mixed components) on the concentration behavior of the relative excess molar volume of different types of real binary solutions is analyzed. It is established that the contribution due to differences between the volumes of molecules and coefficients of the packing density of mixed components is ~80-100% for mutual solutions of n-alkanes and ~55-80% of the experimental value of the relative excess molar volume for water solutions of n-alcohols.

Logistic chaotic maps for binary numbers generations

International Nuclear Information System (INIS)

Kanso, Ali; Smaoui, Nejib

2009-01-01

Two pseudorandom binary sequence generators, based on logistic chaotic maps intended for stream cipher applications, are proposed. The first is based on a single one-dimensional logistic map which exhibits random, noise-like properties at given certain parameter values, and the second is based on a combination of two logistic maps. The encryption step proposed in both algorithms consists of a simple bitwise XOR operation of the plaintext binary sequence with the keystream binary sequence to produce the ciphertext binary sequence. A threshold function is applied to convert the floating-point iterates into binary form. Experimental results show that the produced sequences possess high linear complexity and very good statistical properties. The systems are put forward for security evaluation by the cryptographic committees.

A coinductive calculus of binary trees

NARCIS (Netherlands)

A.M. Silva (Alexandra); J.J.M.M. Rutten (Jan)

2007-01-01

htmlabstractWe study the set T_A of infinite binary trees with nodes labelled in a semiring A from a coalgebraic perspective. We present coinductive definition and proof principles based on the fact that T_A carries a final coalgebra structure. By viewing trees as formal power series, we develop a

Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : Ab initio study

NARCIS (Netherlands)

Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.

2014-01-01

In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure

STRUCTURE AND EVOLUTION OF CIRCUMBINARY DISKS AROUND SUPERMASSIVE BLACK HOLE BINARIES

International Nuclear Information System (INIS)

Rafikov, Roman R.

2013-01-01

We explore properties of circumbinary disks around supermassive black hole (SMBH) binaries in centers of galaxies by reformulating standard viscous disk evolution in terms of the viscous angular momentum flux F J . If the binary stops gas inflow and opens a cavity in the disk, then the inner disk evolves toward a constant-F J (rather than a constant M-dot ) state. We compute disk properties in different physical regimes relevant for SMBH binaries, focusing on the gas-assisted evolution of systems starting at separations 10 –4 – 10 –2 pc, and find the following. (1) Mass pileup at the inner disk edge caused by the tidal barrier accelerates binary inspiral. (2) Binaries can be forced to merge even by a disk with a mass below that of the secondary. (3) Torque on the binary is set non-locally, at radii far larger than the binary semi-major axis; its magnitude does not reflect disk properties in the vicinity of the binary. (4) Binary inspiral exhibits hysteresis—it depends on the past evolution of the disk. (5) The Eddington limit can be important for circumbinary disks even if they accrete at sub-Eddington rates, but only at late stages of the inspiral. (6) Gas overflow across the orbit of the secondary can be important for low secondary mass, high- M-dot systems, but mainly during the inspiral phase dominated by the gravitational wave emission. (7) Circumbinary disks emit more power and have harder spectra than constant M-dot disks; their spectra are very sensitive to the amount of overflow across the secondary orbit

Generation of binary holograms for deep scenes captured with a camera and a depth sensor

Science.gov (United States)

Leportier, Thibault; Park, Min-Chul

2017-01-01

This work presents binary hologram generation from images of a real object acquired from a Kinect sensor. Since hologram calculation from a point-cloud or polygon model presents a heavy computational burden, we adopted a depth-layer approach to generate the holograms. This method enables us to obtain holographic data of large scenes quickly. Our investigations focus on the performance of different methods, iterative and noniterative, to convert complex holograms into binary format. Comparisons were performed to examine the reconstruction of the binary holograms at different depths. We also propose to modify the direct binary search algorithm to take into account several reference image planes. Then, deep scenes featuring multiple planes of interest can be reconstructed with better efficiency.

Solution equilibrium of metal ions-binary complexes with 3-(2-ethylamino-1-hydroxyethyl] phenol (Effortil

Directory of Open Access Journals (Sweden)

Mohamed Magdy Khalil

2016-11-01

Full Text Available Formation of binary complexes of Al(III, Cr(III, Fe(III, Th(IV, UO2(II, Ce(III, La(III, and Gd(III with 3-(2-ethylamino-1-hydroxyethyl] phenol (Effortil were studied potentiometrically at 37.0 °C and I = 0.16 mol dm−3 NaNO3 in aqueous solution. The acid–base properties of Effortil were investigated and discussed. The order of stability of the complexes was investigated and is discussed in terms of the metal ion. The experimental pH titration data were analyzed in order to evaluate the formation constants of various intermediate species formed. The concentration distribution of various species formed in solution was evaluated.

Cache-Oblivious Search Trees via Binary Trees of Small Height

DEFF Research Database (Denmark)

Brodal, G.S.; Fagerberg, R.; Jacob, R.

2002-01-01

We propose a version of cache oblivious search trees which is simpler than the previous proposal of Bender, Demaine and Farach-Colton and has the same complexity bounds. In particular, our data structure avoids the use of weight balanced B-trees, and can be implemented as just a single array......, and range queries in worst case O(logB n + k/B) memory transfers, where k is the size of the output.The basic idea of our data structure is to maintain a dynamic binary tree of height log n+O(1) using existing methods, embed this tree in a static binary tree, which in turn is embedded in an array in a cache...... oblivious fashion, using the van Emde Boas layout of Prokop.We also investigate the practicality of cache obliviousness in the area of search trees, by providing an empirical comparison of different methods for laying out a search tree in memory....

Structural transformations of sVI tert-butylamine hydrates to sII binary hydrates with methane.

Science.gov (United States)

Prasad, Pinnelli S R; Sugahara, Takeshi; Sloan, E Dendy; Sum, Amadeu K; Koh, Carolyn A

2009-10-22

Binary clathrate hydrates with methane (CH(4), 4.36 A) and tert-butylamine (t-BuNH(2), 6.72 A) as guest molecules were synthesized at different molar concentrations of t-BuNH(2) (1.00-9.31 mol %) with methane at 7.0 MPa and 250 K, and were characterized by powder X-ray diffraction (PXRD) and Raman microscopy. A structural transformation from sVI to sII of t-BuNH(2) hydrate was clearly observed on pressurizing with methane. The PXRD showed sII signatures and the remnant sVI signatures were insignificant, implying the metastable nature of sVI binary hydrates. Raman spectroscopic data on these binary hydrates suggest that the methane molecules occupy the small cages and vacant large cages. The methane storage capacity in this system was nearly doubled to approximately 6.86 wt % for 5.56 mol % > t-BuNH(2) > 1.0 mol %.

Heterogeneous structure and solvation dynamics of DME/water binary mixtures: A combined spectroscopic and simulation investigation

Science.gov (United States)

Das Mahanta, Debasish; Rana, Debkumar; Patra, Animesh; Mukherjee, Biswaroop; Mitra, Rajib Kumar

2018-05-01

Water is often found in (micro)-heterogeneous environments and therefore it is necessary to understand their H-bonded network structure in such altered environments. We explore the structure and dynamics of water in its binary mixture with relatively less polar small biocompatible amphiphilic molecule 1,2-Dimethoxyethane (DME) by a combined spectroscopic and molecular dynamics (MD) simulation study. Picosecond (ps) resolved fluorescence spectroscopy using coumarin 500 as the fluorophore establishes a non-monotonic behaviour of the mixture. Simulation studies also explore the various possible H-bond formations between water and DME. The relative abundance of such different water species manifests the heterogeneity in the mixture.

Nonlinear control of a multicomponent distillation process coupled with a binary distillation model as an EKF predictor.

Science.gov (United States)

Jana, Amiya Kumar; Ganguly, Saibal; Samanta, Amar Nath

2006-10-01

The work is devoted to design the globally linearizing control (GLC) strategy for a multicomponent distillation process. The control system is comprised with a nonlinear transformer, a nonlinear closed-loop state estimator [extended Kalman filter (EKF)], and a linear external controller [conventional proportional integral (PI) controller]. The model of a binary distillation column has been used as a state predictor to avoid huge design complexity of the EKF estimator. The binary components are the light key and the heavy key of the multicomponent system. The proposed GLC-EKF (GLC in conjunction with EKF) control algorithm has been compared with the GLC-ROOLE [GLC coupled with reduced-order open-loop estimator (ROOLE)] and the dual-loop PI controller based on set point tracking and disturbance rejection performance. Despite huge process/predictor mismatch, the superiority of the GLC-EKF has been inspected over the GLC-ROOLE control structure.

Testing the Binary Black Hole Nature of a Compact Binary Coalescence.

Science.gov (United States)

Krishnendu, N V; Arun, K G; Mishra, Chandra Kant

2017-09-01

We propose a novel method to test the binary black hole nature of compact binaries detectable by gravitational wave (GW) interferometers and, hence, constrain the parameter space of other exotic compact objects. The spirit of the test lies in the "no-hair" conjecture for black holes where all properties of a Kerr black hole are characterized by its mass and spin. The method relies on observationally measuring the quadrupole moments of the compact binary constituents induced due to their spins. If the compact object is a Kerr black hole (BH), its quadrupole moment is expressible solely in terms of its mass and spin. Otherwise, the quadrupole moment can depend on additional parameters (such as the equation of state of the object). The higher order spin effects in phase and amplitude of a gravitational waveform, which explicitly contains the spin-induced quadrupole moments of compact objects, hence, uniquely encode the nature of the compact binary. Thus, we argue that an independent measurement of the spin-induced quadrupole moment of the compact binaries from GW observations can provide a unique way to distinguish binary BH systems from binaries consisting of exotic compact objects.

Solving a binary puzzle

NARCIS (Netherlands)

Utomo, P.H.; Makarim, R.H.

2017-01-01

A Binary puzzle is a Sudoku-like puzzle with values in each cell taken from the set {0,1} {0,1}. Let n≥4 be an even integer, a solved binary puzzle is an n×n binary array that satisfies the following conditions: (1) no three consecutive ones and no three consecutive zeros in each row and each

Near-Infrared Polarimetry of the GG Tauri A Binary System

Science.gov (United States)

Itoh, Yoichi; Oasa, Yumiko; Kudo, Tomoyuki; Kusakabe, Nobuhiko; Hashimoto, Jun; Abe, Lyu; Brandner, Wolfgang; Brandt, Timothy D.; Carson, Joseph C.; Egner, Sebastian;

Min-Max decoding for non binary LDPC codes

OpenAIRE

Savin, Valentin

2008-01-01

Iterative decoding of non-binary LDPC codes is currently performed using either the Sum-Product or the Min-Sum algorithms or slightly different versions of them. In this paper, several low-complexity quasi-optimal iterative algorithms are proposed for decoding non-binary codes. The Min-Max algorithm is one of them and it has the benefit of two possible LLR domain implementations: a standard implementation, whose complexity scales as the square of the Galois field's cardinality and a reduced c...

Accretion of clumpy cold gas onto massive black hole binaries: the challenging formation of extended circumbinary structures

Science.gov (United States)

Maureira-Fredes, Cristián; Goicovic, Felipe G.; Amaro-Seoane, Pau; Sesana, Alberto

2018-05-01

Massive black hole binaries (MBHBs) represent an unavoidable outcome of hierarchical galaxy formation, but their dynamical evolution at sub-parsec scales is poorly understood. In gas rich environments, an extended, steady circumbinary gaseous disc could play an important role in the MBHB evolution, facilitating its coalescence. However, how gas on galactic scales is transported to the nuclear region to form and maintain such a stable structure is unclear. In the aftermath of a galaxy merger, cold turbulent gas condenses into clumps and filaments that can be randomly scattered towards the nucleus. This provides a natural way of feeding the binary with intermittent pockets of gas. The aim of this work is to investigate the gaseous structures arising from this interaction. We employ a suite of smoothed-particle-hydrodynamic simulations to study the influence of the infall rate and angular momentum distribution of the incoming clouds on the formation and evolution of structures around the MBHB. We find that the continuous supply of discrete clouds is a double-edge sword, resulting in intermittent formation and disruption of circumbinary structures. Anisotropic cloud distributions featuring an excess of co-rotating events generate more prominent co-rotating circumbinary discs. Similar structures are seen when mostly counter-rotating clouds are fed to the binary, even though they are more compact and less stable. In general, our simulations do not show the formation of extended smooth and stable circumbinary discs, typically assumed in analytical and numerical investigations of the the long term evolution of MBHBs.

The structure of complex Lie groups

CERN Document Server

Lee, Dong Hoon

2001-01-01

Complex Lie groups have often been used as auxiliaries in the study of real Lie groups in areas such as differential geometry and representation theory. To date, however, no book has fully explored and developed their structural aspects.The Structure of Complex Lie Groups addresses this need. Self-contained, it begins with general concepts introduced via an almost complex structure on a real Lie group. It then moves to the theory of representative functions of Lie groups- used as a primary tool in subsequent chapters-and discusses the extension problem of representations that is essential for studying the structure of complex Lie groups. This is followed by a discourse on complex analytic groups that carry the structure of affine algebraic groups compatible with their analytic group structure. The author then uses the results of his earlier discussions to determine the observability of subgroups of complex Lie groups.The differences between complex algebraic groups and complex Lie groups are sometimes subtle ...

Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline–3-hydroxy-4-methoxybenzaldehyde

International Nuclear Information System (INIS)

Sharma, K.P.; Reddi, R.S.B.; Bhattacharya, S.; Rai, R.N.

2012-01-01

The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV–Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. - Graphical abstarct: Exploiting phase diagram study and solvent free synthesis a novel compound was synthesized and its single crystal growth, atomic packing, energy band gap and refractive index were studied. Highlights: ► Novel organic complex was synthesized using Green or solvent free synthesis. ► Phase diagram study provided the information to identify the worthy composition of novel complex. ► The single crystal of the sufficient size was grown from the ethanol solution. ► Crystal analysis suggested that the covalent bond is formed between the two parent compounds. ► The transmittance of the crystal was found to be 70% and it was transparent from 412 to 850 nm.

Global symplectic structure-preserving integrators for spinning compact binaries

Science.gov (United States)

Zhong, Shuang-Ying; Wu, Xin; Liu, San-Qiu; Deng, Xin-Fa

2010-12-01

This paper deals mainly with the application of the second-order symplectic implicit midpoint rule and its symmetric compositions to a post-Newtonian Hamiltonian formulation with canonical spin variables in relativistic compact binaries. The midpoint rule, as a basic algorithm, is directly used to integrate the completely canonical Hamiltonian system. On the other hand, there are symmetric composite methods based on a splitting of the Hamiltonian into two parts: the Newtonian part associated with a Kepler motion, and a perturbation part involving the orbital post-Newtonian and spin contributions, where the Kepler flow has an analytic solution and the perturbation can be calculated by the midpoint rule. An example is the second-order mixed leapfrog symplectic integrator with one stage integration of the perturbation flow and two semistage computations of the Kepler flow at every integration step. Also, higher-order composite methods such as the Forest-Ruth fourth-order symplectic integrator and its optimized algorithm are applicable. Various numerical tests including simulations of chaotic orbits show that the mixed leapfrog integrator is always superior to the midpoint rule in energy accuracy, while both of them are almost equivalent in computational efficiency. Particularly, the optimized fourth-order algorithm compared with the mixed leapfrog scheme provides good precision and needs no expensive additional computational time. As a result, it is worth performing a more detailed and careful examination of the dynamical structure of chaos and order in the parameter windows and phase space of the binary system.

Structural-energetic interpretation of competition between complex forms in the UBr3-MBr systems

International Nuclear Information System (INIS)

Suglobova, I.G.; Chirkst, D.Eh.

1978-01-01

The calorimetric method has been used for determining standard enthalpy values of the formation of bromouranates of alkali metals (M 2 UBr 5 ) and for checking the enthalpy value of the uranium tribromide formation. ΔH 0 of UBr 3 formation is -182.2+-0.5 kcal/mol. Enthalpies of the formation of pentabromouranates from binary bromides (and from simple substances) are: -6.6(-384.3) for K 2 VBr 5 , -9.7(-390.9) for Rb 2 VBr 5 , -10.21(-395.0) kcal/mol for Cs 2 VBr 5 . The error is +-0.5(+-10) kcal/mol. For Cs 3 VBr 6 the enthalpy of the formation is -10+-2 (-496+-3) kcal/mol. The M 2 VBr 5 compounds have rhombic lattices of the Tl 2 AlF 5 type. Sizes of elementary cells and uranium-alkali metal distances in polycrystals of the complexes have been determined on the base of X-ray diffraction patterns. Obtained picnometric densities of 4.51 (M=K), 4.79 (M=Rb), and 4.86+-0.01 g/cm 3 (M=Cs) agree with calculated values. The energy of the V(3)-Br bond is 53+-2 kcal/mol when the uranium coordination number equals 6. A new method has been proposed for evaluating the energy of the crystal lattice of the complexes by interionic distance with the aid of linear extrapolation of expeimental data for binary compounds in logarythmic coordinates. The relationship has been shown between the values and the nature of outer-spherical energetic effects and crystal structure of the complexes

Trans*versing the DMZ: A Non-Binary Autoethnographic Exploration of Gender and Masculinity

Science.gov (United States)

Stewart, Dafina-Lazarus

2017-01-01

Using an abductive, critical-poststructuralist autoethnographic approach, I consider the ways in which masculine of centre, non-binary/genderqueer trans* identities transverse the poles of socializing binary gender systems, structures, and norms which inform higher education. In this paper, I assert that non-binary genderqueer identities are…

Main Memory Implementations for Binary Grouping

OpenAIRE

May, Norman; Moerkotte, Guido

2005-01-01

An increasing number of applications depend on efficient storage and analysis features for XML data. Hence, query optimization and efficient evaluation techniques for the emerging XQuery standard become more and more important. Many XQuery queries require nested expressions. Unnesting them often introduces binary grouping. We introduce several algorithms implementing binary grouping and analyze their time and space complexity. Experiments demonstrate their performance.

Non-equilibrium phase transitions in complex plasma

International Nuclear Information System (INIS)

Suetterlin, K R; Raeth, C; Ivlev, A V; Thomas, H M; Khrapak, S; Zhdanov, S; Rubin-Zuzic, M; Morfill, G E; Wysocki, A; Loewen, H; Goedheer, W J; Fortov, V E; Lipaev, A M; Molotkov, V I; Petrov, O F

2010-01-01

Complex plasma being the 'plasma state of soft matter' is especially suitable for investigations of non-equilibrium phase transitions. Non-equilibrium phase transitions can manifest in dissipative structures or self-organization. Two specific examples are lane formation and phase separation. Using the permanent microgravity laboratory PK-3 Plus, operating onboard the International Space Station, we performed unique experiments with binary mixtures of complex plasmas that showed both lane formation and phase separation. These observations have been augmented by comprehensive numerical and theoretical studies. In this paper we present an overview of our most important results. In addition we put our results in context with research of complex plasmas, binary systems and non-equilibrium phase transitions. Necessary and promising future complex plasma experiments on phase separation and lane formation are briefly discussed.

α-Cyclodextrin – Water binary system. New data on dehydration of α-cyclodextrin hexahydrate

International Nuclear Information System (INIS)

Manakov, Andrey Yu.; Rodionova, Tatyana V.; Aladko, Lyudmila S.; Villevald, Galina V.; Lipkowski, Janusz S.; Zelenina, Lyudmila N.; Chusova, Tamara P.; Karpova, Tamara D.

2016-01-01

Highlights: • The T, x– phase diagram of α-CD – water binary system was studied by DTA and DSC. • PXRD was used to follow structural transformation of α-CD hydrates. • α-CD·6.1H 2 O transforms into α-CD·5.3H 2 O at the temperature ∼355 K in isochoric conditions. • The solid solution on the base of α-CD·6H 2 O Form I is formed within the limits of α-CD·6.1H 2 O – α-CD·2.1H 2 O. - Abstract: Cyclodextrins (CDs) are torous-like macrocycles composed of glucopyranose units. Due to their shapes, they are capable to include a wide variety of organic and inorganic guest molecules with formation of inclusion complexes in solid and liquid state. CDs crystallize from aqueous solution as hydrates (water molecules are located in the cavities and fill intermolecular space). The process of inclusion complex formation is, in fact, a replacement reaction of water molecules by hydrophobic guest molecules. Given the important role of water in the formation of CDs inclusion complexes, and the fact that the main commercial forms of cyclodextrins are the hydrated ones, the study of temperature (T) – composition (x) phase diagram of cyclodextrin – water binary system is of scientific and practical interest. This article reports an experimental study of the T, x – phase diagram of α-cyclodextrin – water binary system under isochoric conditions by differential thermal analysis (DTA) and differential scanning calorimetry (DSC). Powder X-ray diffraction was used to identify the structures of different α-CD hydrates and to follow their phase transformations. It was shown that dehydration processes in isochoric and isobaric (open air) conditions differ significantly. In the temperature range of approximately 351 K–359 K the α-CD hexahydrate of known Form I structure transforms into the α-CD·5.3H 2 O of unknown structural type. It is found that the solid solution on the base of the structure α-CD hexahydrate Form I is formed within the limits of �

Binary black holes on a budget: simulations using workstations

International Nuclear Information System (INIS)

Marronetti, Pedro; Tichy, Wolfgang; Bruegmann, Bernd; Gonzalez, Jose; Hannam, Mark; Husa, Sascha; Sperhake, Ulrich

2007-01-01

Binary black hole simulations have traditionally been computationally very expensive: current simulations are performed in supercomputers involving dozens if not hundreds of processors, thus systematic studies of the parameter space of binary black hole encounters still seem prohibitive with current technology. Here we show how the multi-layered refinement level code BAM can be used on dual processor workstations to simulate certain binary black hole systems. BAM, based on the moving punctures method, provides grid structures composed of boxes of increasing resolution near the centre of the grid. In the case of binaries, the highest resolution boxes are placed around each black hole and they track them in their orbits until the final merger when a single set of levels surrounds the black hole remnant. This is particularly useful when simulating spinning black holes since the gravitational fields gradients are larger. We present simulations of binaries with equal mass black holes with spins parallel to the binary axis and intrinsic magnitude of S/m 2 = 0.75. Our results compare favourably to those of previous simulations of this particular system. We show that the moving punctures method produces stable simulations at maximum spatial resolutions up to M/160 and for durations of up to the equivalent of 20 orbital periods

Complex DNA structures and structures of DNA complexes

International Nuclear Information System (INIS)

Chazin, W.J.; Carlstroem, G.; Shiow-Meei Chen; Miick, S.; Gomez-Paloma, L.; Smith, J.; Rydzewski, J.

1994-01-01

Complex DNA structures (for example, triplexes, quadruplexes, junctions) and DNA-ligand complexes are more difficult to study by NMR than standard DNA duplexes are because they have high molecular weights, show nonstandard or distorted local conformations, and exhibit large resonance linewidths and severe 1 H spectral overlap. These systems also tend to have limited solubility and may require specialized solution conditions to maintain favorable spectral characteristics, which adds to the spectroscopic difficulties. Furthermore, with more atoms in the system, both assignment and structure calculation become more challenging. In this article, we focus on demonstrating the current status of NMR studies of such systems and the limitations to further progress; we also indicate in what ways isotopic enrichment can be useful

Complex DNA structures and structures of DNA complexes

Energy Technology Data Exchange (ETDEWEB)

Chazin, W.J.; Carlstroem, G.; Shiow-Meei Chen; Miick, S.; Gomez-Paloma, L.; Smith, J.; Rydzewski, J. [Scripps Research Institute, La Jolla, CA (United States)

1994-12-01

Complex DNA structures (for example, triplexes, quadruplexes, junctions) and DNA-ligand complexes are more difficult to study by NMR than standard DNA duplexes are because they have high molecular weights, show nonstandard or distorted local conformations, and exhibit large resonance linewidths and severe {sup 1}H spectral overlap. These systems also tend to have limited solubility and may require specialized solution conditions to maintain favorable spectral characteristics, which adds to the spectroscopic difficulties. Furthermore, with more atoms in the system, both assignment and structure calculation become more challenging. In this article, we focus on demonstrating the current status of NMR studies of such systems and the limitations to further progress; we also indicate in what ways isotopic enrichment can be useful.

Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline-3-hydroxy-4-methoxybenzaldehyde

Energy Technology Data Exchange (ETDEWEB)

Sharma, K.P.; Reddi, R.S.B.; Bhattacharya, S. [Department of Chemistry, Centre of Advance Study, Banaras Hindu University, Varanasi-221005 (India); Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advance Study, Banaras Hindu University, Varanasi-221005 (India)

2012-06-15

The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV-Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. - Graphical abstarct: Exploiting phase diagram study and solvent free synthesis a novel compound was synthesized and its single crystal growth, atomic packing, energy band gap and refractive index were studied. Highlights: Black-Right-Pointing-Pointer Novel organic complex was synthesized using Green or solvent free synthesis. Black-Right-Pointing-Pointer Phase diagram study provided the information to identify the worthy composition of novel complex. Black-Right-Pointing-Pointer The single crystal of the sufficient size was grown from the ethanol solution. Black-Right-Pointing-Pointer Crystal analysis suggested that the covalent bond is formed between the two parent compounds. Black-Right-Pointing-Pointer The transmittance of the crystal was found to be 70% and it was transparent from 412 to 850 nm.

Non-Binary Protograph-Based LDPC Codes: Analysis,Enumerators and Designs

OpenAIRE

Sun, Yizeng

2013-01-01

Non-binary LDPC codes can outperform binary LDPC codes using sum-product algorithm with higher computation complexity. Non-binary LDPC codes based on protographs have the advantage of simple hardware architecture. In the first part of this thesis, we will use EXIT chart analysis to compute the thresholds of different protographs over GF(q). Based on threshold computation, some non-binary protograph-based LDPC codes are designed and their frame error rates are compared with binary LDPC codes. ...

The mathematics of xenology: di-cographs, symbolic ultrametrics, 2-structures and tree-representable systems of binary relations.

Science.gov (United States)

Hellmuth, Marc; Stadler, Peter F; Wieseke, Nicolas

2017-07-01

The concepts of orthology, paralogy, and xenology play a key role in molecular evolution. Orthology and paralogy distinguish whether a pair of genes originated by speciation or duplication. The corresponding binary relations on a set of genes form complementary cographs. Allowing more than two types of ancestral event types leads to symmetric symbolic ultrametrics. Horizontal gene transfer, which leads to xenologous gene pairs, however, is inherent asymmetric since one offspring copy "jumps" into another genome, while the other continues to be inherited vertically. We therefore explore here the mathematical structure of the non-symmetric generalization of symbolic ultrametrics. Our main results tie non-symmetric ultrametrics together with di-cographs (the directed generalization of cographs), so-called uniformly non-prime ([Formula: see text]) 2-structures, and hierarchical structures on the set of strong modules. This yields a characterization of relation structures that can be explained in terms of trees and types of ancestral events. This framework accommodates a horizontal-transfer relation in terms of an ancestral event and thus, is slightly different from the the most commonly used definition of xenology. As a first step towards a practical use, we present a simple polynomial-time recognition algorithm of [Formula: see text] 2-structures and investigate the computational complexity of several types of editing problems for [Formula: see text] 2-structures. We show, finally that these NP-complete problems can be solved exactly as Integer Linear Programs.

Synthesis of Binary Magnesium-Transition Metal Oxides via Inverse Coprecipitation

Science.gov (United States)

Yagi, Shunsuke; Ichikawa, Yuya; Yamada, Ikuya; Doi, Takayuki; Ichitsubo, Tetsu; Matsubara, Eiichiro

2013-02-01

Synthesis of binary magnesium-transition metal oxides, MgM2O4 (M: Cr, Mn, Fe, Co) and MgNiO2, was performed by calcination at relatively low temperatures of 500 and 750 °C for 24 h through inverse coprecipitation of carbonate hydroxide precursors. The important roles of the precipitation agent, sodium carbonate, were clarified by considering equilibria in an aqueous solution. The structure parameters of the obtained binary magnesium-transition metal oxide powders, specifically the occupancy of atomic sites, were evaluated from synchrotron X-ray diffraction (XRD) profiles by Rietveld refinement in addition to the magnetic properties at room temperature. The present work provides general guidelines for low-cost and high-volume synthesis of complex oxides, which are easily decomposed at high temperatures.

Erratum: Spiral structure in the accretion disc of the binary IP Pegasi

Science.gov (United States)

Steeghs, D.; Harlaftis, E. T.; Horne, Keith

1998-05-01

The paper `Spiral structure in the accretion disc of the binary IP Pegasi' was published in Mon. Not. R. Astron. Soc. 290, L28-L32 (1997). Figs 1 and 2 of the paper (grey-scale images) did not reproduce well, and are reprinted here (Fig. 1 overleaf). Colour versions of the images are available on the World Wide Web:http://www-star.st-and.ac.uk/^~ds10/spirals.html

Coevolution of Binaries and Circumbinary Gaseous Disks

Science.gov (United States)

Fleming, David; Quinn, Thomas R.

2018-04-01

The recent discoveries of circumbinary planets by Kepler raise questions for contemporary planet formation models. Understanding how these planets form requires characterizing their formation environment, the circumbinary protoplanetary disk, and how the disk and binary interact. The central binary excites resonances in the surrounding protoplanetary disk that drive evolution in both the binary orbital elements and in the disk. To probe how these interactions impact both binary eccentricity and disk structure evolution, we ran N-body smooth particle hydrodynamics (SPH) simulations of gaseous protoplanetary disks surrounding binaries based on Kepler 38 for 10^4 binary orbital periods for several initial binary eccentricities. We find that nearly circular binaries weakly couple to the disk via a parametric instability and excite disk eccentricity growth. Eccentric binaries strongly couple to the disk causing eccentricity growth for both the disk and binary. Disks around sufficiently eccentric binaries strongly couple to the disk and develop an m = 1 spiral wave launched from the 1:3 eccentric outer Lindblad resonance (EOLR). This wave corresponds to an alignment of gas particle longitude of periastrons. We find that in all simulations, the binary semi-major axis decays due to dissipation from the viscous disk.

A measurement of disorder in binary sequences

Science.gov (United States)

Gong, Longyan; Wang, Haihong; Cheng, Weiwen; Zhao, Shengmei

2015-03-01

We propose a complex quantity, AL, to characterize the degree of disorder of L-length binary symbolic sequences. As examples, we respectively apply it to typical random and deterministic sequences. One kind of random sequences is generated from a periodic binary sequence and the other is generated from the logistic map. The deterministic sequences are the Fibonacci and Thue-Morse sequences. In these analyzed sequences, we find that the modulus of AL, denoted by |AL | , is a (statistically) equivalent quantity to the Boltzmann entropy, the metric entropy, the conditional block entropy and/or other quantities, so it is a useful quantitative measure of disorder. It can be as a fruitful index to discern which sequence is more disordered. Moreover, there is one and only one value of |AL | for the overall disorder characteristics. It needs extremely low computational costs. It can be easily experimentally realized. From all these mentioned, we believe that the proposed measure of disorder is a valuable complement to existing ones in symbolic sequences.

Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

International Nuclear Information System (INIS)

Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.

2011-01-01

High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As x Se 100−x , As x S 100−x , Ge x Se 100−x and Ge x S 100−x chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

Energy Technology Data Exchange (ETDEWEB)

Kozyukhin, S., E-mail: sergkoz@igic.ras.ru [Russian Academy of Science, Institute of General and Inorganic Chemistry (Russian Federation); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Kovalskiy, A. [Lehigh University, Department of Materials Science and Engineering (United States); Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Jain, H. [Lehigh University, Department of Materials Science and Engineering (United States)

2011-04-15

High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

A Novel Fast and Robust Binary Affine Invariant Descriptor for Image Matching

Directory of Open Access Journals (Sweden)

Xiujie Qu

2014-01-01

Full Text Available As the current binary descriptors have disadvantages of high computational complexity, no affine invariance, and the high false matching rate with viewpoint changes, a new binary affine invariant descriptor, called BAND, is proposed. Different from other descriptors, BAND has an irregular pattern, which is based on local affine invariant region surrounding a feature point, and it has five orientations, which are obtained by LBP effectively. Ultimately, a 256 bits binary string is computed by simple random sampling pattern. Experimental results demonstrate that BAND has a good matching result in the conditions of rotating, image zooming, noising, lighting, and small-scale perspective transformation. It has better matching performance compared with current mainstream descriptors, while it costs less time.

Division in a Binary Representation for Complex Numbers

Science.gov (United States)

Blest, David C.; Jamil, Tariq

2003-01-01

Computer operations involving complex numbers, essential in such applications as Fourier transforms or image processing, are normally performed in a "divide-and-conquer" approach dealing separately with real and imaginary parts. A number of proposals have treated complex numbers as a single unit but all have foundered on the problem of the…

The True Ultracool Binary Fraction Using Spectral Binaries

Science.gov (United States)

Bardalez Gagliuffi, Daniella; Burgasser, Adam J.; Schmidt, Sarah J.; Gagné, Jonathan; Faherty, Jacqueline K.; Cruz, Kelle; Gelino, Chris

2018-01-01

Brown dwarfs bridge the gap between stars and giant planets. While the essential mechanisms governing their formation are not well constrained, binary statistics are a direct outcome of the formation process, and thus provide a means to test formation theories. Observational constraints on the brown dwarf binary fraction place it at 10 ‑ 20%, dominated by imaging studies (85% of systems) with the most common separation at 4 AU. This coincides with the resolution limit of state-of-the-art imaging techniques, suggesting that the binary fraction is underestimated. We have developed a separation-independent method to identify and characterize tightly-separated (dwarfs as spectral binaries by identifying traces of methane in the spectra of late-M and early-L dwarfs. Imaging follow-up of 17 spectral binaries yielded 3 (18%) resolved systems, corroborating the observed binary fraction, but 5 (29%) known binaries were missed, reinforcing the hypothesis that the short-separation systems are undercounted. In order to find the true binary fraction of brown dwarfs, we have compiled a volume-limited, spectroscopic sample of M7-L5 dwarfs and searched for T dwarf companions. In the 25 pc volume, 4 candidates were found, three of which are already confirmed, leading to a spectral binary fraction of 0.95 ± 0.50%, albeit for a specific combination of spectral types. To extract the true binary fraction and determine the biases of the spectral binary method, we have produced a binary population simulation based on different assumptions of the mass function, age distribution, evolutionary models and mass ratio distribution. Applying the correction fraction resulting from this method to the observed spectral binary fraction yields a true binary fraction of 27 ± 4%, which is roughly within 1σ of the binary fraction obtained from high resolution imaging studies, radial velocity and astrometric monitoring. This method can be extended to identify giant planet companions to young brown

Integrative structure and functional anatomy of a nuclear pore complex

Science.gov (United States)

Kim, Seung Joong; Fernandez-Martinez, Javier; Nudelman, Ilona; Shi, Yi; Zhang, Wenzhu; Raveh, Barak; Herricks, Thurston; Slaughter, Brian D.; Hogan, Joanna A.; Upla, Paula; Chemmama, Ilan E.; Pellarin, Riccardo; Echeverria, Ignacia; Shivaraju, Manjunatha; Chaudhury, Azraa S.; Wang, Junjie; Williams, Rosemary; Unruh, Jay R.; Greenberg, Charles H.; Jacobs, Erica Y.; Yu, Zhiheng; de La Cruz, M. Jason; Mironska, Roxana; Stokes, David L.; Aitchison, John D.; Jarrold, Martin F.; Gerton, Jennifer L.; Ludtke, Steven J.; Akey, Christopher W.; Chait, Brian T.; Sali, Andrej; Rout, Michael P.

2018-03-01

Nuclear pore complexes play central roles as gatekeepers of RNA and protein transport between the cytoplasm and nucleoplasm. However, their large size and dynamic nature have impeded a full structural and functional elucidation. Here we determined the structure of the entire 552-protein nuclear pore complex of the yeast Saccharomyces cerevisiae at sub-nanometre precision by satisfying a wide range of data relating to the molecular arrangement of its constituents. The nuclear pore complex incorporates sturdy diagonal columns and connector cables attached to these columns, imbuing the structure with strength and flexibility. These cables also tie together all other elements of the nuclear pore complex, including membrane-interacting regions, outer rings and RNA-processing platforms. Inwardly directed anchors create a high density of transport factor-docking Phe-Gly repeats in the central channel, organized into distinct functional units. This integrative structure enables us to rationalize the architecture, transport mechanism and evolutionary origins of the nuclear pore complex.

Integrative structure and functional anatomy of a nuclear pore complex.

Science.gov (United States)

Kim, Seung Joong; Fernandez-Martinez, Javier; Nudelman, Ilona; Shi, Yi; Zhang, Wenzhu; Raveh, Barak; Herricks, Thurston; Slaughter, Brian D; Hogan, Joanna A; Upla, Paula; Chemmama, Ilan E; Pellarin, Riccardo; Echeverria, Ignacia; Shivaraju, Manjunatha; Chaudhury, Azraa S; Wang, Junjie; Williams, Rosemary; Unruh, Jay R; Greenberg, Charles H; Jacobs, Erica Y; Yu, Zhiheng; de la Cruz, M Jason; Mironska, Roxana; Stokes, David L; Aitchison, John D; Jarrold, Martin F; Gerton, Jennifer L; Ludtke, Steven J; Akey, Christopher W; Chait, Brian T; Sali, Andrej; Rout, Michael P

2018-03-22

Nuclear pore complexes play central roles as gatekeepers of RNA and protein transport between the cytoplasm and nucleoplasm. However, their large size and dynamic nature have impeded a full structural and functional elucidation. Here we determined the structure of the entire 552-protein nuclear pore complex of the yeast Saccharomyces cerevisiae at sub-nanometre precision by satisfying a wide range of data relating to the molecular arrangement of its constituents. The nuclear pore complex incorporates sturdy diagonal columns and connector cables attached to these columns, imbuing the structure with strength and flexibility. These cables also tie together all other elements of the nuclear pore complex, including membrane-interacting regions, outer rings and RNA-processing platforms. Inwardly directed anchors create a high density of transport factor-docking Phe-Gly repeats in the central channel, organized into distinct functional units. This integrative structure enables us to rationalize the architecture, transport mechanism and evolutionary origins of the nuclear pore complex.

M31 GLOBULAR CLUSTER STRUCTURES AND THE PRESENCE OF X-RAY BINARIES

International Nuclear Information System (INIS)

Agar, J. R. R.; Barmby, P.

2013-01-01

The Andromeda galaxy, M31, has several times the number of globular clusters found in the Milky Way. It contains a correspondingly larger number of low-mass X-ray binaries (LMXBs) associated with globular clusters, and as such can be used to investigate the cluster properties that lead to X-ray binary formation. The best tracer of the spatial structure of M31 globulars is the high-resolution imaging available from the Hubble Space Telescope (HST), and we have used HST data to derive structural parameters for 29 LMXB-hosting M31 globular clusters. These measurements are combined with structural parameters from the literature for a total of 41 (of 50 known) LMXB clusters and a comparison sample of 65 non-LMXB clusters. Structural parameters measured in blue bandpasses are found to be slightly different (smaller core radii and higher concentrations) than those measured in red bandpasses; this difference is enhanced in LMXB clusters and could be related to stellar population differences. Clusters with LMXBs show higher collision rates for their mass compared to clusters without LMXBs, and collision rates estimated at the core radius show larger offsets than rates estimated at the half-light radius. These results are consistent with the dynamical formation scenario for LMXBs. A logistic regression analysis finds that, as expected, the probability of a cluster hosting an LMXB increases with increasing collision rate and proximity to the galaxy center. The same analysis finds that probability of a cluster hosting an LMXB decreases with increasing cluster mass at a fixed collision rate, although we caution that this could be due to sample selection effects. Metallicity is found to be a less important predictor of LMXB probability than collision rate, mass, or distance, even though LMXB clusters have a higher metallicity on average. This may be due to the interaction of location and metallicity: a sample of M31 LMXBs with a greater range in galactocentric distance would

Binary versus non-binary information in real time series: empirical results and maximum-entropy matrix models

Science.gov (United States)

Almog, Assaf; Garlaschelli, Diego

2014-09-01

The dynamics of complex systems, from financial markets to the brain, can be monitored in terms of multiple time series of activity of the constituent units, such as stocks or neurons, respectively. While the main focus of time series analysis is on the magnitude of temporal increments, a significant piece of information is encoded into the binary projection (i.e. the sign) of such increments. In this paper we provide further evidence of this by showing strong nonlinear relations between binary and non-binary properties of financial time series. These relations are a novel quantification of the fact that extreme price increments occur more often when most stocks move in the same direction. We then introduce an information-theoretic approach to the analysis of the binary signature of single and multiple time series. Through the definition of maximum-entropy ensembles of binary matrices and their mapping to spin models in statistical physics, we quantify the information encoded into the simplest binary properties of real time series and identify the most informative property given a set of measurements. Our formalism is able to accurately replicate, and mathematically characterize, the observed binary/non-binary relations. We also obtain a phase diagram allowing us to identify, based only on the instantaneous aggregate return of a set of multiple time series, a regime where the so-called ‘market mode’ has an optimal interpretation in terms of collective (endogenous) effects, a regime where it is parsimoniously explained by pure noise, and a regime where it can be regarded as a combination of endogenous and exogenous factors. Our approach allows us to connect spin models, simple stochastic processes, and ensembles of time series inferred from partial information.

Binary versus non-binary information in real time series: empirical results and maximum-entropy matrix models

International Nuclear Information System (INIS)

Almog, Assaf; Garlaschelli, Diego

2014-01-01

The dynamics of complex systems, from financial markets to the brain, can be monitored in terms of multiple time series of activity of the constituent units, such as stocks or neurons, respectively. While the main focus of time series analysis is on the magnitude of temporal increments, a significant piece of information is encoded into the binary projection (i.e. the sign) of such increments. In this paper we provide further evidence of this by showing strong nonlinear relations between binary and non-binary properties of financial time series. These relations are a novel quantification of the fact that extreme price increments occur more often when most stocks move in the same direction. We then introduce an information-theoretic approach to the analysis of the binary signature of single and multiple time series. Through the definition of maximum-entropy ensembles of binary matrices and their mapping to spin models in statistical physics, we quantify the information encoded into the simplest binary properties of real time series and identify the most informative property given a set of measurements. Our formalism is able to accurately replicate, and mathematically characterize, the observed binary/non-binary relations. We also obtain a phase diagram allowing us to identify, based only on the instantaneous aggregate return of a set of multiple time series, a regime where the so-called ‘market mode’ has an optimal interpretation in terms of collective (endogenous) effects, a regime where it is parsimoniously explained by pure noise, and a regime where it can be regarded as a combination of endogenous and exogenous factors. Our approach allows us to connect spin models, simple stochastic processes, and ensembles of time series inferred from partial information. (paper)

Structure and molecular motion in three modifications of a binary C23H48-C24H50 paraffin

International Nuclear Information System (INIS)

Craievich, A.F.; Denicolo, I.; Doucet, J.

1983-01-01

The temperature dependence of the intensities of the (00l) X-ray reflections from a binary paraffin (C 23 H 48 -25% C 24 H 50 ) was determined, in order to obtain structure parameters related to the molecular motion and intramolecular defects. The long lattice spacing was also determined as a function of the temperature. All of these results are compared with the temperature dependence of the ratio of the two short lattice parameters. The clear correlation of all of these experimental results provides a close characterization of the molecular structures and their changes at the several solid state phase transitions. (Author) [pt

A family of integrable differential–difference equations, its bi-Hamiltonian structure and binary nonlinearization of the Lax pairs and adjoint Lax pairs

International Nuclear Information System (INIS)

Xu Xixiang

2012-01-01

Highlights: ► We deduce a family of integrable differential–difference equations. ► We present a discrete Hamiltonian operator involving two arbitrary real parameters. ► We establish the bi-Hamiltonian structure for obtained integrable family. ► Liouvolle integrability of the obtained family is demonstrated. ► Every equation in obtained family is factored through the binary nonlinearization. - Abstract: A family of integrable differential–difference equations is derived by the method of Lax pairs. A discrete Hamiltonian operator involving two arbitrary real parameters is introduced. When the parameters are suitably selected, a pair of discrete Hamiltonian operators is presented. Bi-Hamiltonian structure of obtained family is established by discrete trace identity. Then, Liouville integrability for the obtained family is proved. Ultimately, through the binary nonlinearization of the Lax pairs and adjoint Lax pairs, every differential–difference equation in obtained family is factored by an integrable symplectic map and a finite-dimensional integrable system in Liouville sense.

Estimation of the Ideal Binary Mask using Directional Systems

DEFF Research Database (Denmark)

Boldt, Jesper; Kjems, Ulrik; Pedersen, Michael Syskind

2008-01-01

The ideal binary mask is often seen as a goal for time-frequency masking algorithms trying to increase speech intelligibility, but the required availability of the unmixed signals makes it difficult to calculate the ideal binary mask in any real-life applications. In this paper we derive the theory...... and the requirements to enable calculations of the ideal binary mask using a directional system without the availability of the unmixed signals. The proposed method has a low complexity and is verified using computer simulation in both ideal and non-ideal setups showing promising results....

RELATIONSHIP BETWEEN FLASH POINTS OF SOME BINARY ...

African Journals Online (AJOL)

B. S. Chandravanshi

Miscellaneous binary blends containing solvent neutral-150 (SN-150), ... viscosity, the flash point test has always been a standard part of a lubricant's specification. ... between structure and flash points of organic compounds [5-12] and fuels [13, 14]. ... in binary mixtures, the gaps between flash points would be high enough.

Designing complex systems - a structured activity

NARCIS (Netherlands)

van der Veer, Gerrit C.; van Vliet, Johannes C.; Lenting, Bert; Olson, Gary M.; Schuon, Sue

1995-01-01

This paper concerns the development of complex systems from the point of view of design as a structure of activities, related both to the clients and the users. Several modeling approaches will be adopted for different aspects of design, and several views on design will be integrated. The proposed

Fast optimization of binary clusters using a novel dynamic lattice searching method

International Nuclear Information System (INIS)

Wu, Xia; Cheng, Wen

2014-01-01

Global optimization of binary clusters has been a difficult task despite of much effort and many efficient methods. Directing toward two types of elements (i.e., homotop problem) in binary clusters, two classes of virtual dynamic lattices are constructed and a modified dynamic lattice searching (DLS) method, i.e., binary DLS (BDLS) method, is developed. However, it was found that the BDLS can only be utilized for the optimization of binary clusters with small sizes because homotop problem is hard to be solved without atomic exchange operation. Therefore, the iterated local search (ILS) method is adopted to solve homotop problem and an efficient method based on the BDLS method and ILS, named as BDLS-ILS, is presented for global optimization of binary clusters. In order to assess the efficiency of the proposed method, binary Lennard-Jones clusters with up to 100 atoms are investigated. Results show that the method is proved to be efficient. Furthermore, the BDLS-ILS method is also adopted to study the geometrical structures of (AuPd) 79 clusters with DFT-fit parameters of Gupta potential

Efficient analytical expressions for dynamic structure of liquid binary alloys: K–Cs as a case study

International Nuclear Information System (INIS)

Wax, Jean-François; Bryk, Taras; Johnson, Mark R

2016-01-01

A fitting scheme for analysis of collective dynamics in liquid binary alloys is proposed. It is based on explicit treatment of contributions from three relaxing modes and two types of propagating modes to the partial density–density time correlation functions and corresponding partial dynamic structure factors. Exact sum rules for each partial dynamic structure factor were taken into account. The proposed fitting scheme was applied to the liquid equimolar K–Cs alloy. Analysis of simulation-derived partial time correlation functions as well as of their corresponding Bhatia–Thornton ‘number-concentration’ combinations allowed dispersion and damping of the two branches of collective excitations and the behaviour of relaxing modes in a wide range of wave numbers to be obtained. A comparison with the inelastic neutron-scattering intensities for the liquid K–Cs alloy was performed. (paper)

A wide low-mass binary model for the origin of axially symmetric non-thermal radio sources

International Nuclear Information System (INIS)

Kool, M. de; Heuvel, E.P.J. van den

1985-01-01

An accreting binary model has been proposed by recent workers to account for the origin of the axially symmetric non-thermal radio sources. The authors show that the only type of binary system that can produce the observed structural properties, is a relatively wide neutron star binary, in which the companion of the neutron star is a low-mass giant. Binaries of this type are expected to resemble closely the eight brightest galactic bulge X-ray sources as well as the progenitors of the two wide radio pulsar binaries. (U.K.)

Structure of a stacked anthraquinone–DNA complex

Science.gov (United States)

De Luchi, Daniela; Usón, Isabel; Wright, Glenford; Gouyette, Catherine; Subirana, Juan A.

2010-01-01

The crystal structure of the telomeric sequence d(UBrAGG) interacting with an anthraquinone derivative has been solved by MAD. In all previously studied complexes of intercalating drugs, the drug is usually sandwiched between two DNA base pairs. Instead, the present structure looks like a crystal of stacked anthraquinone molecules in which isolated base pairs are intercalated. Unusual base pairs are present in the structure, such as G·G and A·UBr reverse Watson–Crick base pairs. PMID:20823516

The structure of n-alkane binary mixtures adsorbed on graphite

International Nuclear Information System (INIS)

Espeau, Philippe; White, John W.; Papoular, Robert J.

2005-01-01

The thermodynamics and structure of the surface adsorbed phase in binary C15-C16 and C15-C17 n-alkane mixtures confined in graphite pores have been studied by differential scanning calorimetry and small-angle X-ray scattering. The previously observed selective adsorption of the longer alkane for chain length differences greater than five carbon atoms is verified but reduced for chain length differences less than or equal to two. With a difference in chain length of one carbon atom, Vegard's law is followed for the melting points of the adsorbed mixture and the (0 2) d-spacing is a continuous function of the mole fraction x. With a two-carbon atom difference, samples aged for 1 week have a lamellar structure for which the entities A 1-x B x try to be commensurate with the substrate. The same samples aged for 1 month show a continuous parabolic x-dependence for both the melting points and the d-spacings. An explanation in terms of selective probability of adsorption is proposed based on crystallographic considerations

The structure of n-alkane binary mixtures adsorbed on graphite

Energy Technology Data Exchange (ETDEWEB)

Espeau, Philippe [Laboratoire de Chimie Physique et Minerale, Faculte de Pharmacie, Universite Rene Descartes-Paris V, F-75006 Paris (France)]. E-mail: philippe.espeau@univ-paris5.fr; White, John W. [Research School of Chemistry, Australian National University, Canberra, ACT 0200 (Australia); Papoular, Robert J. [Laboratoire Leon Brillouin, CEA-CEN Saclay, F-91191 Gif-sur-Yvette Cedex (France)

2005-12-15

The thermodynamics and structure of the surface adsorbed phase in binary C15-C16 and C15-C17 n-alkane mixtures confined in graphite pores have been studied by differential scanning calorimetry and small-angle X-ray scattering. The previously observed selective adsorption of the longer alkane for chain length differences greater than five carbon atoms is verified but reduced for chain length differences less than or equal to two. With a difference in chain length of one carbon atom, Vegard's law is followed for the melting points of the adsorbed mixture and the (0 2) d-spacing is a continuous function of the mole fraction x. With a two-carbon atom difference, samples aged for 1 week have a lamellar structure for which the entities A{sub 1-x}B {sub x} try to be commensurate with the substrate. The same samples aged for 1 month show a continuous parabolic x-dependence for both the melting points and the d-spacings. An explanation in terms of selective probability of adsorption is proposed based on crystallographic considerations.

Structure-based characterization of multiprotein complexes.

Science.gov (United States)

Wiederstein, Markus; Gruber, Markus; Frank, Karl; Melo, Francisco; Sippl, Manfred J

2014-07-08

Multiprotein complexes govern virtually all cellular processes. Their 3D structures provide important clues to their biological roles, especially through structural correlations among protein molecules and complexes. The detection of such correlations generally requires comprehensive searches in databases of known protein structures by means of appropriate structure-matching techniques. Here, we present a high-speed structure search engine capable of instantly matching large protein oligomers against the complete and up-to-date database of biologically functional assemblies of protein molecules. We use this tool to reveal unseen structural correlations on the level of protein quaternary structure and demonstrate its general usefulness for efficiently exploring complex structural relationships among known protein assemblies. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Structure and electrical resistivity of alkali-alkali and lithium-based liquid binary alloys

International Nuclear Information System (INIS)

Mishra, A.K.; Mukherjee, K.K.

1990-01-01

Harmonic model potential, developed and used for simple metals is applied here to evaluate hardsphere diameters, which ensure minimum interionic pair potential for alkali-alkali (Na-K, Na-Rb, Na-Cs, K-Rb, K-Cs) and lithium-based (Li-Na, Li-Mg, Li-In, Li-Tl) liquid binary alloys as a function of composition for use in the determination of their partial structure factors. These structure factors are then used to calculate electrical resistivities of alloys considered. The computed values of electrical resistivity as a function of composition agree both, in magnitude and gradient reasonably well with experimental values in all cases except in Cs systems, where the disagreement is appreciable. (author)

Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: comparison with structures of other complexes.

Science.gov (United States)

Kim, H; Lipscomb, W N

1990-06-12

O-[[(1R)-[[N-(Phenylmethoxycarbonyl)-L-alanyl]amino]ethyl] hydroxyphosphinyl]-L-3-phenyllacetate [ZAAP(O)F], an analogue of (benzyloxycarbonyl)-Ala-Ala-Phe or (benzyloxycarbonyl)-Ala-Ala-phenyllactate, binds to carboxypeptidase A with great affinity (Ki = 3 pM). Similar phosphonates have been shown to be transition-state analogues of the CPA-catalyzed hydrolysis [Hanson, J. E., Kaplan, A. P., & Bartlett, P. A. (1989) Biochemistry 28, 6294-6305]. In the present study, the structure of the complex of this phosphonate with carboxypeptidase A has been determined by X-ray crystallography to a resolution of 2.0 A. The complex crystallizes in the space group P2(1)2(1)2(1) with cell dimensions a = 61.9 A, b = 67.2 A, and c = 76.2 A. The structure of the complex was solved by molecular replacement. Refinement of the structure against 20,776 unique reflections between 10.0 and 2.0 A yields a crystallographic residual of 0.193, including 140 water molecules. The two phosphinyl oxygens of the inhibitor bind to the active-site zinc at 2.2 A on the electrophilic (Arg-127) side and 3.1 A on the nucleophilic (Glu-270) side. Various features of the binding mode of this phosphonate inhibitor are consistent with the hypothesis that carboxypeptidase A catalyzed hydrolysis proceeds through a general-base mechanism in which the carbonyl carbon of the substrate is attacked by Zn-hydroxyl (or Zn-water). An unexpected feature of the bound inhibitor, the cis carbamoyl ester bond at the benzyloxycarbonyl linkage to alanine, allows the benzyloxycarbonyl phenyl ring of the inhibitor to interact favorably with Tyr-198. This complex structure is compared with previous structures of carboxypeptidase A, including the complexes with the potato inhibitor, a hydrated keto methylene substrate analogue, and a phosphonamidate inhibitor. Comparisons are also made with the complexes of thermolysin with some phosphonamidate inhibitors.

Si K EDGE STRUCTURE AND VARIABILITY IN GALACTIC X-RAY BINARIES

Energy Technology Data Exchange (ETDEWEB)

Schulz, Norbert S.; Corrales, Lia; Canizares, Claude R. [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

2016-08-10

We survey the Si K edge structure in various absorbed Galactic low-mass X-ray binaries (LMXBs) to study states of silicon in the inter- and circum-stellar medium. The bulk of these LMXBs lie toward the Galactic bulge region and all have column densities above 10{sup 22} cm{sup −2}. The observations were performed using the Chandra High Energy Transmission Grating Spectrometer. The Si K edge in all sources appears at an energy value of 1844 ± 0.001 eV. The edge exhibits significant substructure that can be described by a near edge absorption feature at 1849 ± 0.002 eV and a far edge absorption feature at 1865 ± 0.002 eV. Both of these absorption features appear variable with equivalent widths up to several mÅ. We can describe the edge structure using several components: multiple edge functions, near edge absorption excesses from silicates in dust form, signatures from X-ray scattering optical depths, and a variable warm absorber from ionized atomic silicon. The measured optical depths of the edges indicate much higher values than expected from atomic silicon cross sections and interstellar medium abundances, and they appear consistent with predictions from silicate X-ray absorption and scattering. A comparison with models also indicates a preference for larger dust grain sizes. In many cases, we identify Si xiii resonance absorption and determine ionization parameters between log ξ = 1.8 and 2.8 and turbulent velocities between 300 and 1000 km s{sup −1}. This places the warm absorber in close vicinity of the X-ray binaries. In some data, we observe a weak edge at 1.840 keV, potentially from a lesser contribution of neutral atomic silicon.

Microscopic 3D measurement of dynamic scene using optimized pulse-width-modulation binary fringe

Science.gov (United States)

Hu, Yan; Chen, Qian; Feng, Shijie; Tao, Tianyang; Li, Hui; Zuo, Chao

2017-10-01

Microscopic 3-D shape measurement can supply accurate metrology of the delicacy and complexity of MEMS components of the final devices to ensure their proper performance. Fringe projection profilometry (FPP) has the advantages of noncontactness and high accuracy, making it widely used in 3-D measurement. Recently, tremendous advance of electronics development promotes 3-D measurements to be more accurate and faster. However, research about real-time microscopic 3-D measurement is still rarely reported. In this work, we effectively combine optimized binary structured pattern with number-theoretical phase unwrapping algorithm to realize real-time 3-D shape measurement. A slight defocusing of our proposed binary patterns can considerably alleviate the measurement error based on phase-shifting FPP, making the binary patterns have the comparable performance with ideal sinusoidal patterns. Real-time 3-D measurement about 120 frames per second (FPS) is achieved, and experimental result of a vibrating earphone is presented.

Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Koley, Biplab [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Chatterjee, S. [Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)

2017-02-15

A new phase in the Rh-Cd binary system - Rh{sub 2}Cd{sub 5} has been identified and characterized by single crystal X-ray diffraction and Energy dispersive X-ray analysis. The stoichiometric compound Rh{sub 2}Cd{sub 5} crystallizes with a unit cell containing 14 atoms, in the orthorhombic space group Pbam (55). The crystal structure of Rh{sub 2}Cd{sub 5} can be described as a defect form of the In{sub 3}Pd{sub 5} structure with ordered vacancies, formed of two 2D atomic layers with the stacking sequence: ABAB. The A type layers consist of (3.6.3.6)-Kagomé nets of Cd atoms while the B type layers consist of (3{sup 5}) (3{sup 7})- nets of both Cd and Rh atoms. The stability of this line phase is investigated by first principle electronic structure calculations on the model of ordered Rh{sub 2}Cd{sub 5}. - Graphical abstract: (3.6.3.6)-Kagomé nets of cadmium atoms (top) and (3{sup 5}) (3{sup 7})- nets of both cadmium and rhodium atoms (bottom) in the structure of Rh{sub 2}Cd{sub 5}.

Mass loss from interacting close binary systems

Science.gov (United States)

Plavec, M. J.

1981-01-01

The three well-defined classes of evolved binary systems that show evidence of present and/or past mass loss are the cataclysmic variables, the Algols, and Wolf-Rayet stars. It is thought that the transformation of supergiant binary systems into the very short-period cataclysmic variables must have been a complex process. The new evidence that has recently been obtained from the far ultraviolet spectra that a certain subclass of the Algols (the Serpentids) are undergoing fairly rapid evolution is discussed. It is thought probable that the remarkable mass outflow observed in them is connected with a strong wind powered by accretion. The origin of the circumbinary clouds or flat disks that probably surround many strongly interacting binaries is not clear. Attention is also given to binary systems with hot white dwarf or subdwarf components, such as the symbiotic objects and the BQ stars; it is noted that in them both components may be prone to an enhanced stellar wind.

Binary Linear-Time Erasure Decoding for Non-Binary LDPC codes

OpenAIRE

Savin, Valentin

2009-01-01

In this paper, we first introduce the extended binary representation of non-binary codes, which corresponds to a covering graph of the bipartite graph associated with the non-binary code. Then we show that non-binary codewords correspond to binary codewords of the extended representation that further satisfy some simplex-constraint: that is, bits lying over the same symbol-node of the non-binary graph must form a codeword of a simplex code. Applied to the binary erasure channel, this descript...

GALAXY ROTATION AND RAPID SUPERMASSIVE BINARY COALESCENCE

Energy Technology Data Exchange (ETDEWEB)

Holley-Bockelmann, Kelly [Vanderbilt University, Nashville, TN (United States); Khan, Fazeel Mahmood, E-mail: k.holley@vanderbilt.edu [Institute of Space Technology (IST), Islamabad (Pakistan)

2015-09-10

Galaxy mergers usher the supermassive black hole (SMBH) in each galaxy to the center of the potential, where they form an SMBH binary. The binary orbit shrinks by ejecting stars via three-body scattering, but ample work has shown that in spherical galaxy models, the binary separation stalls after ejecting all the stars in its loss cone—this is the well-known final parsec problem. However, it has been shown that SMBH binaries in non-spherical galactic nuclei harden at a nearly constant rate until reaching the gravitational wave regime. Here we use a suite of direct N-body simulations to follow SMBH binary evolution in both corotating and counterrotating flattened galaxy models. For N > 500 K, we find that the evolution of the SMBH binary is convergent and is independent of the particle number. Rotation in general increases the hardening rate of SMBH binaries even more effectively than galaxy geometry alone. SMBH binary hardening rates are similar for co- and counterrotating galaxies. In the corotating case, the center of mass of the SMBH binary settles into an orbit that is in corotation resonance with the background rotating model, and the coalescence time is roughly a few 100 Myr faster than a non-rotating flattened model. We find that counterrotation drives SMBHs to coalesce on a nearly radial orbit promptly after forming a hard binary. We discuss the implications for gravitational wave astronomy, hypervelocity star production, and the effect on the structure of the host galaxy.

GALAXY ROTATION AND RAPID SUPERMASSIVE BINARY COALESCENCE

International Nuclear Information System (INIS)

Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood

2015-01-01

Galaxy mergers usher the supermassive black hole (SMBH) in each galaxy to the center of the potential, where they form an SMBH binary. The binary orbit shrinks by ejecting stars via three-body scattering, but ample work has shown that in spherical galaxy models, the binary separation stalls after ejecting all the stars in its loss cone—this is the well-known final parsec problem. However, it has been shown that SMBH binaries in non-spherical galactic nuclei harden at a nearly constant rate until reaching the gravitational wave regime. Here we use a suite of direct N-body simulations to follow SMBH binary evolution in both corotating and counterrotating flattened galaxy models. For N > 500 K, we find that the evolution of the SMBH binary is convergent and is independent of the particle number. Rotation in general increases the hardening rate of SMBH binaries even more effectively than galaxy geometry alone. SMBH binary hardening rates are similar for co- and counterrotating galaxies. In the corotating case, the center of mass of the SMBH binary settles into an orbit that is in corotation resonance with the background rotating model, and the coalescence time is roughly a few 100 Myr faster than a non-rotating flattened model. We find that counterrotation drives SMBHs to coalesce on a nearly radial orbit promptly after forming a hard binary. We discuss the implications for gravitational wave astronomy, hypervelocity star production, and the effect on the structure of the host galaxy

Binary effectivity rules

DEFF Research Database (Denmark)

Keiding, Hans; Peleg, Bezalel

2006-01-01

is binary if it is rationalized by an acyclic binary relation. The foregoing result motivates our definition of a binary effectivity rule as the effectivity rule of some binary SCR. A binary SCR is regular if it satisfies unanimity, monotonicity, and independence of infeasible alternatives. A binary...

Enhancement of phononic band gaps in ternary/binary structure

International Nuclear Information System (INIS)

Aly, Arafa H.; Mehaney, Ahmed

2012-01-01

Based on the transfer matrix method (TMM) and Bloch theory, the interaction of elastic waves (normal incidence) with 1D phononic crystal had been studied. The transfer matrix method was obtained for both longitudinal and transverse waves by applying the continuity conditions between the consecutive unit cells. Dispersion relations are calculated and plotted for both binary and ternary structures. Also we have investigated the corresponding effects on the band gaps values for the two types of phononic crystals. Furthermore, it can be observed that the complete band gaps are located in the common frequency stop-band regions. Numerical simulations are performed to investigate the effect of different thickness ratios inside each unit cell on the band gap values, as well as unit cells thickness on the central band gap frequency. These phononic band gap materials can be used as a filter for elastic waves at different frequencies values.

BSDB: A New Consistent Designation Scheme for Identifying Objects in Binary and Multiple Stars

Directory of Open Access Journals (Sweden)

Kovaleva D. A.

2015-06-01

Full Text Available The new consistent scheme for designation of objects in binary and multiple systems, BSDB, is described. It was developed in the frame of the Binary star DataBase, BDB (http://www.inasan.ru, due to necessity of a unified and consistent system for designation of objects in the database, and the name of the designation scheme was derived from that of the database. The BSDB scheme covers all types of observational data. Three classes of objects introduced within the BSDB nomenclature provide correct links between objects and data, what is especially important for complex multiple stellar systems. The final stage of establishing the BSDB scheme is compilation of the Identification List of Binaries, ILB, where all known objects in binary and multiple stars are presented with their BSDB identifiers along with identifiers according to major catalogues and lists.

Retraction Note to: Ultra-High Strength and Ductile Lamellar-Structured Powder Metallurgy Binary Ti-Ta Alloys

Science.gov (United States)

Liu, Yong; Xu, Shenghang; Wang, Xin; Li, Kaiyang; Liu, Bin; Wu, Hong; Tang, Huiping

2018-05-01

The editors and authors have retracted the article, "Ultra-High Strength and Ductile Lamellar-Structured Powder Metallurgy Binary Ti-Ta Alloys" by Yong Liu, Shenghang Xu, Xin Wang, Kaiyang Li, Bin Liu, Hong Wu, and Huiping Tang (https://doi.org/10.1007/s11837-015-1801-1).

Learning to assign binary weights to binary descriptor

Science.gov (United States)

Huang, Zhoudi; Wei, Zhenzhong; Zhang, Guangjun

2016-10-01

Constructing robust binary local feature descriptors are receiving increasing interest due to their binary nature, which can enable fast processing while requiring significantly less memory than their floating-point competitors. To bridge the performance gap between the binary and floating-point descriptors without increasing the computational cost of computing and matching, optimal binary weights are learning to assign to binary descriptor for considering each bit might contribute differently to the distinctiveness and robustness. Technically, a large-scale regularized optimization method is applied to learn float weights for each bit of the binary descriptor. Furthermore, binary approximation for the float weights is performed by utilizing an efficient alternatively greedy strategy, which can significantly improve the discriminative power while preserve fast matching advantage. Extensive experimental results on two challenging datasets (Brown dataset and Oxford dataset) demonstrate the effectiveness and efficiency of the proposed method.

A 3D dynamical model of the colliding winds in binary systems

Science.gov (United States)

Parkin, E. R.; Pittard, J. M.

2008-08-01

We present a three-dimensional (3D) dynamical model of the orbital-induced curvature of the wind-wind collision region in binary star systems. Momentum balance equations are used to determine the position and shape of the contact discontinuity between the stars, while further downstream the gas is assumed to behave ballistically. An Archimedean spiral structure is formed by the motion of the stars, with clear resemblance to high-resolution images of the so-called `pinwheel nebulae'. A key advantage of this approach over grid or smoothed particle hydrodynamic models is its significantly reduced computational cost, while it also allows the study of the structure obtained in an eccentric orbit. The model is relevant to symbiotic systems and γ-ray binaries, as well as systems with O-type and Wolf-Rayet stars. As an example application, we simulate the X-ray emission from hypothetical O+O and WR+O star binaries, and describe a method of ray tracing through the 3D spiral structure to account for absorption by the circumstellar material in the system. Such calculations may be easily adapted to study observations at wavelengths ranging from the radio to γ-ray.

Stock Picking via Nonsymmetrically Pruned Binary Decision Trees

OpenAIRE

Anton Andriyashin

2008-01-01

Stock picking is the field of financial analysis that is of particular interest for many professional investors and researchers. In this study stock picking is implemented via binary classification trees. Optimal tree size is believed to be the crucial factor in forecasting performance of the trees. While there exists a standard method of tree pruning, which is based on the cost-complexity tradeoff and used in the majority of studies employing binary decision trees, this paper introduces a no...

Construction and characterization of a partial binary bacterial ...

African Journals Online (AJOL)

The structure and organization of the genome of Agave is still unknown. To provide a genomic tool for searching sequences of the genus, we built and characterized a binary (BIBAC2) genomic library of Agave tequilana Weber var. azul. Clones of the library had an average insert size of 170 Kb. The frequency of inserts with ...

Interacting binaries

International Nuclear Information System (INIS)

Eggleton, P.P.; Pringle, J.E.

1985-01-01

This volume contains 15 review articles in the field of binary stars. The subjects reviewed span considerably, from the shortest period of interacting binaries to the longest, symbiotic stars. Also included are articles on Algols, X-ray binaries and Wolf-Rayet stars (single and binary). Contents: Preface. List of Participants. Activity of Contact Binary Systems. Wolf-Rayet Stars and Binarity. Symbiotic Stars. Massive X-ray Binaries. Stars that go Hump in the Night: The SU UMa Stars. Interacting Binaries - Summing Up

Complex magnetic behavior in CeGe binary alloy under pressure

International Nuclear Information System (INIS)

Marcano, N.; Haines, S.; Smith, R.; Saxena, S.S.; Aviani, I.; Espeso, J.I.; Gomez, J.S.

2007-01-01

Full text: We have investigated the effect of applied hydrostatic pressure up to 15 kbar on the magnetic structure of the antiferromagnetic CeGe by means of resistivity down to very low temperature (90 mK) and magnetization. These results are discussed together with those derived from specific heat, magnetization and resistivity obtained with different magnetic fields(1). The set of data points towards a complex structure in this compound which requires higher pressures in order to tune TN. (authors)

Three-dimensional structure of a pre-catalytic human spliceosomal complex B.

Science.gov (United States)

Boehringer, Daniel; Makarov, Evgeny M; Sander, Bjoern; Makarova, Olga V; Kastner, Berthold; Lührmann, Reinhard; Stark, Holger

2004-05-01

Major structural changes occur in the spliceosome during its transition from the fully assembled complex B to the catalytically activated spliceosome. To understand the rearrangement, it is necessary to know the detailed three-dimensional structures of these complexes. Here, we have immunoaffinity-purified human spliceosomes (designated B Delta U1) at a stage after U4/U6.U5 tri-snRNP integration but before activation, and have determined the three-dimensional structure of B Delta U1 by single-particle electron cryomicroscopy at a resolution of approximately 40 A. The overall size of the complex is about 370 x 270 x 170 A. The three-dimensional structure features a roughly triangular body linked to a head domain in variable orientations. The body is very similar in size and shape to the isolated U4/U6.U5 tri-snRNP. This provides initial insight into the structural organization of complex B.

A Structural Study of the Pseudo-Binary Mercury Chalcogenide Alloy HgSe_{0.7}S_{0.3} at High Pressure

CERN Document Server

Kozlenko, D P; Ehm, L; Knorr, K; Hull, S; Shchennikov, V V; Voronin, V I

2002-01-01

The structure of the pseudo-binary mercury chalcogenide alloy HgSe_{0.7}S_{0.3} has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P{\\sim}1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of Landau theory of the phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e_{4}. This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides.

A structural study of the pseudo-binary mercury chalcogenide alloy HgSe0.7S0.3 at high pressure

International Nuclear Information System (INIS)

Kozlenko, D.P.; Savenko, B.N.; Ehm, L.; Knorr, K.; Hull, S.; Shchennikov, V.V.; Voronin, V.I.

2002-01-01

The structure of the pseudo-binary mercury chalcogenide alloy HgSe 0.7 S 0.3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P∼1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e 4 . This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

Merger rate of primordial black-hole binaries

Science.gov (United States)

Ali-Haïmoud, Yacine; Kovetz, Ely D.; Kamionkowski, Marc

2017-12-01

Primordial black holes (PBHs) have long been a candidate for the elusive dark matter (DM), and remain poorly constrained in the ˜20 - 100 M⊙ mass range. PBH binaries were recently suggested as the possible source of LIGO's first detections. In this paper, we thoroughly revisit existing estimates of the merger rate of PBH binaries. We compute the probability distribution of orbital parameters for PBH binaries formed in the early Universe, accounting for tidal torquing by all other PBHs, as well as standard large-scale adiabatic perturbations. We then check whether the orbital parameters of PBH binaries formed in the early Universe can be significantly affected between formation and merger. Our analytic estimates indicate that the tidal field of halos and interactions with other PBHs, as well as dynamical friction by unbound standard DM particles, do not do significant work on nor torque PBH binaries. We estimate the torque due to baryon accretion to be much weaker than previous calculations, albeit possibly large enough to significantly affect the eccentricity of typical PBH binaries. We also revisit the PBH-binary merger rate resulting from gravitational capture in present-day halos, accounting for Poisson fluctuations. If binaries formed in the early Universe survive to the present time, as suggested by our analytic estimates, they dominate the total PBH merger rate. Moreover, this merger rate would be orders of magnitude larger than LIGO's current upper limits if PBHs make a significant fraction of the dark matter. As a consequence, LIGO would constrain ˜10 - 300 M⊙ PBHs to constitute no more than ˜1 % of the dark matter. To make this conclusion fully robust, though, numerical study of several complex astrophysical processes—such as the formation of the first PBH halos and how they may affect PBH binaries, as well as the accretion of gas onto an extremely eccentric binary—is needed.

A ROSAT Survey of Contact Binary Stars

Science.gov (United States)

Geske, M. T.; Gettel, S. J.; McKay, T. A.

2006-01-01

Contact binary stars are common variable stars that are all believed to emit relatively large fluxes of X-rays. In this work we combine a large new sample of contact binary stars derived from the ROTSE-I telescope with X-ray data from the ROSAT All Sky Survey (RASS) to estimate the X-ray volume emissivity of contact binary stars in the Galaxy. We obtained X-ray fluxes for 140 contact binaries from the RASS, as well as two additional stars observed by the XMM-Newton observatory. From these data we confirm the emission of X-rays from all contact binary systems, with typical luminosities of approximately 1.0×1030 ergs s-1. Combining calculated luminosities with an estimated contact binary space density, we find that contact binaries do not have strong enough X-ray emission to account for a significant portion of the Galactic X-ray background.

Structure, equilibrium and ligand exchange dynamics in the binary and ternary dioxouranium(VI)-ethylenediamine-N,N'-diacetic acid-fluoride system: A potentiometric, NMR and X-ray crystallographic study.

Science.gov (United States)

Palladino, Giuseppe; Szabó, Zoltán; Fischer, Andreas; Grenthe, Ingmar

2006-11-21

The structure, thermodynamics and kinetics of the binary and ternary uranium(VI)-ethylenediamine-N,N'-diacetate (in the following denoted EDDA) fluoride systems have been studied using potentiometry, 1H, 19F NMR spectroscopy and X-ray diffraction. The UO2(2+)-EDDA system could be studied up to -log[H3O+] = 3.4 where the formation of two binary complexes UO2(EDDA)(aq) and UO2(H3EDDA)3+ were identified, with equilibrium constants logbeta(UO2EDDA) = 11.63 +/- 0.02 and logbeta(UO2H3EDDA3+) = 1.77 +/- 0.04, respectively. In the ternary system the complexes UO2(EDDA)F-, UO2(EDDA)(OH)- and (UO2)2(mu-OH)2(HEDDA)2F2(aq) were identified; the latter through 19F NMR. 1H NMR spectra indicate that the EDDA ligand is chelate bonded in UO2(EDDA)(aq), UO2(EDDA)F- and UO2(EDDA)(OH)- while only one carboxylate group is coordinated in UO2(H3EDDA)3+. The rate and mechanism of the fluoride exchange between UO2(EDDA)F- and free fluoride was studied by 19F NMR spectroscopy. Three reactions contribute to the exchange; (i) site exchange between UO2(EDDA)F- and free fluoride without any net chemical exchange, (ii) replacement of the coordinated fluoride with OH- and (iii) the self dissociation of the coordinated fluoride forming UO2(EDDA)(aq); these reactions seem to follow associative mechanisms. (1)H NMR spectra show that the exchange between the free and chelate bonded EDDA is slow and consists of several steps, protonation/deprotonation and chelate ring opening/ring closure, the mechanism cannot be elucidated from the available data. The structure (UO2)2(EDDA)2(mu-H2EDDA) was determined by single crystal X-ray diffraction and contains two UO2(EDDA) units with tetracoordinated EDDA linked by H2EDDA in the "zwitterion" form, coordinated through a single carboxylate oxygen from each end to the two uranium atoms. The geometry of the complexes indicates that there is no geometric constraint for an associative ligand substitution mechanism.

Coordination conversion of cobalt(II) in binary aqueous-organic solvents

Energy Technology Data Exchange (ETDEWEB)

Khvostova, N.O.; Karapetyan, G.O.; Yanush, O.V.

1985-11-01

It has been shown that the thermochromic conversions of cobalt(II) in binary solvents are influenced by a number of factors: the nature of the solvent, the strength of the complexes of octahedral symmetry formed, the outer-sphere influence of the solvent on the complexes, the form of the anion, the solvation of the participants in the reaction, and the interaction of the components of the solvent with one another. A correlation between the strength and the spectral position of the absorption bands of the complexes of the activator has been established, and a spectroscopic criterion for selecting the solvents has been proposed. The expediency of using binary solvents to create effective thermochromic media with variable phototransmission has been substantiated.

Vulnerability of coral reef fisheries to a loss of structural complexity.

Science.gov (United States)

Rogers, Alice; Blanchard, Julia L; Mumby, Peter J

2014-05-05

Coral reefs face a diverse array of threats, from eutrophication and overfishing to climate change. As live corals are lost and their skeletons eroded, the structural complexity of reefs declines. This may have important consequences for the survival and growth of reef fish because complex habitats mediate predator-prey interactions [1, 2] and influence competition [3-5] through the provision of prey refugia. A positive correlation exists between structural complexity and reef fish abundance and diversity in both temperate and tropical ecosystems [6-10]. However, it is not clear how the diversity of available refugia interacts with individual predator-prey relationships to explain emergent properties at the community scale. Furthermore, we do not yet have the ability to predict how habitat loss might affect the productivity of whole reef communities and the fisheries they support. Using data from an unfished reserve in The Bahamas, we find that structural complexity is associated not only with increased fish biomass and abundance, but also with nonlinearities in the size spectra of fish, implying disproportionately high abundances of certain size classes. By developing a size spectrum food web model that links the vulnerability of prey to predation with the structural complexity of a reef, we show that these nonlinearities can be explained by size-structured prey refugia that reduce mortality rates and alter growth rates in different parts of the size spectrum. Fitting the model with data from a structurally complex habitat, we predict that a loss of complexity could cause more than a 3-fold reduction in fishery productivity. Copyright © 2014 Elsevier Ltd. All rights reserved.

Anomalous relaxation in binary mixtures: a dynamic facilitation picture

International Nuclear Information System (INIS)

Moreno, A J; Colmenero, J

2007-01-01

Recent computational investigations of polymeric and non-polymeric binary mixtures have reported anomalous relaxation features when both components exhibit very different mobilities. Anomalous relaxation is characterized by sublinear power-law behaviour for mean-squared displacements, logarithmic decay in dynamic correlators, and a striking concave-to-convex crossover in the latter by tuning the relevant control parameter, in analogy with predictions of the mode-coupling theory for state points close to higher-order transitions. We present Monte Carlo simulations on a coarse-grained model for relaxation in binary mixtures. The liquid structure is substituted by a three-dimensional array of cells. A spin variable is assigned to each cell, representing unexcited and excited local states of a mobility field. Changes in local mobility (spin flip) are permitted according to kinetic constraints determined by the mobilities of the neighbouring cells. We introduce two types of cell ('fast' and 'slow') with very different rates for spin flip. This coarse-grained model qualitatively reproduces the mentioned anomalous relaxation features observed for real binary mixtures

Complexity of Curved Glass Structures

Science.gov (United States)

Kosić, T.; Svetel, I.; Cekić, Z.

2017-11-01

Despite the increasing number of research on the architectural structures of curvilinear forms and technological and practical improvement of the glass production observed over recent years, there is still a lack of comprehensive codes and standards, recommendations and experience data linked to real-life curved glass structures applications regarding design, manufacture, use, performance and economy. However, more and more complex buildings and structures with the large areas of glass envelope geometrically complex shape are built every year. The aim of the presented research is to collect data on the existing design philosophy on curved glass structure cases. The investigation includes a survey about how architects and engineers deal with different design aspects of curved glass structures with a special focus on the design and construction process, glass types and structural and fixing systems. The current paper gives a brief overview of the survey findings.

Studies of Binary Complexes of Tripodal Ligand cis,cis-1,3,5-tris(methylaminocyclohexane with Cr(III and Fe(III

Directory of Open Access Journals (Sweden)

S. Esakki Muthu

2005-01-01

Full Text Available The formation of binary complexes of Cr(III and Fe(III with a tripodal ligand cis,cis-1,3,5-tris(methylaminocyclohexane (tmach (L has been investigated in solution. The overall stability constants of tmach with Cr(III and Fe(III were determined by potentiometric method at an ionic strength of 0.1 M NaClO4 at 25±1°C in aqueous medium. The formation of species like MLH25+, MLH4+, ML3+, ML(OH2+ and ML(OH3 were observed. Fe(III was found to form more stable complexes than Cr(III. Molecular mechanics calculations were performed to explain the mode of coordination in solution.

Massive binaries in the vicinity of Sgr A*

Energy Technology Data Exchange (ETDEWEB)

Pfuhl, O.; Gillessen, S.; Genzel, R.; Eisenhauer, F.; Fritz, T. K.; Ott, T. [Max-Planck-Institut für Extraterrestrische Physik, D-85748 Garching (Germany); Alexander, T. [Faculty of Physics, Weizmann Institute of Science, P.O. Box 26, Rehovot 76100 (Israel); Martins, F., E-mail: pfuhl@mpe.mpg.de [LUPM, Université Montpelier 2, CNRS, Place Eugéne Bataillon, F-34095, Montpellier (France)

2014-02-20

A long-term spectroscopic and photometric survey of the most luminous and massive stars in the vicinity of the supermassive black hole Sgr A* revealed two new binaries: a long-period Ofpe/WN9 binary, IRS 16NE, with a modest eccentricity of 0.3 and a period of 224 days, and an eclipsing Wolf-Rayet binary with a period of 2.3 days. Together with the already identified binary IRS 16SW, there are now three confirmed OB/WR binaries in the inner 0.2 pc of the Galactic center. Using radial velocity change upper limits, we were able to constrain the spectroscopic binary fraction in the Galactic center to F{sub SB}=0.30{sub −0.21}{sup +0.34} at a confidence level of 95%, a massive binary fraction close to that observed in dense clusters. The fraction of eclipsing binaries with photometric amplitudes Δm > 0.4 is F{sub EB}{sup GC}=3%±2%, which is consistent with local OB star clusters (F {sub EB} = 1%). Overall, the Galactic center binary fraction seems to be similar to the binary fraction in comparable young clusters.

ComplexViewer: visualization of curated macromolecular complexes.

Science.gov (United States)

Combe, Colin W; Sivade, Marine Dumousseau; Hermjakob, Henning; Heimbach, Joshua; Meldal, Birgit H M; Micklem, Gos; Orchard, Sandra; Rappsilber, Juri

2017-11-15

Proteins frequently function as parts of complexes, assemblages of multiple proteins and other biomolecules, yet network visualizations usually only show proteins as parts of binary interactions. ComplexViewer visualizes interactions with more than two participants and thereby avoids the need to first expand these into multiple binary interactions. Furthermore, if binding regions between molecules are known then these can be displayed in the context of the larger complex. freely available under Apache version 2 license; EMBL-EBI Complex Portal: http://www.ebi.ac.uk/complexportal; Source code: https://github.com/MICommunity/ComplexViewer; Package: https://www.npmjs.com/package/complexviewer; http://biojs.io/d/complexviewer. Language: JavaScript; Web technology: Scalable Vector Graphics; Libraries: D3.js. colin.combe@ed.ac.uk or juri.rappsilber@ed.ac.uk. © The Author 2017. Published by Oxford University Press.

Study of complex formation process between 4′-nitrobenzo-18-crown-6 and yttrium(III cation in some binary mixed non-aqueous solvents using the conductometry method

Directory of Open Access Journals (Sweden)

Mahboobeh Vafi

2017-07-01

Full Text Available The complexation reaction between Y3+ cation and macrocyclic ligand, 4′-nitrobenzo-18-crown-6 (4′NB18C6, was studied in acetonitrile–methanol (AN–MeOH, acetonitrile–1,2-dichloroethane (AN–DCE, acetonitrile–dimethylformamide (AN–DMF and acetonitrile–ethylacetate (AN–EtOAc binary mixed solvent solutions at different temperatures using the conductometric method. The conductance data show that in most cases, the stoichiometry of the complex formed between 4′NB18C6 and Y3+ cation is 1:1 [M:L], but in the case of AN-DCE binary solution (mol% DCE = 50 at 15, 25 and 35 °C, a 2:1 [M2:L] and also a 2:2 [M2:L2] complexes are formed in solution. The results show that the stoichiometry of the complex formed between 4′NB18C6 and Y3+ cation changes with the composition of the mixed solvents and even with temperature. The stability constant of the 1:1 complex was determined using a computer program, GENPLOT. The stability order of (4′NB18C6.Y3+ complex in pure studied solvents at 25 °C was found to be: EtOAc > AN > MeOH > DMF and in the case of the mixed solvent solutions with 25 mol percent of AN at 25 °C was: AN-DCE > AN-EtOAc > AN-MeOH ∼ AN-DMF. The values of stability constant (logKf of (4′NB18C6.Y3+ complex which were obtained from conductometric data, show that the stability of the complex is not only affected by the nature and composition of the solvent system, but it is also influenced by the temperature. In all cases, a non-linear behavior is observed for changes of logKf of the (4′NB18C6.Y3+ complex versus the composition of the binary mixed solvents. The values of standard thermodynamic quantities (ΔH°c and ΔS°c for the complexation process which were obtained from temperature dependence of the stability constant of (4′NB18C6.Y3+ complex, show that depending on the solvent system, in most cases, the complex is enthalpy and also entropy stabilized, but in some cases, it is stabilized or

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

Science.gov (United States)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

Thermophysical properties of some liquid binary Mg-based alloys

Directory of Open Access Journals (Sweden)

Plevachuk Y.

2017-01-01

Full Text Available In this study, some structure-sensitive thermophysical properties, namely, electrical conductivity, thermal conductivity and thermoelectric power of liquid binary alloys Al33.3Mg66.7, Mg47.6Zn52.4 and Mg33.3Zn66.7 (all in wt.%, as the most promising cast alloys to fabricate components for cars, aircraft and other complex engineering products, were investigated. The electrical conductivity and thermoelectric power were measured in a wide temperature range by the four-point contact method. The thermal conductivity was measured by the steady-state concentric cylinder method. The obtained results are compared with literature experimental and calculated data.

A new entropy based method for computing software structural complexity

CERN Document Server

Roca, J L

2002-01-01

In this paper a new methodology for the evaluation of software structural complexity is described. It is based on the entropy evaluation of the random uniform response function associated with the so called software characteristic function SCF. The behavior of the SCF with the different software structures and their relationship with the number of inherent errors is investigated. It is also investigated how the entropy concept can be used to evaluate the complexity of a software structure considering the SCF as a canonical representation of the graph associated with the control flow diagram. The functions, parameters and algorithms that allow to carry out this evaluation are also introduced. After this analytic phase follows the experimental phase, verifying the consistency of the proposed metric and their boundary conditions. The conclusion is that the degree of software structural complexity can be measured as the entropy of the random uniform response function of the SCF. That entropy is in direct relation...

COSMIC probes into compact binary formation and evolution

Science.gov (United States)

Breivik, Katelyn

2018-01-01

The population of compact binaries in the galaxy represents the final state of all binaries that have lived up to the present epoch. Compact binaries present a unique opportunity to probe binary evolution since many of the interactions binaries experience can be imprinted on the compact binary population. By combining binary evolution simulations with catalogs of observable compact binary systems, we can distill the dominant physical processes that govern binary star evolution, as well as predict the abundance and variety of their end products.The next decades herald a previously unseen opportunity to study compact binaries. Multi-messenger observations from telescopes across all wavelengths and gravitational-wave observatories spanning several decades of frequency will give an unprecedented view into the structure of these systems and the composition of their components. Observations will not always be coincident and in some cases may be separated by several years, providing an avenue for simulations to better constrain binary evolution models in preparation for future observations.I will present the results of three population synthesis studies of compact binary populations carried out with the Compact Object Synthesis and Monte Carlo Investigation Code (COSMIC). I will first show how binary-black-hole formation channels can be understood with LISA observations. I will then show how the population of double white dwarfs observed with LISA and Gaia could provide a detailed view of mass transfer and accretion. Finally, I will show that Gaia could discover thousands black holes in the Milky Way through astrometric observations, yielding view into black-hole astrophysics that is complementary to and independent from both X-ray and gravitational-wave astronomy.

An ordering heuristic to develop the binary decision diagram based on structural importance

International Nuclear Information System (INIS)

Bartlett, L.M.; Andrews, J.D.

2001-01-01

Fault tree analysis is often used to assess risks within industrial systems. The technique is commonly used although there are associated limitations in terms of accuracy and efficiency when dealing with large fault tree structures. The most recent approach to aid the analysis of the fault tree diagram is the Binary Decision Diagram (BDD) methodology. To utilise the technique the fault tree structure needs to be converted into the BDD format. Converting the fault tree requires the basic events of the tree to be placed in an ordering. The ordering of the basic events is critical to the resulting size of the BDD, and ultimately affects the performance and benefits of this technique. A number of heuristic approaches have been developed to produce an optimal ordering permutation for a specific tree. These heuristic approaches do not always yield a minimal BDD structure for all trees. This paper looks at a heuristic that is based on the structural importance measure of each basic event. Comparing the resulting size of the BDD with the smallest generated from a set of six alternative ordering heuristics, this new structural heuristic produced a BDD of smaller or equal dimension on 77% of trials

CIRCUMBINARY MAGNETOHYDRODYNAMIC ACCRETION INTO INSPIRALING BINARY BLACK HOLES

Energy Technology Data Exchange (ETDEWEB)

Noble, Scott C.; Mundim, Bruno C.; Nakano, Hiroyuki; Campanelli, Manuela; Zlochower, Yosef [Center for Computational Relativity and Gravitation, Rochester Institute of Technology, Rochester, NY 14623 (United States); Krolik, Julian H. [Physics and Astronomy Department, Johns Hopkins University, Baltimore, MD 21218 (United States); Yunes, Nicolas, E-mail: scn@astro.rit.edu [Department of Physics, Montana State University, Bozeman, MT 59717 (United States)

2012-08-10

We have simulated the magnetohydrodynamic evolution of a circumbinary disk surrounding an equal-mass binary comprising two non-spinning black holes during the period in which the disk inflow time is comparable to the binary evolution time due to gravitational radiation. Both the changing spacetime and the binary orbital evolution are described by an innovative technique utilizing high-order post-Newtonian approximations. Prior to the beginning of the inspiral, the structure of the circumbinary disk is predicted well by extrapolation from Newtonian results: a gap of roughly two binary separation radii is cleared, and matter piles up at the outer edge of this gap as inflow is retarded by torques exerted by the binary; the accretion rate is roughly half its value at large radius. During inspiral, the inner edge of the disk initially moves inward in coordination with the shrinking binary, but-as the orbital evolution accelerates-the inward motion of the disk edge falls behind the rate of binary compression. In this stage, the binary torque falls substantially, but the accretion rate decreases by only 10%-20%. When the binary separation is tens of gravitational radii, the rest-mass efficiency of disk radiation is a few percent, suggesting that supermassive binary black holes could be very luminous at this stage of their evolution. Inner disk heating is modulated at a beat frequency comparable to the binary orbital frequency. However, a disk with sufficient surface density to be luminous may be optically thick, suppressing periodic modulation of the luminosity.

Improving geothermal power plants with a binary cycle

Science.gov (United States)

Tomarov, G. V.; Shipkov, A. A.; Sorokina, E. V.

2015-12-01

The recent development of binary geothermal technology is analyzed. General trends in the introduction of low-temperature geothermal sources are summarized. The use of single-phase low-temperature geothermal fluids in binary power plants proves possible and expedient. The benefits of power plants with a binary cycle in comparison with traditional systems are shown. The selection of the working fluid is considered, and the influence of the fluid's physicochemical properties on the design of the binary power plant is discussed. The design of binary power plants is based on the chemical composition and energy potential of the geothermal fluids and on the landscape and climatic conditions at the intended location. Experience in developing a prototype 2.5 MW Russian binary power unit at Pauzhetka geothermal power plant (Kamchatka) is outlined. Most binary systems are designed individually for a specific location. Means of improving the technology and equipment at binary geothermal power plants are identified. One option is the development of modular systems based on several binary systems that employ the heat from the working fluid at different temperatures.

Formation and Evolution of X-ray Binaries

Science.gov (United States)

Fragkos, Anastasios

X-ray binaries - mass-transferring binary stellar systems with compact object accretors - are unique astrophysical laboratories. They carry information about many complex physical processes such as star formation, compact object formation, and evolution of interacting binaries. My thesis work involves the study of the formation and evolution of Galactic and extra-galacticX-ray binaries using both detailed and realistic simulation tools, and population synthesis techniques. I applied an innovative analysis method that allows the reconstruction of the full evolutionary history of known black hole X-ray binaries back to the time of compact object formation. This analysis takes into account all the available observationally determined properties of a system, and models in detail four of its evolutionary evolutionary phases: mass transfer through the ongoing X-ray phase, tidal evolution before the onset of Roche-lobe overflow, motion through the Galactic potential after the formation of the black hole, and binary orbital dynamics at the time of core collapse. Motivated by deep extra-galactic Chandra survey observations, I worked on population synthesis models of low-mass X-ray binaries in the two elliptical galaxies NGC3379 and NGC4278. These simulations were targeted at understanding the origin of the shape and normalization of the observed X-ray luminosity functions. In a follow up study, I proposed a physically motivated prescription for the modeling of transient neutron star low-mass X-ray binary properties, such as duty cycle, outburst duration and recurrence time. This prescription enabled the direct comparison of transient low-mass X-ray binary population synthesis models to the Chandra X-ray survey of the two ellipticals NGC3379 and NGC4278. Finally, I worked on population synthesismodels of black holeX-ray binaries in the MilkyWay. This work was motivated by recent developments in observational techniques for the measurement of black hole spin magnitudes in

Perceptions of randomness in binary sequences: Normative, heuristic, or both?

Science.gov (United States)

Reimers, Stian; Donkin, Chris; Le Pelley, Mike E

2018-03-01

When people consider a series of random binary events, such as tossing an unbiased coin and recording the sequence of heads (H) and tails (T), they tend to erroneously rate sequences with less internal structure or order (such as HTTHT) as more probable than sequences containing more structure or order (such as HHHHH). This is traditionally explained as a local representativeness effect: Participants assume that the properties of long sequences of random outcomes-such as an equal proportion of heads and tails, and little internal structure-should also apply to short sequences. However, recent theoretical work has noted that the probability of a particular sequence of say, heads and tails of length n, occurring within a larger (>n) sequence of coin flips actually differs by sequence, so P(HHHHH) rational norms based on limited experience. We test these accounts. Participants in Experiment 1 rated the likelihood of occurrence for all possible strings of 4, 5, and 6 observations in a sequence of coin flips. Judgments were better explained by representativeness in alternation rate, relative proportion of heads and tails, and sequence complexity, than by objective probabilities. Experiments 2 and 3 gave similar results using incentivized binary choice procedures. Overall the evidence suggests that participants are not sensitive to variation in objective probabilities of a sub-sequence occurring; they appear to use heuristics based on several distinct forms of representativeness. Copyright © 2017 Elsevier B.V. All rights reserved.

Nitrosonium complexes of organic compounds. Structure and reactivity

International Nuclear Information System (INIS)

Borodkin, Gennady I; Shubin, Vyacheslav G

2001-01-01

Data on the structures and reactivities of nitrosonium complexes of organic compounds are systematised and generalised. The characteristic features of the electronic structure of the NO + cation are responsible for a wide structural variety of nitrosonium complexes. Reactions of nitrosonium complexes are described. The bibliography includes 172 references.

Development and clinical evaluation of a novel immunoassay for the binary complex of IGF-I and IGF-binding protein-1 in human serum

DEFF Research Database (Denmark)

Frystyk, Jan; Højlund, Kurt; Rasmussen, Kirsten Nyborg

2002-01-01

Correlation studies have suggested that IGF-binding protein (IGFBP)-1 is a dynamic regulator of free IGF-I. To further study this, we developed a monoclonal immunofluorometric assay specific for the binary complex of IGF-I and IGFBP-1 in human serum. An IGFBP-1 antibody, which recognizes all...... phospho-forms of IGFBP-1, was used for coating. An europium-labeled IGF-I antibody served as tracer. Assay incubation was performed at conditions approaching those in vivo (i.e. pH 7.4, 37 C). The assay was highly specific: no signal was obtained unless both IGF-I and IGFBP-1 were present and neither...

Molecular dynamics study of amorphous pocket formation in Si at low energies and its application to improve binary collision models

International Nuclear Information System (INIS)

Santos, Ivan; Marques, Luis A.; Pelaz, Lourdes; Lopez, Pedro

2007-01-01

In this paper, we present classical molecular dynamics results about the formation of amorphous pockets in silicon for energy transfers below the displacement threshold. While in binary collision simulations ions with different masses generate the same number of Frenkel pairs for the same deposited nuclear energy, in molecular dynamics simulations the amount of damage and its complexity increase with ion mass. We demonstrate that low-energy transfers to target atoms are able to generate complex damage structures. We have determined the conditions that have to be fulfilled to produce amorphous pockets, showing that the order-disorder transition depends on the particular competition between melting and heat diffusion processes. We have incorporated these molecular dynamics results in an improved binary collision model that is able to provide a good description of damage with a very low computational cost

Adaptable recursive binary entropy coding technique

Science.gov (United States)

Kiely, Aaron B.; Klimesh, Matthew A.

2002-07-01

We present a novel data compression technique, called recursive interleaved entropy coding, that is based on recursive interleaving of variable-to variable length binary source codes. A compression module implementing this technique has the same functionality as arithmetic coding and can be used as the engine in various data compression algorithms. The encoder compresses a bit sequence by recursively encoding groups of bits that have similar estimated statistics, ordering the output in a way that is suited to the decoder. As a result, the decoder has low complexity. The encoding process for our technique is adaptable in that each bit to be encoded has an associated probability-of-zero estimate that may depend on previously encoded bits; this adaptability allows more effective compression. Recursive interleaved entropy coding may have advantages over arithmetic coding, including most notably the admission of a simple and fast decoder. Much variation is possible in the choice of component codes and in the interleaving structure, yielding coder designs of varying complexity and compression efficiency; coder designs that achieve arbitrarily small redundancy can be produced. We discuss coder design and performance estimation methods. We present practical encoding and decoding algorithms, as well as measured performance results.

Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides

Science.gov (United States)

Hinuma, Yoyo; Hayashi, Hiroyuki; Kumagai, Yu; Tanaka, Isao; Oba, Fumiyasu

2017-09-01

High-throughput first-principles calculations based on density functional theory (DFT) are a powerful tool in data-oriented materials research. The choice of approximation to the exchange-correlation functional is crucial as it strongly affects the accuracy of DFT calculations. This study compares performance of seven approximations, six of which are based on Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) with and without Hubbard U and van der Waals corrections (PBE, PBE+U, PBED3, PBED3+U, PBEsol, and PBEsol+U), and the strongly constrained and appropriately normed (SCAN) meta-GGA on the energetics and crystal structure of elementary substances and binary oxides. For the latter, only those with closed-shell electronic structures are considered, examples of which include C u2O , A g2O , MgO, ZnO, CdO, SnO, PbO, A l2O3 , G a2O3 , I n2O3 , L a2O3 , B i2O3 , Si O2 , Sn O2 , Pb O2 , Ti O2 , Zr O2 , Hf O2 , V2O5 , N b2O5 , T a2O5 , Mo O3 , and W O3 . Prototype crystal structures are selected from the Inorganic Crystal Structure Database (ICSD) and cation substitution is used to make a set of existing and hypothetical oxides. Two indices are proposed to quantify the extent of lattice and internal coordinate relaxation during a calculation. The former is based on the second invariant and determinant of the transformation matrix of basis vectors from before relaxation to after relaxation, and the latter is derived from shifts of internal coordinates of atoms in the unit cell. PBED3, PBEsol, and SCAN reproduce experimental lattice parameters of elementary substances and oxides well with few outliers. Notably, PBEsol and SCAN predict the lattice parameters of low dimensional structures comparably well with PBED3, even though these two functionals do not explicitly treat van der Waals interactions. SCAN gives formation enthalpies and Gibbs free energies closest to experimental data, with mean errors (MEs) of 0.01 and -0.04 eV, respectively, and root

Non-dominated sorting binary differential evolution for the multi-objective optimization of cascading failures protection in complex networks

International Nuclear Information System (INIS)

Li, Y.F.; Sansavini, G.; Zio, E.

2013-01-01

A number of research works have been devoted to the optimization of protection strategies (e.g. transmission line switch off) of critical infrastructures (e.g. power grids, telecommunication networks, computer networks, etc) to avoid cascading failures. This work aims at improving a previous optimization approach proposed by some of the authors [1], based on the modified binary differential evolution (MBDE) algorithm. The improvements are three-fold: (1) in the optimization problem formulation, we introduce a third objective function to minimize the impacts of the switching off operations onto the existing network topology; (2) in the optimization problem formulation, we use the final results of cascades, rather than only a short horizon of one step cascading, to evaluate the effects of the switching off strategies; (3) in the optimization algorithm, the fast non-dominated sorting mechanisms are incorporated into the MBDE algorithm: a new algorithm, namely non-dominated sorting binary differential evolution algorithm (NSBDE) is then proposed. The numerical application to the topological structure of the 380 kV Italian power transmission network proves the benefits of the improvements.

Mesoscopic Community Structure of Financial Markets Revealed by Price and Sign Fluctuations.

Science.gov (United States)

Almog, Assaf; Besamusca, Ferry; MacMahon, Mel; Garlaschelli, Diego

2015-01-01

The mesoscopic organization of complex systems, from financial markets to the brain, is an intermediate between the microscopic dynamics of individual units (stocks or neurons, in the mentioned cases), and the macroscopic dynamics of the system as a whole. The organization is determined by "communities" of units whose dynamics, represented by time series of activity, is more strongly correlated internally than with the rest of the system. Recent studies have shown that the binary projections of various financial and neural time series exhibit nontrivial dynamical features that resemble those of the original data. This implies that a significant piece of information is encoded into the binary projection (i.e. the sign) of such increments. Here, we explore whether the binary signatures of multiple time series can replicate the same complex community organization of the financial market, as the original weighted time series. We adopt a method that has been specifically designed to detect communities from cross-correlation matrices of time series data. Our analysis shows that the simpler binary representation leads to a community structure that is almost identical with that obtained using the full weighted representation. These results confirm that binary projections of financial time series contain significant structural information.

Mesoscopic Community Structure of Financial Markets Revealed by Price and Sign Fluctuations.

Directory of Open Access Journals (Sweden)

Assaf Almog

Full Text Available The mesoscopic organization of complex systems, from financial markets to the brain, is an intermediate between the microscopic dynamics of individual units (stocks or neurons, in the mentioned cases, and the macroscopic dynamics of the system as a whole. The organization is determined by "communities" of units whose dynamics, represented by time series of activity, is more strongly correlated internally than with the rest of the system. Recent studies have shown that the binary projections of various financial and neural time series exhibit nontrivial dynamical features that resemble those of the original data. This implies that a significant piece of information is encoded into the binary projection (i.e. the sign of such increments. Here, we explore whether the binary signatures of multiple time series can replicate the same complex community organization of the financial market, as the original weighted time series. We adopt a method that has been specifically designed to detect communities from cross-correlation matrices of time series data. Our analysis shows that the simpler binary representation leads to a community structure that is almost identical with that obtained using the full weighted representation. These results confirm that binary projections of financial time series contain significant structural information.

Trialkylphosphine-stabilized copper(I) gallium(III) phenylchalcogenolate complexes: crystal structures and generation of ternary semiconductors by thermolysis.

Science.gov (United States)

Kluge, Oliver; Krautscheid, Harald

2012-06-18

A series of organometallic trialkylphosphine-stabilized copper gallium phenylchalcogenolate complexes [(R(3)P)(m)Cu(n)Me(2-x)Ga(EPh)(n+x+1)] (R = Me, Et, (i)Pr, (t)Bu; E = S, Se, Te; x = 0, 1) has been prepared and structurally characterized by X-ray diffraction. From their molecular structures three groups of compounds can be distinguished: ionic compounds, ring systems, and cage structures. All these complexes contain one gallium atom bound to one or two methyl groups, whereas the number of copper atoms, and therefore the nuclearity of the complexes, is variable and depends mainly on size and amount of phosphine ligand used in synthesis. The Ga-E bonds are relatively rigid, in contrast to flexible Cu-E bonds. The lengths of the latter are controlled by the coordination number and steric influences. The Ga-E bond lengths depend systematically on the number of methyl groups bound to the gallium atom, with somewhat shorter bonds in monomethyl compounds compared to dimethyl compounds. Quantum chemical computations reproduce this trend and show furthermore that the rotation of one phenyl group around the Ga-E bond is a low energy process with two distinct minima, corresponding to two different conformations found experimentally. Mixtures of different types of chalcogen atoms on molecular scale are possible, and then ligand exchange reactions in solution lead to mixed site occupation. In thermogravimetric studies the complexes were converted into the ternary semiconductors CuGaE(2). The thermolysis reaction is completed at temperatures between 250 and 400 °C, typically with lower temperatures for the heavier chalcogens. Because of significant release of Me(3)Ga during the thermolysis process, and especially in case of copper excess in the precursor complexes, binary copper chalcogenides are obtained as additional thermolysis products. Quaternary semiconductors can be obtained from mixed chalcogen precursors.

Be discs in coplanar circular binaries: Phase-locked variations of emission lines

Science.gov (United States)

Panoglou, Despina; Faes, Daniel M.; Carciofi, Alex C.; Okazaki, Atsuo T.; Baade, Dietrich; Rivinius, Thomas; Borges Fernandes, Marcelo

2018-01-01

In this paper, we present the first results of radiative transfer calculations on decretion discs of binary Be stars. A smoothed particle hydrodynamics code computes the structure of Be discs in coplanar circular binary systems for a range of orbital and disc parameters. The resulting disc configuration consists of two spiral arms, and this can be given as input into a Monte Carlo code, which calculates the radiative transfer along the line of sight for various observational coordinates. Making use of the property of steady disc structure in coplanar circular binaries, observables are computed as functions of the orbital phase. Some orbital-phase series of line profiles are given for selected parameter sets under various viewing angles, to allow comparison with observations. Flat-topped profiles with and without superimposed multiple structures are reproduced, showing, for example, that triple-peaked profiles do not have to be necessarily associated with warped discs and misaligned binaries. It is demonstrated that binary tidal effects give rise to phase-locked variability of the violet-to-red (V/R) ratio of hydrogen emission lines. The V/R ratio exhibits two maxima per cycle; in certain cases those maxima are equal, leading to a clear new V/R cycle every half orbital period. This study opens a way to identifying binaries and to constraining the parameters of binary systems that exhibit phase-locked variations induced by tidal interaction with a companion star.

Molecular investigation on the binding of Cd(II) by the binary mixtures of montmorillonite with two bacterial species

Energy Technology Data Exchange (ETDEWEB)

Du, Huihui; Qu, ChenChen; Liu, Jing; Chen, Wenli; Cai, Peng; Shi, Zhihua; Yu, Xiao-Ying; Huang, Qiaoyun

2017-10-01

Bacteria and phyllosilicate commonly coexist in the natural environment, producing various bacteria–clay complexes that are capable of immobilizing heavy metals, such as cadmium, via adsorption. However, the molecular binding mechanisms of heavy metals on these complex aggregates still remain poorly understood. This study investigated Cd adsorption on Gram-positive B. subtilis, Gram-negative P. putida and their binary mixtures with montmorillonite (Mont) using the Cd K-edge x-ray absorption spectroscopy (XAS) and isothermal titration calorimetry (ITC). We observed a lower adsorptive capacity for P. putida than B. subtilis, whereas P. putida–Mont and B. subtilis–Mont mixtures showed nearly identical Cd adsorption behaviors. EXAFS fits and ITC measurements demonstrated more phosphoryl binding of Cd in P. putida. The decreased coordination of C atoms around Cd and the reduced adsorption enthalpies and entropies for the binary mixtures compared to that for individual bacteria suggested that the bidentate Cd-carboxyl complexes in pure bacteria systems were probably transformed into monodentate complexes that acted as ionic bridging structure between bacteria and motmorillonite. This study clarified the binding mechanism of Cd at the bacteria–phyllosilicate interfaces from a molecular and thermodynamic view, which has an environmental significance for predicting the chemical behavior of trace elements in complex mineral–organic systems.

Near-Earth Asteroid 2005 CR37: Radar Images and Photometry of a Candidate Contact Binary

Science.gov (United States)

Benner, Lance A. M.; Nolan, Michael C.; Ostro, Steven J.; Giorgini, Jon D.; Pray, Donald P.; Harris, Alan W.; Magri, Christopher; Margot, Jean-Luc

2006-01-01

Arecibo (2380 MHz, 13 cm) radar observations of 2005 CR37 provide detailed images of a candidate contact binary: a 1.8-km-long, extremely bifurcated object. Although the asteroid's two lobes are round, there are regions of modest topographic relief, such as an elevated, 200-m-wide facet, that suggest that the lobes are geologically more complex than either coherent fragments or homogeneous rubble piles. Since January 1999, about 9% of NEAs larger than approx.200 m imaged by radar can be described as candidate contact binaries.

Complex band structure and electronic transmission eigenchannels

DEFF Research Database (Denmark)

Jensen, Anders; Strange, Mikkel; Smidstrup, Soren

2017-01-01

and complex band structure, in this case individual eigenchannel transmissions and different complex bands. We present calculations of decay constants for the two most conductive states as determined by complex band structure and standard DFT Landauer transport calculations for one semi-conductor and two...

A model of two-stream non-radial accretion for binary X-ray pulsars

International Nuclear Information System (INIS)

Lipunov, V.M.

1982-01-01

The general case of non-radial accretion is assumed to occur in real binary systems containing X-ray pulsars. The structure and the stability of the magnetosphere, the interaction between the magnetosphere and accreted matter, as well as evolution of neutron star in close binary system are examined within the framework of the two-stream model of nonradial accretion onto a magnetized neutron star. Observable parameters of X-ray pulsars are explained in terms of the model considered. (orig.)

Detecting outliers and learning complex structures with large spectroscopic surveys - a case study with APOGEE stars

Science.gov (United States)

Reis, Itamar; Poznanski, Dovi; Baron, Dalya; Zasowski, Gail; Shahaf, Sahar

2018-05-01

In this work, we apply and expand on a recently introduced outlier detection algorithm that is based on an unsupervised random forest. We use the algorithm to calculate a similarity measure for stellar spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE). We show that the similarity measure traces non-trivial physical properties and contains information about complex structures in the data. We use it for visualization and clustering of the data set, and discuss its ability to find groups of highly similar objects, including spectroscopic twins. Using the similarity matrix to search the data set for objects allows us to find objects that are impossible to find using their best-fitting model parameters. This includes extreme objects for which the models fail, and rare objects that are outside the scope of the model. We use the similarity measure to detect outliers in the data set, and find a number of previously unknown Be-type stars, spectroscopic binaries, carbon rich stars, young stars, and a few that we cannot interpret. Our work further demonstrates the potential for scientific discovery when combining machine learning methods with modern survey data.

Formation of the wide asynchronous binary asteroid population

International Nuclear Information System (INIS)

Jacobson, Seth A.; Scheeres, Daniel J.; McMahon, Jay

2014-01-01

We propose and analyze a new mechanism for the formation of the wide asynchronous binary population. These binary asteroids have wide semimajor axes relative to most near-Earth and main belt asteroid systems. Confirmed members have rapidly rotating primaries and satellites that are not tidally locked. Previously suggested formation mechanisms from impact ejecta, from planetary flybys, and directly from rotational fission events cannot satisfy all of the observations. The newly hypothesized mechanism works as follows: (1) these systems are formed from rotational fission, (2) their satellites are tidally locked, (3) their orbits are expanded by the binary Yarkovsky-O'Keefe-Radzievskii-Paddack (BYORP) effect, (4) their satellites desynchronize as a result of the adiabatic invariance between the libration of the secondary and the mutual orbit, and (5) the secondary avoids resynchronization because of the YORP effect. This seemingly complex chain of events is a natural pathway for binaries with satellites that have particular shapes, which define the BYORP effect torque that acts on the system. After detailing the theory, we analyze each of the wide asynchronous binary members and candidates to assess their most likely formation mechanism. Finally, we suggest possible future observations to check and constrain our hypothesis.

Wind accretion and formation of disk structures in symbiotic binary systems

Science.gov (United States)

de Val-Borro, M.; Karovska, M.; Sasselov, D. D.; Stone, J. M.

2015-05-01

We investigate gravitationally focused wind accretion in binary systems consisting of an evolved star with a gaseous envelope and a compact accreting companion. We study the mass accretion and formation of an accretion disk around the secondary caused by the strong wind from the primary late-type component using global 2D and 3D hydrodynamic numerical simulations. In particular, the dependence of the mass accretion rate on the mass loss rate, wind temperature and orbital parameters of the system is considered. For a typical slow and massive wind from an evolved star the mass transfer through a focused wind results in rapid infall onto the secondary. A stream flow is created between the stars with accretion rates of a 2--10% percent of the mass loss from the primary. This mechanism could be an important method for explaining periodic modulations in the accretion rates for a broad range of interacting binary systems and fueling of a large population of X-ray binary systems. We test the plausibility of these accretion flows indicated by the simulations by comparing with observations of the symbiotic variable system CH Cyg.

Robustness and structure of complex networks

Science.gov (United States)

Shao, Shuai

This dissertation covers the two major parts of my PhD research on statistical physics and complex networks: i) modeling a new type of attack -- localized attack, and investigating robustness of complex networks under this type of attack; ii) discovering the clustering structure in complex networks and its influence on the robustness of coupled networks. Complex networks appear in every aspect of our daily life and are widely studied in Physics, Mathematics, Biology, and Computer Science. One important property of complex networks is their robustness under attacks, which depends crucially on the nature of attacks and the structure of the networks themselves. Previous studies have focused on two types of attack: random attack and targeted attack, which, however, are insufficient to describe many real-world damages. Here we propose a new type of attack -- localized attack, and study the robustness of complex networks under this type of attack, both analytically and via simulation. On the other hand, we also study the clustering structure in the network, and its influence on the robustness of a complex network system. In the first part, we propose a theoretical framework to study the robustness of complex networks under localized attack based on percolation theory and generating function method. We investigate the percolation properties, including the critical threshold of the phase transition pc and the size of the giant component Pinfinity. We compare localized attack with random attack and find that while random regular (RR) networks are more robust against localized attack, Erdoḧs-Renyi (ER) networks are equally robust under both types of attacks. As for scale-free (SF) networks, their robustness depends crucially on the degree exponent lambda. The simulation results show perfect agreement with theoretical predictions. We also test our model on two real-world networks: a peer-to-peer computer network and an airline network, and find that the real-world networks

Complex structures in the Nash-Moser category

DEFF Research Database (Denmark)

Gravesen, Jens

1989-01-01

Working in the Nash-Moser category, it is shown that the harmonic and holomorphic differentials and the Weierstrass points on a closed Riemann surface depend smoothly on the complex structure. It is also shown that the space of complex structures on any compact surface forms a principal bundle over...

Formation of a contact binary star system

International Nuclear Information System (INIS)

Mullen, E.F.F.

1974-01-01

The process of forming a contact binary star system is investigated in the light of current knowledge of the W Ursae Majoris type eclipsing binaries and the current rotational braking theories for contracting stars. A preliminary stage of mass transfer is proposed and studied through the use of a computer program which calculates evolutionary model sequences. The detailed development of both stars is followed in these calculations, and findings regarding the internal structure of the star which is receiving the mass are presented. Relaxation of the mass-gaining star is also studied; for these stars of low mass and essentially zero age, the star eventually settles to a state very similar to a zero-age main sequence star of the new mass. A contact system was formed through these calculations; it exhibits the general properties of a W Ursae Majoris system. The initial masses selected for the calculation were 1.29 M/sub solar mass/ and 0.56 M/sub solar mass/. An initial mass transfer rate of about 10 -10 solar masses per year gradually increased to about 10 -8 solar masses per year. After about 2.5 x 10 7 years, the less massive star filled its Roche lobe and an initial contact system was obtained. The final masses were 1.01359 M/sub solar mass/ and 0.83641 M/sub solar mass/. The internal structure of the secondary component is considerably different from that of a main sequence star of the same mass

Complex photonic structures

International Nuclear Information System (INIS)

Wiersma, D.S.

2013-01-01

We discuss in detail the optical properties of complex photonic structures, in particular those with a dominating disorder component. We will focus on their general transport properties, as well as on their use as light sources (random lasers). The basis for the theory of multiple light scattering in random systems will be explained as a tutorial introduction to the topic, including the explicit calculation of the effect of coherent backscattering. We will discuss various structures that go beyond regular disordered ones, in particular Levy glasses, liquid crystals, and quasicrystals, and show examples of their optical properties both from a conceptual and practical point of view.

Structural design principles of complex bird songs: a network-based approach.

Directory of Open Access Journals (Sweden)

Kazutoshi Sasahara

Full Text Available Bird songs are acoustic communication signals primarily used in male-male aggression and in male-female attraction. These are often monotonous patterns composed of a few phrases, yet some birds have extremely complex songs with a large phrase repertoire, organized in non-random fashion with discernible patterns. Since structure is typically associated with function, the structures of complex bird songs provide important clues to the evolution of animal communication systems. Here we propose an efficient network-based approach to explore structural design principles of complex bird songs, in which the song networks--transition relationships among different phrases and the related structural measures--are employed. We demonstrate how this approach works with an example using California Thrasher songs, which are sequences of highly varied phrases delivered in succession over several minutes. These songs display two distinct features: a large phrase repertoire with a 'small-world' architecture, in which subsets of phrases are highly grouped and linked with a short average path length; and a balanced transition diversity amongst phrases, in which deterministic and non-deterministic transition patterns are moderately mixed. We explore the robustness of this approach with variations in sample size and the amount of noise. Our approach enables a more quantitative study of global and local structural properties of complex bird songs than has been possible to date.

A new entropy based method for computing software structural complexity

International Nuclear Information System (INIS)

Roca, Jose L.

2002-01-01

In this paper a new methodology for the evaluation of software structural complexity is described. It is based on the entropy evaluation of the random uniform response function associated with the so called software characteristic function SCF. The behavior of the SCF with the different software structures and their relationship with the number of inherent errors is investigated. It is also investigated how the entropy concept can be used to evaluate the complexity of a software structure considering the SCF as a canonical representation of the graph associated with the control flow diagram. The functions, parameters and algorithms that allow to carry out this evaluation are also introduced. After this analytic phase follows the experimental phase, verifying the consistency of the proposed metric and their boundary conditions. The conclusion is that the degree of software structural complexity can be measured as the entropy of the random uniform response function of the SCF. That entropy is in direct relationship with the number of inherent software errors and it implies a basic hazard failure rate for it, so that a minimum structure assures a certain stability and maturity of the program. This metric can be used, either to evaluate the product or the process of software development, as development tool or for monitoring the stability and the quality of the final product. (author)

On the Binary Nature of Massive Blue Hypergiants: High-resolution X-Ray Spectroscopy Suggests That Cyg OB2 12 is a Colliding Wind Binary

Energy Technology Data Exchange (ETDEWEB)

Oskinova, L. M.; Hamann, W.-R.; Shenar, T.; Sander, A. A. C.; Todt, H.; Hainich, R. [Institute for Physics and Astronomy, University Potsdam, D-14476 Potsdam (Germany); Huenemoerder, D. P. [Massachusetts Institute of Technology, Kavli Institute for Astrophysics and Space Research, 70 Vassar St., Cambridge, MA 02139 (United States); Ignace, R., E-mail: lida@astro.physik.uni-potsdam.de [Department of Physics and Astronomy, East Tennessee State University, Johnson City, TN 37663 (United States)

2017-08-10

The blue hypergiant Cyg OB2 12 (B3Ia{sup +}) is a representative member of the class of very massive stars in a poorly understood evolutionary stage. We obtained its high-resolution X-ray spectrum using the Chandra observatory. PoWR model atmospheres were calculated to provide realistic wind opacities and to establish the wind density structure. We find that collisional de-excitation is the dominant mechanism depopulating the metastable upper levels of the forbidden lines of the He-like ions Si xiv and Mg xii. Comparison between the model and observations reveals that X-ray emission is produced in a dense plasma, which could reside only at the photosphere or in a colliding wind zone between binary components. The observed X-ray spectra are well-fitted by thermal plasma models, with average temperatures in excess of 10 MK. The wind speed in Cyg OB2 12 is not high enough to power such high temperatures, but the collision of two winds in a binary system can be sufficient. We used archival data to investigate the X-ray properties of other blue hypergiants. In general, stars of this class are not detected as X-ray sources. We suggest that our new Chandra observations of Cyg OB2 12 can be best explained if Cyg OB2 12 is a colliding wind binary possessing a late O-type companion. This makes Cyg OB2 12 only the second binary system among the 16 known Galactic hypergiants. This low binary fraction indicates that the blue hypergiants are likely products of massive binary evolution during which they either accreted a significant amount of mass or already merged with their companions.

FORMATION REGULARITIES OF PHASE COMPOSITION, STRUCTURE AND PROPERTIES DURING MECHANICAL ALLOYING OF BINARY ALUMINUM COMPOSITES

Directory of Open Access Journals (Sweden)

F. G. Lovshenko

2015-01-01

Full Text Available The paper presents investigation results pertaining to  ascertainment of formation regularities of phase composition and structure during mechanical alloying of binary aluminium composites/substances. The invetigations have been executed while applying a wide range of methods, devices and equipment used in modern material science. The obtained data complement each other. It has been established that presence of oxide and hydro-oxide films on aluminium powder  and introduction of surface-active substance in the composite have significant effect on mechanically and thermally activated phase transformations and properties of semi-finished products.  Higher fatty acids have been used as a surface active substance.The mechanism of mechanically activated solid solution formation has been identified. Its essence is  a formation of  specific quasi-solutions at the initial stage of processing. Mechanical and chemical interaction between components during formation of other phases has taken place along with dissolution  in aluminium while processing powder composites. Granule basis is formed according to the dynamic recrystallization mechanism and possess submicrocrystal structural type with the granule dimension basis less than 100 nm and the grains are divided in block size of not more than 20 nm with oxide inclusions of 10–20 nm size.All the compounds  with the addition of  surface-active substances including aluminium powder without alloying elements obtained by processing in mechanic reactor are disperse hardened. In some cases disperse hardening is accompanied by dispersive and solid solution hardnening process. Complex hardening predetermines a high temperature of recrystallization in mechanically alloyed compounds,  its value exceeds 400 °C.

Anionic solid lipid nanoparticles supported on protamine/DNA complexes

International Nuclear Information System (INIS)

Ye Jiesheng; Liu Chunxi; Chen Zhijin; Zhang Na; Wang Aihua

2008-01-01

The objective of this study was to design novel anionic ternary nanoparticles for gene delivery. These ternary nanoparticles were equipped with protamine/DNA binary complexes (150-200 nm) as the support, and the anionic formation was achieved by absorption of anionic solid lipid nanoparticles (≤20 nm) onto the surface of the binary complexes. The small solid lipid nanoparticles (SLNs) were prepared by a modified film dispersion-ultrasonication method, and adsorption of the anionic SLNs onto the binary complexes was typically carried out in water via electrostatic interaction. The formulated ternary nanoparticles were found to be relatively uniform in size (257.7 ± 10.6 nm) with a 'bumpy' surface, and the surface charge inversion from 19.28 ± 1.14 mV to -17.16 ± 1.92 mV could be considered as evidence of the formation of the ternary nanoparticles. The fluorescence intensity measurements from three batches of the ternary nanoparticles gave a mean adsorption efficiency of 96.75 ± 1.13%. Circular dichroism spectra analysis showed that the protamine/DNA complexes had been coated by small SLNs, and that the anionic ternary nanoparticles formed did not disturb the construction of the binary complexes. SYBR Green I analysis suggested that the ternary nanoparticles could protect the DNA from nuclease degradation, and cell viability assay results showed that they exhibit lower cytotoxicity to A549 cells compared with the binary complexes and lipofectamine. The transfection efficiency of the ternary nanoparticles was better than that of naked DNA and the binary complexes, and almost equal to that of lipofectamine/DNA complexes, as revealed by inversion fluorescence microscope observation. These results indicated that the anionic ternary nanoparticles could facilitate gene transfer in cultured cells, and might alleviate the drawbacks of the conventional cationic vector/DNA complexes for gene delivery in vivo

NADP-Dependent Aldehyde Dehydrogenase from Archaeon Pyrobaculum sp.1860: Structural and Functional Features

Directory of Open Access Journals (Sweden)

Ekaterina Yu. Bezsudnova

2016-01-01

Full Text Available We present the functional and structural characterization of the first archaeal thermostable NADP-dependent aldehyde dehydrogenase AlDHPyr1147. In vitro, AlDHPyr1147 catalyzes the irreversible oxidation of short aliphatic aldehydes at 60–85°С, and the affinity of AlDHPyr1147 to the NADP+ at 60°С is comparable to that for mesophilic analogues at 25°С. We determined the structures of the apo form of AlDHPyr1147 (3.04 Å resolution, three binary complexes with the coenzyme (1.90, 2.06, and 2.19 Å, and the ternary complex with the coenzyme and isobutyraldehyde as a substrate (2.66 Å. The nicotinamide moiety of the coenzyme is disordered in two binary complexes, while it is ordered in the ternary complex, as well as in the binary complex obtained after additional soaking with the substrate. AlDHPyr1147 structures demonstrate the strengthening of the dimeric contact (as compared with the analogues and the concerted conformational flexibility of catalytic Cys287 and Glu253, as well as Leu254 and the nicotinamide moiety of the coenzyme. A comparison of the active sites of AlDHPyr1147 and dehydrogenases characterized earlier suggests that proton relay systems, which were previously proposed for dehydrogenases of this family, are blocked in AlDHPyr1147, and the proton release in the latter can occur through the substrate channel.

Modern structure of marketing communications complex

Directory of Open Access Journals (Sweden)

Hrebenyukova Elena

2015-08-01

Full Text Available The article presents the results of the desk research, in which the current structure of the marketing communications complex was analyzed. According to the results of the content analysis of scientific and educational literature in marketing it was proved that there is a certain structural asymmetry in today's complex of marketing communication: the rejection of impersonal tools and actualization of those which make possible personalized communication with the consumer.

Syntactic Parameters and a Coding Theory Perspective on Entropy and Complexity of Language Families

Directory of Open Access Journals (Sweden)

Matilde Marcolli

2016-04-01

Full Text Available We present a simple computational approach to assigning a measure of complexity and information/entropy to families of natural languages, based on syntactic parameters and the theory of error correcting codes. We associate to each language a binary string of syntactic parameters and to a language family a binary code, with code words the binary string associated to each language. We then evaluate the code parameters (rate and relative minimum distance and the position of the parameters with respect to the asymptotic bound of error correcting codes and the Gilbert–Varshamov bound. These bounds are, respectively, related to the Kolmogorov complexity and the Shannon entropy of the code and this gives us a computationally simple way to obtain estimates on the complexity and information, not of individual languages but of language families. This notion of complexity is related, from the linguistic point of view to the degree of variability of syntactic parameter across languages belonging to the same (historical family.

High-energy gamma-ray emission in compact binaries

International Nuclear Information System (INIS)

Cerutti, Benoit

2010-01-01

Four gamma-ray sources have been associated with binary systems in our Galaxy: the micro-quasar Cygnus X-3 and the gamma-ray binaries LS I +61 degrees 303, LS 5039 and PSR B1259-63. These systems are composed of a massive companion star and a compact object of unknown nature, except in PSR B1259-63 where there is a young pulsar. I propose a comprehensive theoretical model for the high-energy gamma-ray emission and variability in gamma-ray emitting binaries. In this model, the high-energy radiation is produced by inverse Compton scattering of stellar photons on ultra-relativistic electron-positron pairs injected by a young pulsar in gamma-ray binaries and in a relativistic jet in micro-quasars. Considering anisotropic inverse Compton scattering, pair production and pair cascade emission, the TeV gamma-ray emission is well explained in LS 5039. Nevertheless, this model cannot account for the gamma-ray emission in LS I +61 degrees 303 and PSR B1259-63. Other processes should dominate in these complex systems. In Cygnus X-3, the gamma-ray radiation is convincingly reproduced by Doppler-boosted Compton emission of pairs in a relativistic jet. Gamma-ray binaries and micro-quasars provide a novel environment for the study of pulsar winds and relativistic jets at very small spatial scales. (author)

Clonal sets of a binary relation

Science.gov (United States)

Zedam, Lemnaouar; Pérez-Fernández, Raúl; Bouremel, Hassane; De Baets, Bernard

2018-05-01

In a recent paper, we have introduced the notion of clone relation of a given binary relation. Intuitively, two elements are said to be "clones" if they are related in the same way w.r.t. every other element. In this paper, we generalize this notion from pairs of elements to sets of elements of any cardinality, resulting in the introduction of clonal sets. We investigate the most important properties of clonal sets, paying particular attention to the introduction of the clonal closure operator, to the analysis of the (lattice) structure of the set of clonal sets and to a distance metric expressing how close two elements are to being clones.

Combustion-related studies using weakly-bonded complexes

Energy Technology Data Exchange (ETDEWEB)

Beaudet, R.A. [Univ. of Southern California, Los Angeles (United States)

1993-12-01

Binary van der Waals complexes involving species of interest to combustion research are prepared in supersonic free-jet expansions, and their photochemical and photophysical properties are probed by using IR tunable diode laser (TDL) spectroscopy. In the first phase, geometries and other molecular properties are being determined from vibration-rotational spectra. In the second phase, these complexes will be used as precursors to study photoinitiated reactions in precursor geometry limited environments. Two complementary classes of binary complexes are being investigated. The first involves molecular oxygen and hydrogen containing constituents (e.g. O{sub 2}-HCN, O{sub 2}-HF, O{sub 2}-HCl, O{sub 2}-HBr, O{sub 2}-HI and O{sub 2}-hydrocarbons). These species are interesting candidates for study since upon photodissociating the hydride portion, the reaction H and O{sub 2} via the vibrationally excited HO{sub 2} intermediate can conceivably be studied, (e.g. BrH-O{sub 2} + hv(193 nm) {yields} Br-H-O{sub 2} {yields} Br + HO{sub 2} {yields} Br + OH + O). High resolution IR spectroscopy of such complexes have not been obtained previously and the structural information deriving from IR spectra is certainly very useful for better designing and understanding photoinitiated reactions that occur in these complexes.

Structure and reactivity of a mononuclear gold(II) complex

Science.gov (United States)

Preiß, Sebastian; Förster, Christoph; Otto, Sven; Bauer, Matthias; Müller, Patrick; Hinderberger, Dariush; Hashemi Haeri, Haleh; Carella, Luca; Heinze, Katja

2017-12-01

Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn-Teller distortion enabled by the relativistically lowered 6s orbital of gold. The reactivity of this gold(II) complex towards dioxygen, nitrosobenzene and acids is discussed. This study provides insight on the ionic radius of gold(II), and allows it to be placed within the homologous series of nd9 Cu/Ag/Au divalent ions and the 5d8/9/10 Pt/Au/Hg 'relativistic' triad in the periodic table.

Pulsars in binary systems: probing binary stellar evolution and general relativity.

Science.gov (United States)

Stairs, Ingrid H

2004-04-23

Radio pulsars in binary orbits often have short millisecond spin periods as a result of mass transfer from their companion stars. They therefore act as very precise, stable, moving clocks that allow us to investigate a large set of otherwise inaccessible astrophysical problems. The orbital parameters derived from high-precision binary pulsar timing provide constraints on binary evolution, characteristics of the binary pulsar population, and the masses of neutron stars with different mass-transfer histories. These binary systems also test gravitational theories, setting strong limits on deviations from general relativity. Surveys for new pulsars yield new binary systems that increase our understanding of all these fields and may open up whole new areas of physics, as most spectacularly evidenced by the recent discovery of an extremely relativistic double-pulsar system.

A binary mixture operated heat pump

International Nuclear Information System (INIS)

Hihara, E.; Saito, T.

1991-01-01

This paper evaluates the performance of possible binary mixtures as working fluids in high- temperature heat pump applications. The binary mixtures, which are potential alternatives of fully halogenated hydrocarbons, include HCFC142b/HCFC22, HFC152a/HCFC22, HFC134a/HCFC22. The performance of the mixtures is estimated by a thermodynamic model and a practical model in which the heat transfer is considered in heat exchangers. One of the advantages of binary mixtures is a higher coefficient of performance, which is caused by the small temperature difference between the heat-sink/-source fluid and the refrigerant. The mixture HCFC142b/HCFC22 is promising from the stand point of thermodynamic performance

Trojan Binaries

Science.gov (United States)

Noll, K. S.

2017-12-01

The Jupiter Trojans, in the context of giant planet migration models, can be thought of as an extension of the small body populations found beyond Neptune in the Kuiper Belt. Binaries are a distinctive feature of small body populations in the Kuiper Belt with an especially high fraction apparent among the brightest Cold Classicals. The binary fraction, relative sizes, and separations in the dynamically excited populations (Scattered, Resonant) reflects processes that may have eroded a more abundant initial population. This trend continues in the Centaurs and Trojans where few binaries have been found. We review new evidence including a third resolved Trojan binary and lightcurve studies to understand how the Trojans are related to the small body populations that originated in the outer protoplanetary disk.

Importance analysis based on logical differential calculus and Binary Decision Diagram

International Nuclear Information System (INIS)

Zaitseva, Elena; Levashenko, Vitaly; Kostolny, Jozef

2015-01-01

System availability evaluation, sensitivity analysis, Importance Measures, and optimal design are important issues that have become research topics for reliability engineering. There are different mathematical approaches to the development of these topics. The structure function based approach is one of them. Structure function enables one to analyse a system of any complexity. But computational complexity of structure function based methods is time consuming for large-scale networks. We propose to use two mathematical approaches for decision to this problem for system importance analysis. The first of them is Direct Partial Boolean Derivative. New equations for calculating the Importance Measures are developed in terms of these derivatives. The second is Binary Decision Diagram (BDD), that supports efficient manipulation of Boolean algebra. Two algorithms for calculating Direct Partial Boolean Derivative based on BDD of structure function are proposed in this paper. The experimental results show the efficiency of new algorithms for calculating Direct Partial Boolean Derivative and Importance Measures. - Highlights: • New approach for calculation of Importance Measures is proposed. • Direct Partial Boolean Derivatives are used for calculation of Importance Measures. • New equations for Importance Measures are obtained. • New algorithm to calculate Direct Partial Boolean Derivatives by BDD is developed

Crystallization, data collection and processing of the chymotrypsin–BTCI–trypsin ternary complex

Energy Technology Data Exchange (ETDEWEB)

Esteves, Gisele Ferreira; Teles, Rozeni Chagas Lima; Cavalcante, Nayara Silva; Neves, David; Ventura, Manuel Mateus [Laboratório de Biofísica, Instituto de Ciências Biológicas, Universidade de Brasília, 70910-900 Brasília-DF (Brazil); Barbosa, João Alexandre Ribeiro Gonçalves, E-mail: joao@lnls.br [Center for Structural Molecular Biology (CeBiME), Brazilian Synchrotron Light Laboratory (LNLS), CP 6192, 13083-970 Campinas-SP (Brazil); Freitas, Sonia Maria de, E-mail: joao@lnls.br [Laboratório de Biofísica, Instituto de Ciências Biológicas, Universidade de Brasília, 70910-900 Brasília-DF (Brazil)

2007-12-01

A ternary complex of the proteinase inhibitor (BTCI) with trypsin and chymotrypsin was crystallized and its crystal structure was solved by molecular replacement. A ternary complex of the black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) with trypsin and chymotrypsin was crystallized by the sitting-drop vapour-diffusion method with 0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol 6000 and 5%(v/v) 2-methyl-2,4-pentanediol as precipitant. BTCI is a small protein with 83 amino-acid residues isolated from Vigna unguiculata seeds and is able to inhibit trypsin and chymotrypsin simultaneously by forming a stable ternary complex. X-ray data were collected from a single crystal of the trypsin–BTCI–chymotrypsin ternary complex to 2.7 Å resolution under cryogenic conditions. The structure of the ternary complex was solved by molecular replacement using the crystal structures of the BTCI–trypsin binary complex (PDB code) and chymotrypsin (PDB code) as search models.

Crystallization, data collection and processing of the chymotrypsin–BTCI–trypsin ternary complex

International Nuclear Information System (INIS)

Esteves, Gisele Ferreira; Teles, Rozeni Chagas Lima; Cavalcante, Nayara Silva; Neves, David; Ventura, Manuel Mateus; Barbosa, João Alexandre Ribeiro Gonçalves; Freitas, Sonia Maria de

2007-01-01

A ternary complex of the proteinase inhibitor (BTCI) with trypsin and chymotrypsin was crystallized and its crystal structure was solved by molecular replacement. A ternary complex of the black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) with trypsin and chymotrypsin was crystallized by the sitting-drop vapour-diffusion method with 0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol 6000 and 5%(v/v) 2-methyl-2,4-pentanediol as precipitant. BTCI is a small protein with 83 amino-acid residues isolated from Vigna unguiculata seeds and is able to inhibit trypsin and chymotrypsin simultaneously by forming a stable ternary complex. X-ray data were collected from a single crystal of the trypsin–BTCI–chymotrypsin ternary complex to 2.7 Å resolution under cryogenic conditions. The structure of the ternary complex was solved by molecular replacement using the crystal structures of the BTCI–trypsin binary complex (PDB code) and chymotrypsin (PDB code) as search models

Statistical mechanics of binary mixture adsorption in metal-organic frameworks in the osmotic ensemble

Science.gov (United States)

Dunne, Lawrence J.; Manos, George

2018-03-01

Although crucial for designing separation processes little is known experimentally about multi-component adsorption isotherms in comparison with pure single components. Very few binary mixture adsorption isotherms are to be found in the literature and information about isotherms over a wide range of gas-phase composition and mechanical pressures and temperature is lacking. Here, we present a quasi-one-dimensional statistical mechanical model of binary mixture adsorption in metal-organic frameworks (MOFs) treated exactly by a transfer matrix method in the osmotic ensemble. The experimental parameter space may be very complex and investigations into multi-component mixture adsorption may be guided by theoretical insights. The approach successfully models breathing structural transitions induced by adsorption giving a good account of the shape of adsorption isotherms of CO2 and CH4 adsorption in MIL-53(Al). Binary mixture isotherms and co-adsorption-phase diagrams are also calculated and found to give a good description of the experimental trends in these properties and because of the wide model parameter range which reproduces this behaviour suggests that this is generic to MOFs. Finally, a study is made of the influence of mechanical pressure on the shape of CO2 and CH4 adsorption isotherms in MIL-53(Al). Quite modest mechanical pressures can induce significant changes to isotherm shapes in MOFs with implications for binary mixture separation processes. This article is part of the theme issue `Modern theoretical chemistry'.

Preparation of NiFe binary alloy nanocrystals for nonvolatile memory applications

Institute of Scientific and Technical Information of China (English)

无

2010-01-01

In this work,an idea which applies binary alloy nanocrystal floating gate to nonvolatile memory application was introduced.The relationship between binary alloy’s work function and its composition was discussed theoretically.A nanocrystal floating gate structure with NiFe nanocrystals embedded in SiO2 dielectric layers was fabricated by magnetron sputtering.The micro-structure and composition deviation of the prepared NiFe nanocrystals were also investigated by TEM and EDS.

Structure of Complex Verb Forms in Meiteilon

Directory of Open Access Journals (Sweden)

Lourembam Surjit Singh

2016-12-01

Full Text Available This piece of work proposes to descriptively investigate the structures of complex verbs in Meiteilon. The categorization of such verbs is based on the nature of semantic and syntactic functions of a lexeme or verbal lexeme. A lexeme or verbal lexeme in Meiteilon may have multifunctional properties in the nature of occurrence. Such lexical items can be co-occurred together in a phrase as single functional word. Specifically, in the co-occurrences of two lexical items, the first component of lexical items has different semantic and syntactic functions in comparison to semantic and syntactic functions of the second component of lexical items. Such co-occurrences of two lexical items are the forms of complex verb that are covered with the term complex predicate in this work. The investigation in constructing complex predicate is thoroughly presenting in this work. Keywords: Structures, complex verb, conjunct verb, compound verb, complex predicate

An application of Pettifor structure maps for the identification of pseudo-binary quasicrystalline intermetallics

International Nuclear Information System (INIS)

Ranganathan, S.; Inoue, A.

2006-01-01

Quasicrystal-forming ability is considered from the viewpoint of Pettifor maps, where a single phenomenological coordinate, the Mendeleev number, captures the bonding characteristics of elements in forming intermetallics. By considering the largest sized atom as the most important constituent, it is shown that most known ternary and quaternary quasicrystals can be treated as pseudo-binary intermetallics. This also results in a classification of quasicrystals into four structural classes based on the nature of the bond orbital - s, p, d or f - of the large atom with four associated related crystal structures. A colour scheme is introduced to indicate preferences for two types of sites. We propose a new classification of quasicrystals as centred on Li, Mg, Al, Ga, Ca, Sc, Y, Ti, Zr, Hf and rare earth elements, as they are the largest atoms in the constituent quasicrystals in contrast to the conventional classification based on majority species

An application of Pettifor structure maps for the identification of pseudo-binary quasicrystalline intermetallics

Energy Technology Data Exchange (ETDEWEB)

Ranganathan, S. [Department of Metallurgy, Indian Institute of Science, CV Raman Avenue, Bangalore 560012, Karnataka (India) and Institute for Materials Research, Tohoku University, Sendai 9808577 (Japan)]. E-mail: rangu@met.iisc.ernet.in; Inoue, A. [Institute for Materials Research, Tohoku University, Sendai 9808577 (Japan)

2006-08-15

Quasicrystal-forming ability is considered from the viewpoint of Pettifor maps, where a single phenomenological coordinate, the Mendeleev number, captures the bonding characteristics of elements in forming intermetallics. By considering the largest sized atom as the most important constituent, it is shown that most known ternary and quaternary quasicrystals can be treated as pseudo-binary intermetallics. This also results in a classification of quasicrystals into four structural classes based on the nature of the bond orbital - s, p, d or f - of the large atom with four associated related crystal structures. A colour scheme is introduced to indicate preferences for two types of sites. We propose a new classification of quasicrystals as centred on Li, Mg, Al, Ga, Ca, Sc, Y, Ti, Zr, Hf and rare earth elements, as they are the largest atoms in the constituent quasicrystals in contrast to the conventional classification based on majority species.

Solution structure of the luzopeptin-DNA complex

International Nuclear Information System (INIS)

Zhang, Xiaolu; Patel, D.J.

1991-01-01

The luzopeptin-d(C-A-T-G) complex (1 drug/duplex) has been generated in aqueous solution and its structure characterized by a combined application of two-dimensional NMR experiments and molecular dynamics calculations. Once equivalent of luzopeptin binds to the self-complementary tetranucleotide duplex with the 2-fold symmetry of the antitumor agent and the DNA oligomer retained on complex formation. The authors have assigned the exchangeable and nonexchangeable proton resonances of luzopeptin and the d(C-A-T-G) duplex in the complex and identified the intermolecular proton-proton NOEs that define the alignment of the antitumor agent at its binding site in duplex DNA. The analysis was greatly aided by a large number of intermolecular NOEs involving exchangeable protons on both the luzopeptin and the DNA in the complex. The formation of cis peptide bonds for luzopeptin in the complex results in an increased separation of the long sides of the rectangular cyclic depsipeptide backbone and reorients in the glycine amide proton so that it can form an intermolecular hydrogen bond with the 2-carbonyl of T3 in the complex. This observation explains, in part, the requirement for Watson-Crick A·T pairs to be sandwiched between the quinolines at the bisintercalation site in the luzopeptin-DNA complex. The NMR studies on the luzopeptin-d(C-A-T-G) complex unequivocally establish that antitumor agents can undergo conformational transitions on complex formation with DNA, and it is the conformation of the drug in the complex that should serve as the starting point for drug design studies. The above structural details on the solution structure of the luzopeptin-DNA complex also explain the sequence selectivity of luzopeptin for bisintercalation at d(C-A)·d(T-G) steps in the d(C-A-T-G) duplex in solution

Synthesis and structure of cerium nitrosocarbonylcyanmethanid complex

International Nuclear Information System (INIS)

Gerasimenko, H.; Scopenko, V.V.; Kapshuk, A.A.

1998-01-01

Full text: The complex compound [CeL 4 Dy 2 ]Na*2Ac (where L- nitrosocarbonylcyanmethanid, Dy -- dipyridile, Ac - acetone) were synthesised by interaction of cerium chloride and sodium nitrosocarbonylcyanmethanid from acetone solution. After two hours of mixing the dipyridil solution in acetone was added for complex stabilization. After filtration solution was put to desiccator for crystallisation. The complex was studied using IR- and UV-spectroscopy. The structure of the complex was determined using X-ray structure analysis. It was found that the structure of the complex belongs to orthorhombic Pna2(1) syngony with the unit cell parameters 17.010, 16.280 and 16.340Angstroms, respectively. It was found that cerium in the compound was eight co-ordinated. Four nitroso ligands were co-ordinated by bidentate bridge method and two dipyridiles by bidentate-cycle method

Alpha complexes in protein structure prediction

DEFF Research Database (Denmark)

Winter, Pawel; Fonseca, Rasmus

2015-01-01

Reducing the computational effort and increasing the accuracy of potential energy functions is of utmost importance in modeling biological systems, for instance in protein structure prediction, docking or design. Evaluating interactions between nonbonded atoms is the bottleneck of such computations......-complexes from scratch for every configuration encountered during the search for the native structure would make this approach hopelessly slow. However, it is argued that kinetic a-complexes can be used to reduce the computational effort of determining the potential energy when "moving" from one configuration...... to a neighboring one. As a consequence, relatively expensive (initial) construction of an a-complex is expected to be compensated by subsequent fast kinetic updates during the search process. Computational results presented in this paper are limited. However, they suggest that the applicability of a...

Determination of clemastine hydrogen fumarate, desloratadine, losartan potassium and moxepril HCl through binary complex formation with eosin

Directory of Open Access Journals (Sweden)

Soad S. Abd El-Hay

2016-09-01

Full Text Available A simple and sensitive spectrophotometric method has been established for the determination of clemastine hydrogen fumarate (I, desloratadine (II, losartan potassium(III and moxepril HCl(IV based on binary complex formation with eosin. The method does not involve solvent extraction through the use of a non-ionic surfactant (methylcellulose. The color of the produced complex was measured at 552, 549 nm for (I, (II while was measured at 540 nm for (III and (IV. Appropriate conditions were established for the color reaction between eosin and the studied drugs to obtain maximum sensitivity. Under the proposed conditions, the method is applicable over concentration range of 1.25–11.25, 0.31–2.81, 2.5–20 and 1.25–15 μg/ml for (I, (II, (III and (IV, respectively. The molar absorptivity (ε, sandell sensitivity, detection (LOD and quantitation limits (LOQ are calculated. Unlike other reported ion-pair techniques, the suggested methods have the advantage of being applicable for the determination of the four drugs in their pharmaceutical dosage forms without prior extraction with excellent recoveries.

An adaptive mesh refinement-multiphase lattice Boltzmann flux solver for simulation of complex binary fluid flows

Science.gov (United States)

Yuan, H. Z.; Wang, Y.; Shu, C.

2017-12-01

This paper presents an adaptive mesh refinement-multiphase lattice Boltzmann flux solver (AMR-MLBFS) for effective simulation of complex binary fluid flows at large density ratios. In this method, an AMR algorithm is proposed by introducing a simple indicator on the root block for grid refinement and two possible statuses for each block. Unlike available block-structured AMR methods, which refine their mesh by spawning or removing four child blocks simultaneously, the present method is able to refine its mesh locally by spawning or removing one to four child blocks independently when the refinement indicator is triggered. As a result, the AMR mesh used in this work can be more focused on the flow region near the phase interface and its size is further reduced. In each block of mesh, the recently proposed MLBFS is applied for the solution of the flow field and the level-set method is used for capturing the fluid interface. As compared with existing AMR-lattice Boltzmann models, the present method avoids both spatial and temporal interpolations of density distribution functions so that converged solutions on different AMR meshes and uniform grids can be obtained. The proposed method has been successfully validated by simulating a static bubble immersed in another fluid, a falling droplet, instabilities of two-layered fluids, a bubble rising in a box, and a droplet splashing on a thin film with large density ratios and high Reynolds numbers. Good agreement with the theoretical solution, the uniform-grid result, and/or the published data has been achieved. Numerical results also show its effectiveness in saving computational time and virtual memory as compared with computations on uniform meshes.

On the evaluation at $(-\\iota,\\iota)$ of the Tutte polynomial of a binary matroid

NARCIS (Netherlands)

Pendavingh, R.A.

2014-01-01

Vertigan has shown that if $M$ is a binary matroid, then $|T_M(-\\iota,\\iota)|$, the modulus of the Tutte polynomial of $M$ as evaluated in $(-\\iota, \\iota)$, can be expressed in terms of the bicycle dimension of $M$. In this paper, we describe how the argument of the complex number

Knowledge structures and the acquisition of a complex skill.

Science.gov (United States)

Day, E A; Arthur, W; Gettman, D

2001-10-01

The purpose of this study was to examine the viability of knowledge structures as an operationalization of learning in the context of a task that required a high degree of skill. Over the course of 3 days, 86 men participated in 9 training sessions and learned a complex video game. At the end of acquisition, participants' knowledge structures were assessed. After a 4-day nonpractice interval, trainees completed tests of skill retention and skill transfer. Findings indicated that the similarity of trainees' knowledge structures to an expert structure was correlated with skill acquisition and was predictive of skill retention and skill transfer. However, the magnitude of these effects was dependent on the method used to derive the expert referent structure. Moreover, knowledge structures mediated the relationship between general cognitive ability and skill-based performance.

PHOTOINITIATED POLYMERIZATION BY ARYLIODONIUM SALT/BENZOPHENONE / TERTIARY AMINE BINARY PHOTOSENSITIZATION SYSTEM

Institute of Scientific and Technical Information of China (English)

HE Junhui; WANG Erjian

1990-01-01

A novel binary photosensitization system composed of benzophenone (BP) /diphenyliodonium chloride ( DPIOC )/triethylamine (TEA), exhibiting a good photoresponse at near UV and visible light regions, was used as the initiator for photopolymerization of MMA. The radical photogeneration in the binary system consists mainly of two parallel reactions, i. e., BP/TEA photohydrogen-abstraction and DPIOC/TEA complex photodecomposition, but the latter is more active than the former. The results of comparative study indicate that the rate of polymerization induced by the binary system (BDT) is remarkably higher than those by the corresponding single systems The polymerization rates are proportional to[BP] 0. 16, [ DPIOC] 0.32, [ TEA ] 0.45 and [MMA ] . The mechanism is also discussed.

Many-Body Potentials For Binary Immiscible liquid Metal Alloys

International Nuclear Information System (INIS)

Karaguelle, H.

2004-01-01

The modified analytic embedded atom method (MAEAM) type many- body potentials have been constructed for three binary liquid immiscible alloy systems: Al-Pb, Ag-Ni, Ag- Cu. The MAEAM potential functions are fitted to both solid and liquid state properties for only liquid pure metals which consist the immiscible alloy. In order to test the reliability of the constructed MAEAM effective potentials, partial structure factors and pair distribution functions of these binary liquid metal alloys have been calculated using the thermodynamically self-consistent variational modified hypernetted chain (VMHNC) theory of liquids. A good agreement with the available experimental data for structure has

Some thoughts on interacting binary systems

International Nuclear Information System (INIS)

Ulrich, R.K.

1980-01-01

The author presents some thoughts on the theory and observation of interacting binary systems. The complex physical processes possible in these systems make our present understanding inconclusive. New types of observation (X-ray, EUV, radio) present new challenges to the theoretician. The author discusses those problems which seem to hold the most promise for future progress. (Auth.)

Choosing the Best Enzyme Complex Structure Made Easy.

Science.gov (United States)

Das, Sayoni; Orengo, Christine

2018-04-03

In this issue of Structure, Tyzack et al. (2018) present a study of enzyme-ligand complexes in the PDB and show that the molecular similarity of bound and cognate ligands can be used to choose the most biologically appropriate complex structure for analysis when multiple structures are available. Copyright © 2018 Elsevier Ltd. All rights reserved.

Learning Latent Structure in Complex Networks

DEFF Research Database (Denmark)

Mørup, Morten; Hansen, Lars Kai

such as the Modularity, it has recently been shown that latent structure in complex networks is learnable by Bayesian generative link distribution models (Airoldi et al., 2008, Hofman and Wiggins, 2008). In this paper we propose a new generative model that allows representation of latent community structure......Latent structure in complex networks, e.g., in the form of community structure, can help understand network dynamics, identify heterogeneities in network properties, and predict ‘missing’ links. While most community detection algorithms are based on optimizing heuristic clustering objectives...... as in the previous Bayesian approaches and in addition allows learning of node specific link properties similar to that in the modularity objective. We employ a new relaxation method for efficient inference in these generative models that allows us to learn the behavior of very large networks. We compare the link...

A Survey of Binary Similarity and Distance Measures

Directory of Open Access Journals (Sweden)

Seung-Seok Choi

2010-02-01

Full Text Available The binary feature vector is one of the most common representations of patterns and measuring similarity and distance measures play a critical role in many problems such as clustering, classification, etc. Ever since Jaccard proposed a similarity measure to classify ecological species in 1901, numerous binary similarity and distance measures have been proposed in various fields. Applying appropriate measures results in more accurate data analysis. Notwithstanding, few comprehensive surveys on binary measures have been conducted. Hence we collected 76 binary similarity and distance measures used over the last century and reveal their correlations through the hierarchical clustering technique.

Structure-retention and mobile phase-retention relationships for reversed-phase high-performance liquid chromatography of several hydroxythioxanthone derivatives in binary acetonitrile-water mixtures

International Nuclear Information System (INIS)

Amiri, Ali Asghar; Hemmateenejad, Bahram; Safavi, Afsaneh; Sharghi, Hashem; Beni, Ali Reza Salimi; Shamsipur, Mojtaba

2007-01-01

The reversed-phase high-performance liquid chromatographic (RP-HPLC) behavior of some newly synthesized hydroxythioxanthone derivatives using binary acetonitrile-water mixtures as mobile phase has been examined. First, the variation in the retention time of each molecule as a function of mobile phase properties was studied by Kamlet-Taft solvatochromic equations. Then, the influences of molecular structure of the hydroxythioxanthone derivatives on their retention time in various mobile phase mixtures were investigated by quantitative structure-property relationship (QSPR) analysis. Finally, a unified model containing both the molecular structure parameters and mobile phase properties was developed to describe the chromatographic behavior of the systems studied. Among the solvent properties, polarity/polarizability parameter (π * ) and hydrogen-bond basicity (β), and among the solute properties, the most positive local charge (MPC), the sum of positive charges on hydrogen atoms contributing in hydrogen bonding (SPCH) and lipophilicity index (log P) were identified as controlling factors in the RP-HPLC behavior of hydroxythioxanthone derivatives in actonitrile-water binary solvents

Binary Masking & Speech Intelligibility

DEFF Research Database (Denmark)

Boldt, Jesper

The purpose of this thesis is to examine how binary masking can be used to increase intelligibility in situations where hearing impaired listeners have difficulties understanding what is being said. The major part of the experiments carried out in this thesis can be categorized as either experime......The purpose of this thesis is to examine how binary masking can be used to increase intelligibility in situations where hearing impaired listeners have difficulties understanding what is being said. The major part of the experiments carried out in this thesis can be categorized as either...... experiments under ideal conditions or as experiments under more realistic conditions useful for real-life applications such as hearing aids. In the experiments under ideal conditions, the previously defined ideal binary mask is evaluated using hearing impaired listeners, and a novel binary mask -- the target...... binary mask -- is introduced. The target binary mask shows the same substantial increase in intelligibility as the ideal binary mask and is proposed as a new reference for binary masking. In the category of real-life applications, two new methods are proposed: a method for estimation of the ideal binary...

Beyond binaries : a way forward for comparativeeducation

Directory of Open Access Journals (Sweden)

Marianne Larsen

2012-09-01

Full Text Available Binary discourses shape and produce the stories we construct about the field of comparative education. In the first part of this article, I review a set of binary discourses that have characterized social science research since the Enlightenment, including: quantitative-qualitative, nomotheticidiographic, inductive-deductive, and practice-theory. We can think of each of these binaries at opposite ends of a set of spectrums. In the second section of the paper, I show some of the ways in which these binaries have influenced the ways that we write and talk about research within the field of comparative education. I refer to the notion of binary discourses and the productive capacity of these discourses to shape our field. I then outline some critiques of these binaries to demonstrate the inherent limitations of binary discourses, and why we need to move beyond binaries in our research, and in the histories about our field. Finally, I present some tentative conclusions on ways to get ourselves out of the trap of binary thinking.Los discursos binarios moldean y producen los argumentos que construimos sobre la disciplina de la Educación Comparada. En la primera parte de este artículo, analizo un conjunto de discursos binarios que han caracterizado la investigación en Ciencias Sociales desde la Ilustración, incluyendo la cuantitativa-cualitativa, nomotética-idiográfica, inductivadeductiva, y la práctica-teoría. Podemos pensar sobre cada uno de estos discursos binarios como argumentos en los polos de un conjunto de posibilidades. En la segunda sección del artículo, revelo algunos modos en los que estos discursos binarios han influenciado las formas a través de las cuales escribimos y analizamos la investigación en el ámbito de la Educación Comparada. Analizo la noción de discursos binarios y la capacidad productiva de estos discursos de impactar nuestra ciencia. Seguidamente expongo algunas críticas de estos discursos binarios con el

Supramolecular structure of glibenclamide and β-cyclodextrins complexes.

Science.gov (United States)

Lucio, David; Irache, Juan Manuel; Font, María; Martínez-Ohárriz, María Cristina

2017-09-15

Glibenclamide is an antidiabetic drug showing low bioavailability as consequence of its low solubility. To solve this drawback, the interaction with cyclodextrins has been proposed. The formation of GB-βCDs inclusion complexes was carried out using different methods, βCD derivatives and drug-to-cyclodextrin ratios. The structures of the corresponding complexes have been studied by molecular modelling, X-ray diffraction and differential thermal analysis. The dissolution behavior of inclusion complexes has been compared to that of pure GB. Dimeric inclusion complexes were obtained with different CD disposals, head-to-head for βCD and head-to-tail for HPβCD and RMβCD. Amorphous inclusion complexes were obtained by employing methods of freeze-drying or coevaporation in ammonia-water. However, crystalline structures were formed by kneading and coevaporation in ethanol/water in the case of GB-βCD complexes. The arrangement of these structures depended on the GB:βCD ratio, yielding cage type structures for 1:3 and 1:5 ratios and channel-type structures for higher GB contents. The amount of GB released and its dissolution rate was considerably increased by the use of amorphous inclusion complexes; whereas, slower GB release rates were found from crystalline inclusion complexes formed by kneading or coevaporation in ethanol/water. In addition, it was found that the porous structure strongly conditioned the GB dissolution rate from crystalline products. Copyright © 2017 Elsevier B.V. All rights reserved.

Defect-mediated relaxation in the random tiling phase of a binary mixture: Birth, death and mobility of an atomic zipper

Energy Technology Data Exchange (ETDEWEB)

Tondl, Elisabeth; Ramsay, Malcolm; Harrowell, Peter; Widmer-Cooper, Asaph [School of Chemistry, University of Sydney, Sydney, NSW 2006 (Australia)

2014-03-14

This paper describes the mechanism of defect-mediated relaxation in a dodecagonal square-triangle random tiling phase exhibited by a simulated binary mixture of soft discs in 2D. We examine the internal transitions within the elementary mobile defect (christened the “zipper”) that allow it to move, as well as the mechanisms by which the zipper is created and annihilated. The structural relaxation of the random tiling phase is quantified and we show that this relaxation is well described by a model based on the distribution of waiting times for each atom to be visited by the diffusing zipper. This system, representing one of the few instances where a well defined mobile defect is capable of structural relaxation, can provide a valuable test case for general theories of relaxation in complex and disordered materials.

Defect-mediated relaxation in the random tiling phase of a binary mixture: Birth, death and mobility of an atomic zipper

International Nuclear Information System (INIS)

Tondl, Elisabeth; Ramsay, Malcolm; Harrowell, Peter; Widmer-Cooper, Asaph

2014-01-01

This paper describes the mechanism of defect-mediated relaxation in a dodecagonal square-triangle random tiling phase exhibited by a simulated binary mixture of soft discs in 2D. We examine the internal transitions within the elementary mobile defect (christened the “zipper”) that allow it to move, as well as the mechanisms by which the zipper is created and annihilated. The structural relaxation of the random tiling phase is quantified and we show that this relaxation is well described by a model based on the distribution of waiting times for each atom to be visited by the diffusing zipper. This system, representing one of the few instances where a well defined mobile defect is capable of structural relaxation, can provide a valuable test case for general theories of relaxation in complex and disordered materials

On the role of structure-dynamic relationship in determining the excess entropy of mixing and chemical ordering in binary square-well liquid alloys

Science.gov (United States)

Lalneihpuii, R.; Shrivastava, Ruchi; Mishra, Raj Kumar

2018-05-01

Using statistical mechanical model with square-well (SW) interatomic potential within the frame work of mean spherical approximation, we determine the composition dependent microscopic correlation functions, interdiffusion coefficients, surface tension and chemical ordering in Ag-Cu melts. Further Dzugutov universal scaling law of normalized diffusion is verified with SW potential in binary mixtures. We find that the excess entropy scaling law is valid for SW binary melts. The partial and total structure factors in the attractive and repulsive regions of the interacting potential are evaluated and then Fourier transformed to get partial and total radial distribution functions. A good agreement between theoretical and experimental values for total structure factor and the reduced radial distribution function are observed, which consolidates our model calculations. The well-known Bhatia-Thornton correlation functions are also computed for Ag-Cu melts. The concentration-concentration correlations in the long wavelength limit in liquid Ag-Cu alloys have been analytically derived through the long wavelength limit of partial correlation functions and apply it to demonstrate the chemical ordering and interdiffusion coefficients in binary liquid alloys. We also investigate the concentration dependent viscosity coefficients and surface tension using the computed diffusion data in these alloys. Our computed results for structure, transport and surface properties of liquid Ag-Cu alloys obtained with square-well interatomic interaction are fully consistent with their corresponding experimental values.

Discovery of a Red Giant with Solar-like Oscillations in an Eclipsing Binary System from Kepler Space-based Photometry

DEFF Research Database (Denmark)

Hekker, S.; Debosscher, J.; Huber, D.

2010-01-01

Oscillating stars in binary systems are among the most interesting stellar laboratories, as these can provide information on the stellar parameters and stellar internal structures. Here we present a red giant with solar-like oscillations in an eclipsing binary observed with the NASA Kepler...

ACOUSTIC EFFECTS ON BINARY AEROELASTICITY MODEL

Directory of Open Access Journals (Sweden)

Kok Hwa Yu

2011-10-01

Full Text Available Acoustics is the science concerned with the study of sound. The effects of sound on structures attract overwhelm interests and numerous studies were carried out in this particular area. Many of the preliminary investigations show that acoustic pressure produces significant influences on structures such as thin plate, membrane and also high-impedance medium like water (and other similar fluids. Thus, it is useful to investigate the structure response with the presence of acoustics on aircraft, especially on aircraft wings, tails and control surfaces which are vulnerable to flutter phenomena. The present paper describes the modeling of structural-acoustic interactions to simulate the external acoustic effect on binary flutter model. Here, the binary flutter model which illustrated as a rectangular wing is constructed using strip theory with simplified unsteady aerodynamics involving flap and pitch degree of freedom terms. The external acoustic excitation, on the other hand, is modeled using four-node quadrilateral isoparametric element via finite element approach. Both equations then carefully coupled and solved using eigenvalue solution. The mentioned approach is implemented in MATLAB and the outcome of the simulated result are later described, analyzed and illustrated in this paper.

The complex band structure for armchair graphene nanoribbons

International Nuclear Information System (INIS)

Zhang Liu-Jun; Xia Tong-Sheng

2010-01-01

Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N = 3M − 1. The band gap is almost unchanged for N = 3M + 1, but decreased for N = 3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nanoribbons, and is also classified into three classes

Flexible link functions in nonparametric binary regression with Gaussian process priors.

Science.gov (United States)

Li, Dan; Wang, Xia; Lin, Lizhen; Dey, Dipak K

2016-09-01

In many scientific fields, it is a common practice to collect a sequence of 0-1 binary responses from a subject across time, space, or a collection of covariates. Researchers are interested in finding out how the expected binary outcome is related to covariates, and aim at better prediction in the future 0-1 outcomes. Gaussian processes have been widely used to model nonlinear systems; in particular to model the latent structure in a binary regression model allowing nonlinear functional relationship between covariates and the expectation of binary outcomes. A critical issue in modeling binary response data is the appropriate choice of link functions. Commonly adopted link functions such as probit or logit links have fixed skewness and lack the flexibility to allow the data to determine the degree of the skewness. To address this limitation, we propose a flexible binary regression model which combines a generalized extreme value link function with a Gaussian process prior on the latent structure. Bayesian computation is employed in model estimation. Posterior consistency of the resulting posterior distribution is demonstrated. The flexibility and gains of the proposed model are illustrated through detailed simulation studies and two real data examples. Empirical results show that the proposed model outperforms a set of alternative models, which only have either a Gaussian process prior on the latent regression function or a Dirichlet prior on the link function. © 2015, The International Biometric Society.

The COBAIN (COntact Binary Atmospheres with INterpolation) Code for Radiative Transfer

Science.gov (United States)

Kochoska, Angela; Prša, Andrej; Horvat, Martin

2018-01-01

Standard binary star modeling codes make use of pre-existing solutions of the radiative transfer equation in stellar atmospheres. The various model atmospheres available today are consistently computed for single stars, under different assumptions - plane-parallel or spherical atmosphere approximation, local thermodynamical equilibrium (LTE) or non-LTE (NLTE), etc. However, they are nonetheless being applied to contact binary atmospheres by populating the surface corresponding to each component separately and neglecting any mixing that would typically occur at the contact boundary. In addition, single stellar atmosphere models do not take into account irradiance from a companion star, which can pose a serious problem when modeling close binaries. 1D atmosphere models are also solved under the assumption of an atmosphere in hydrodynamical equilibrium, which is not necessarily the case for contact atmospheres, as the potentially different densities and temperatures can give rise to flows that play a key role in the heat and radiation transfer.To resolve the issue of erroneous modeling of contact binary atmospheres using single star atmosphere tables, we have developed a generalized radiative transfer code for computation of the normal emergent intensity of a stellar surface, given its geometry and internal structure. The code uses a regular mesh of equipotential surfaces in a discrete set of spherical coordinates, which are then used to interpolate the values of the structural quantites (density, temperature, opacity) in any given point inside the mesh. The radiaitive transfer equation is numerically integrated in a set of directions spanning the unit sphere around each point and iterated until the intensity values for all directions and all mesh points converge within a given tolerance. We have found that this approach, albeit computationally expensive, is the only one that can reproduce the intensity distribution of the non-symmetric contact binary atmosphere and

Turbidity of a Binary Fluid Mixture: Determining Eta

Science.gov (United States)

Jacobs, Donald T.

1996-01-01

A ground based (1-g) experiment is in progress that will measure the turbidity of a density-matched, binary fluid mixture extremely close to its liquid-liquid critical point. By covering the range of reduced temperatures t equivalent to (T-T(sub c)) / T(sub c) from 10(exp -8) to 10(exp -2), the turbidity measurements will allow the critical exponent eta to be determined. No experiment has precisely determined a value of the critical exponent eta, yet its value is significant to theorists in critical phenomena. Relatively simple critical phenomena, as in the liquid-liquid system studied here, serve as model systems for more complex systems near a critical point.

Full Ionisation In Binary-Binary Encounters With Small Positive Energies

Science.gov (United States)

Sweatman, W. L.

2006-08-01

Interactions between binary stars and single stars and binary stars and other binary stars play a key role in the dynamics of a dense stellar system. Energy can be transferred between the internal dynamics of a binary and the larger scale dynamics of the interacting objects. Binaries can be destroyed and created by the interaction. In a binary-binary encounter, full ionisation occurs when both of the binary stars are destroyed in the interaction to create four single stars. This is only possible when the total energy of the system is positive. For very small energies the probability of this occurring is very low and it tends towards zero as the total energy tends towards zero. Here the case is considered for which all the stars have equal masses. An asymptotic power law is predicted relating the probability of full ionisation with the total energy when this latter quantity is small. The exponent, which is approximately 2.31, is compared with the results from numerical scattering experiments. The theoretical approach taken is similar to one used previously in the three-body problem. It makes use of the fact that the most dramatic changes in scale and energies of a few-body system occur when its components pass near to a central configuration. The position, and number, of these configurations is not known for the general four-body problem, however, with equal masses there are known to be exactly five different cases. Separate consideration and comparison of the properties of orbits close to each of these five central configurations enables the prediction of the form of the cross-section for full ionisation for the case of small positive total energy. This is the relation between total energy and the probability of total ionisation described above.

Surface Structures Formed by a Copper(II Complex of Alkyl-Derivatized Indigo

Directory of Open Access Journals (Sweden)

Akinori Honda

2016-10-01

Full Text Available Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM analysis revealed that the copper(II complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed.

BetaBit: A fast generator of autocorrelated binary processes for geophysical research

Science.gov (United States)

Serinaldi, Francesco; Lombardo, Federico

2017-05-01

We introduce a fast and efficient non-iterative algorithm, called BetaBit, to simulate autocorrelated binary processes describing the occurrence of natural hazards, system failures, and other physical and geophysical phenomena characterized by persistence, temporal clustering, and low rate of occurrence. BetaBit overcomes the simulation constraints posed by the discrete nature of the marginal distributions of binary processes by using the link existing between the correlation coefficients of this process and those of the standard Gaussian processes. The performance of BetaBit is tested on binary signals with power-law and exponentially decaying autocorrelation functions (ACFs) corresponding to Hurst-Kolmogorov and Markov processes, respectively. An application to real-world sequences describing rainfall intermittency and the occurrence of strong positive phases of the North Atlantic Oscillation (NAO) index shows that BetaBit can also simulate surrogate data preserving the empirical ACF as well as signals with autoregressive moving average (ARMA) dependence structures. Extensions to cyclo-stationary processes accounting for seasonal fluctuations are also discussed.

Classification of smooth structures on a homotopy complex ...

Indian Academy of Sciences (India)

Abstract. We classify, up to diffeomorphism, all closed smooth manifolds homeo- morphic to the complex projective n-space CPn, where n = 3 and 4. Let M2n be a closed smooth 2n-manifold homotopy equivalent to CPn. We show that, up to diffeo- morphism, M6 has a unique differentiable structure and M8 has at most two ...

Classification of smooth structures on a homotopy complex ...

Indian Academy of Sciences (India)

We classify, up to diffeomorphism, all closed smooth manifolds homeomorphic to the complex projective n -space C P n , where n = 3 and 4. Let M 2 n be a closed smooth 2 n -manifold homotopy equivalent to C P n . We show that, up to diffeomorphism, M 6 has a unique differentiable structure and M 8 has at most two ...

TWO STARS TWO WAYS: CONFIRMING A MICROLENSING BINARY LENS SOLUTION WITH A SPECTROSCOPIC MEASUREMENT OF THE ORBIT

Energy Technology Data Exchange (ETDEWEB)

Yee, Jennifer C.; Johnson, John Asher; Eastman, Jason; Vanderburg, Andrew [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Skowron, Jan [Warsaw University Observatory, Al. Ujazdowskie 4, 00-478 Warszawa (Poland); Gould, Andrew [Department of Astronomy, Ohio State University, 140 West 18th Avenue, Columbus, OH 43210 (United States); Pineda, J. Sebastian [Department of Astronomy, California Institute of Technology, 1200 East California Boulevard, MC 249-17, Pasadena, CA 91125 (United States); Howard, Andrew, E-mail: jyee@cfa.harvard.edu, E-mail: jjohnson@cfa.harvard.edu, E-mail: jason.eastman@cfa.harvard.edu, E-mail: avanderburg@cfa.harvard.edu [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822-1839 (United States)

2016-04-20

Light curves of microlensing events involving stellar binaries and planetary systems can provide information about the orbital elements of the system due to orbital modulations of the caustic structure. Accurately measuring the orbit in either the stellar or planetary case requires detailed modeling of subtle deviations in the light curve. At the same time, the natural, Cartesian parameterization of a microlensing binary is partially degenerate with the microlens parallax. Hence, it is desirable to perform independent tests of the predictions of microlens orbit models using radial velocity (RV) time series of the lens binary system. To this end, we present 3.5 years of RV monitoring of the binary lens system OGLE-2009-BLG-020 L, for which Skowron et al. constrained all internal parameters of the 200–700 day orbit. Our RV measurements reveal an orbit that is consistent with the predictions of the microlens light curve analysis, thereby providing the first confirmation of orbital elements inferred from microlensing events.

CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. I. S-TYPE BINARIES

Energy Technology Data Exchange (ETDEWEB)

Kaltenegger, Lisa [MPIA, Koenigstuhl 17, D-69117 Heidelberg (Germany); Haghighipour, Nader, E-mail: kaltenegger@mpia.de [Institute for Astronomy and NASA Astrobiology Institute, University of Hawaii-Manoa, Honolulu, HI 96822 (United States)

2013-11-10

We have developed a comprehensive methodology for calculating the boundaries of the habitable zone (HZ) of planet-hosting S-type binary star systems. Our approach is general and takes into account the contribution of both stars to the location and extent of the binary HZ with different stellar spectral types. We have studied how the binary eccentricity and stellar energy distribution affect the extent of the HZ. Results indicate that in binaries where the combination of mass-ratio and orbital eccentricity allows planet formation around a star of the system to proceed successfully, the effect of a less luminous secondary on the location of the primary's HZ is generally negligible. However, when the secondary is more luminous, it can influence the extent of the HZ. We present the details of the derivations of our methodology and discuss its application to the binary HZ around the primary and secondary main-sequence stars of an FF, MM, and FM binary, as well as two known planet-hosting binaries α Cen AB and HD 196886.

CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. I. S-TYPE BINARIES

International Nuclear Information System (INIS)

Kaltenegger, Lisa; Haghighipour, Nader

2013-01-01

We have developed a comprehensive methodology for calculating the boundaries of the habitable zone (HZ) of planet-hosting S-type binary star systems. Our approach is general and takes into account the contribution of both stars to the location and extent of the binary HZ with different stellar spectral types. We have studied how the binary eccentricity and stellar energy distribution affect the extent of the HZ. Results indicate that in binaries where the combination of mass-ratio and orbital eccentricity allows planet formation around a star of the system to proceed successfully, the effect of a less luminous secondary on the location of the primary's HZ is generally negligible. However, when the secondary is more luminous, it can influence the extent of the HZ. We present the details of the derivations of our methodology and discuss its application to the binary HZ around the primary and secondary main-sequence stars of an FF, MM, and FM binary, as well as two known planet-hosting binaries α Cen AB and HD 196886

Post-structuralism, Complexity and Poetics.

OpenAIRE

Dillon, Michael

2000-01-01

Post-structuralism and complexity are plural and diverse modes of thought that share a common subscription to the �anteriority of radical relationality�. They nonetheless subscribe to a different ethic of life because they address the anteriority of radical relationality in different ways. Complexity remains strategic in its bid to become a power-knowledge of the laws of becoming. It derives that strategic ethic from its scientific interest in the implicate order of non-linearity that is ...

Structure of a Complete Mediator-RNA Polymerase II Pre-Initiation Complex.

Science.gov (United States)

Robinson, Philip J; Trnka, Michael J; Bushnell, David A; Davis, Ralph E; Mattei, Pierre-Jean; Burlingame, Alma L; Kornberg, Roger D

2016-09-08

A complete, 52-protein, 2.5 million dalton, Mediator-RNA polymerase II pre-initiation complex (Med-PIC) was assembled and analyzed by cryo-electron microscopy and by chemical cross-linking and mass spectrometry. The resulting complete Med-PIC structure reveals two components of functional significance, absent from previous structures, a protein kinase complex and the Mediator-activator interaction region. It thereby shows how the kinase and its target, the C-terminal domain of the polymerase, control Med-PIC interaction and transcription. Copyright © 2016 Elsevier Inc. All rights reserved.

/sup 133/Cs NMR study of Cs/sup +/ ion complexes with dibenzo-21-crown-7 and dibenzo-24-crown-8 in some mixed solvents

Energy Technology Data Exchange (ETDEWEB)

Rounaghi, G.; Popov, A.I.

1986-01-01

Complexation of the cesium ion with macrocyclic ligands, dibenzo-21-crown-7 and dibenzo-24-crown-8, was studied in binary solvent mixtures of dimethylsulfoxide with acetone, acetonitrile, propylene carbonate, pyridine and hexamethylphosphoramide (HMPA) as well as in pyridine-methanol mixtures. In the first four binary mixtures the complexation constants increased with decreasing amounts of dimethylsulfoxide (DMSO), the trend is reversed in the DMSO-HMPA system. In all of the above cases, the variation of the stability constant with composition was monotonic and showed good correlation with the inherent solvating ability of the neat solvents which form the mixture. In the pyridine-methanol system, however, for both complexes, the log Ksub(f) vs composition plots show several changes in direction. This behavior is probably due to a change in the structure of this binary solvent as the composition of the medium is varied.

Carrying a Torch for Dust in Binary Star Systems

OpenAIRE

Cotton, Daniel V.; Marshall, Jonathan P.; Bott, Kimberly; Kedziora-Chudczer, Lucyna; Bailey, Jeremy

2016-01-01

Young stars are frequently observed to host circumstellar disks, within which their attendant planetary systems are formed. Scattered light imaging of these proto-planetary disks reveals a rich variety of structures including spirals, gaps and clumps. Self-consistent modelling of both imaging and multi-wavelength photometry enables the best interpretation of the location and size distribution of disks' dust. Epsilon Sagittarii is an unusual star system. It is a binary system with a B9.5III pr...

Synthesis and photoluminescence properties of novel Schiff base type polymer-rare earth complexes containing furfural-based bidentate Schiff base ligands

Science.gov (United States)

Gao, Baojiao; Zhang, Dandan; Li, Yanbin

2018-03-01

Luminescent polymer-rare earth complexes are an important class of photoluminescence and electroluminescence materials. Via molecular design, two furfural-based bidentate Schiff base ligands, furfural-aniline (FA) type ligand and furfural-cyclohexylamine (FC) type ligand, were bonded on the side chains of polysulfone (PSF), respectively, forming two functionalized macromolecules, PSF-FA and PSF-FC. And then through respective coordination reactions of the two functionalized macromolecules with Eu(Ⅲ) ion and Tb(Ⅲ) ion, novel luminescent binary and ternary (with 1,10-phenanthroline as the second ligand) polymer-rare earth complexes were synthesized. For these complexes, on basis of the characterization of their chemical structures, they photoluminescence properties were main researched, and the relationship between their luminescent properties and structures was explored. The experimental results show that the complexes coming from PSF-FA and Eu(Ⅲ) ion including binary and ternary complexes emit strong red luminescence, indicating that the bonded bidentate Schiff base ligand FA can sensitize the fluorescence emission of Eu(III) ion. While the complexes coming from PSF-FC and Tb(Ⅲ) ion produce green luminescence, displaying that the bonded bidentate Schiff base ligand FC can sensitize the fluorescence emission of Tb(Ⅲ) ion. The fluorescence emission intensities of the ternary complexes were stronger than that of binary complexes, reflecting the important effect of the second ligand. The fluorescence emission of the solid film of complexes is much stronger than that of the solutions of complexes. Besides, by comparison, it is found that the furfural (as a heteroaromatic compound)-based Schiff base type polymer-rare earth complexes have stronger fluorescence emission and higher energy transfer efficiency than salicylaldehyde (as a common aromatic compound)-based Schiff base type polymer-rare earth complexes.

Structural and Topology Optimization of Complex Civil Engineering Structures

DEFF Research Database (Denmark)

Hald, Frederik; Kirkegaard, Poul Henning; Andersen, Lars Vabbersgaard

2013-01-01

This paper shows the use of topology optimization for finding an optimized form for civil engineering structures. Today topology optimization and shape optimization have been integrated in several commercial finite element codes. Here, the topology of two complex civil engineering structures...

133Cs NMR study of Cs+ ion complexes with dibenzo-21-crown-7 and dibenzo-24-crown-8 in some mixed solvents

International Nuclear Information System (INIS)

Rounaghi, G.; Popov, A.I.

1986-01-01

Complexation of the cesium ion with macrocyclic ligands, dibenzo-21-crown-7 and dibenzo-24-crown-8, was studied in binary solvent mixtures of dimethylsulfoxide with acetone, acetonitrile, propylene carbonate, pyridine and hexamethylphosphoramide (HMPA) as well as in pyridine-methanol mixtures. In the first four binary mixtures the complexation constants increased with decreasing amounts of dimethylsulfoxide (DMSO), the trend is reversed in the DMSO-HMPA system. In all of the above cases, the variation of the stability constant with composition was monotonic and showed good correlation with the inherent solvating ability of the neat solvents which form the mixture. In the pyridine-methanol system, however, for both complexes, the log Ksub(f) vs composition plots show several changes in direction. This behavior is probably due to a change in the structure of this binary solvent as the composition of the medium is varied. (author)

Insight into the structures and stabilities of Tc and Re DMSA complexes: A computational study

International Nuclear Information System (INIS)

Blanco González, Alejandro; Hernández Valdés, Daniel; García Fleitas, Ariel; Rodríguez Riera, Zalua; Jáuregui Haza, Ulises

2016-01-01

Meso-2,3-dimercaptosuccinic acid (DMSA) is used in nuclear medicine as ligand for preparation of radiopharmaceuticals for diagnostic and therapy. DMSA has been the subject of numerous investigations during the past three decades and new and significant information of the chemistry and pharmacology of DMSA complexes have emerged. In comparison to other ligands, the structure of some DMSA complexes is unclear up today. The structures and applications of DMSA complexes are strictly dependent on the chemical conditions of their preparation, especially pH and the ratio of components. A computational study of M-DMSA (M = Tc, Re) complexes has been performed using density functional theory. Different isomers for M(V) and M(III) complexes were study. The pH influence over ligand structures was taken into account and the solvent effect was evaluated using an implicit solvation model. The fully optimized complex syn-endo Re(V)-DMSA shows a geometry similar to the X-ray data and was used to validate the methodology. Moreover, new alternative structures for the renal agent 99mTc(III)-DMSA were proposed and computationally studied. For two complex structures, a larger stability respect to that proposed in the literature was obtained. Furthermore, Tc(V)-DMSA complexes are more stable than the Tc(III)-DMSA proposed structures. In general, Re complexes are more stables than the corresponding Tc ones. (author)

Group actions, non-Kähler complex manifolds and SKT structures

Directory of Open Access Journals (Sweden)

Poddar Mainak

2018-02-01

Full Text Available We give a construction of integrable complex structures on the total space of a smooth principal bundle over a complex manifold, with an even dimensional compact Lie group as structure group, under certain conditions. This generalizes the constructions of complex structure on compact Lie groups by Samelson and Wang, and on principal torus bundles by Calabi-Eckmann and others. It also yields large classes of new examples of non-Kähler compact complex manifolds. Moreover, under suitable restrictions on the base manifold, the structure group, and characteristic classes, the total space of the principal bundle admits SKT metrics. This generalizes recent results of Grantcharov et al. We study the Picard group and the algebraic dimension of the total space in some cases. We also use a slightly generalized version of the construction to obtain (non-Kähler complex structures on tangential frame bundles of complex orbifolds.

Contamination of RR Lyrae stars from Binary Evolution Pulsators

Science.gov (United States)

Karczmarek, Paulina; Pietrzyński, Grzegorz; Belczyński, Krzysztof; Stępień, Kazimierz; Wiktorowicz, Grzegorz; Iłkiewicz, Krystian

2016-06-01

Binary Evolution Pulsator (BEP) is an extremely low-mass member of a binary system, which pulsates as a result of a former mass transfer to its companion. BEP mimics RR Lyrae-type pulsations but has different internal structure and evolution history. We present possible evolution channels to produce BEPs, and evaluate the contamination value, i.e. how many objects classified as RR Lyrae stars can be undetected BEPs. In this analysis we use population synthesis code StarTrack.

Study on the Workspace of a 6-DOF Parallel Topology Robot Related to Binary Link Lengths

Directory of Open Access Journals (Sweden)

Calin-Octavian Miclosina

2016-12-01

Full Text Available The paper presents a study on the workspace of a parallel topology robot with the structure FP3+6•SPS+MP3. The variable parameters are the binary link lengths, from both upper and lower levels, and the driving kinematical joint strokes. The workspace boundary is determined by SolidWorks software simulations. For different binary link lengths, workspace volume is determined and sections through the workspace are presented.

Crystal Structure of a CRISPR RNA-guided Surveillance Complex Bound to a ssDNA Target

Energy Technology Data Exchange (ETDEWEB)

Mulepati, Sabin [Johns Hopkins Univ., Baltimore, MD (United States); Heroux, Annie; Bailey, Scott [Johns Hopkins Univ., Baltimore, MD (United States)

2014-09-19

In prokaryotes, RNA derived from type I and type III CRISPR loci direct large ribonucleoprotein complexes to destroy invading bacteriophage and plasmids. In Escherichia coli, this 405-kilodalton complex is called Cascade. We report the crystal structure of Cascade bound to a single-stranded DNA (ssDNA) target at a resolution of 3.03 angstroms. The structure reveals that the CRISPR RNA and target strands do not form a double helix but instead adopt an underwound ribbon-like structure. This noncanonical structure is facilitated by rotation of every sixth nucleotide out of the RNA-DNA hybrid and is stabilized by the highly interlocked organization of protein subunits. These studies provide insight into both the assembly and the activity of this complex and suggest a mechanism to enforce fidelity of target binding.

Interacting binaries

CERN Document Server

Shore, S N; van den Heuvel, EPJ

1994-01-01

This volume contains lecture notes presented at the 22nd Advanced Course of the Swiss Society for Astrophysics and Astronomy. The contributors deal with symbiotic stars, cataclysmic variables, massive binaries and X-ray binaries, in an attempt to provide a better understanding of stellar evolution.

Polarity Correspondence: A General Principle for Performance of Speeded Binary Classification Tasks

Science.gov (United States)

Proctor, Robert W.; Cho, Yang Seok

2006-01-01

Differences in performance with various stimulus-response mappings are among the most prevalent findings for binary choice reaction tasks. The authors show that perceptual or conceptual similarity is not necessary to obtain mapping effects; a type of structural similarity is sufficient. Specifically, stimulus and response alternatives are coded as…

CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. II. P-TYPE BINARIES

International Nuclear Information System (INIS)

Haghighipour, Nader; Kaltenegger, Lisa

2013-01-01

We have developed a comprehensive methodology for calculating the circumbinary habitable zone (HZ) in planet-hosting P-type binary star systems. We present a general formalism for determining the contribution of each star of the binary to the total flux received at the top of the atmosphere of an Earth-like planet and use the Sun's HZ to calculate the inner and outer boundaries of the HZ around a binary star system. We apply our calculations to the Kepler's currently known circumbinary planetary systems and show the combined stellar flux that determines the boundaries of their HZs. We also show that the HZ in P-type systems is dynamic and, depending on the luminosity of the binary stars, their spectral types, and the binary eccentricity, its boundaries vary as the stars of the binary undergo their orbital motion. We present the details of our calculations and discuss the implications of the results

CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. II. P-TYPE BINARIES

Energy Technology Data Exchange (ETDEWEB)

Haghighipour, Nader [Institute for Astronomy and NASA Astrobiology Institute, University of Hawaii-Manoa, Honolulu, HI 96822 (United States); Kaltenegger, Lisa [MPIA, Koenigstuhl 17, Heidelberg, D-69117 (Germany)

2013-11-10

We have developed a comprehensive methodology for calculating the circumbinary habitable zone (HZ) in planet-hosting P-type binary star systems. We present a general formalism for determining the contribution of each star of the binary to the total flux received at the top of the atmosphere of an Earth-like planet and use the Sun's HZ to calculate the inner and outer boundaries of the HZ around a binary star system. We apply our calculations to the Kepler's currently known circumbinary planetary systems and show the combined stellar flux that determines the boundaries of their HZs. We also show that the HZ in P-type systems is dynamic and, depending on the luminosity of the binary stars, their spectral types, and the binary eccentricity, its boundaries vary as the stars of the binary undergo their orbital motion. We present the details of our calculations and discuss the implications of the results.

Close Binaries in the 21st Century: New Opportunities and Challenges

CERN Document Server

Giménez, Àlvaro; Niarchos, Panagiotis; Rucinski, Slavek

2006-01-01

An International Conference entitled "Close Binaries in the 21st Century: New Opportunities and Challenges", was held in Syros island, Greece, from 27 to 30 June, 2005. There are many binary star systems whose components are so close together, that they interact in various ways. Stars in such systems do not pass through all stages of their evolution independently of each other; in fact their evolutionary path is significantly affected by their companions. Processes of interaction include gravitational effects, mutual irradiation, mass exchange, mass loss from the system, phenomena of extended atmospheres, semi-transparent atmospheric clouds, variable thickness disks and gas streams. The zoo of Close Binary Systems includes: Close Eclipsing Binaries (Detached, Semi-detached, Contact), High and Low-Mass X-ray Binaries, Cataclysmic Variables, RS CVn systems, Pulsar Binaries and Symbiotic Stars. The study of these binaries triggered the development of new branches of astrophysics dealing with the structure and ev...

Compositional Investigation of Binary Near-Earth Asteroid 66063 (1998 RO1): A Potentially Undifferentiated Assemblage

Science.gov (United States)

Abell, P. A.; Gaffey, M. J.; Landis, R. R.; Jarvis, K. S.

2005-01-01

It is now thought that approximately 16% of all asteroids among the near-Earth population may be binary objects. Several independent lines of evidence, such as the presence of doublet craters on the Earth and Moon [1, 2], complex lightcurves of near-Earth objects exhibiting mutual events [3], and radar images of near-Earth asteroids revealing distinct primary and secondary objects, have supported this conclusion [4]. To date at least 23 near-Earth objects have been discovered as binary systems with expectations that many more have yet to be identified or recognized. Little is known about the physical characteristics of binary objects except that they seem to have fairly rapid rotation rates, generally have primaries in the approx. 1 km diameter range with smaller secondaries on the order of a few hundred meters, and apart from a few exceptions, are in synchronous orbits [4, 5]. Previously only two of these binary near-Earth asteroids (1998 ST27 and 2003 YT1) have been characterized in terms of detailed mineralogical investigations [6, 7]. Such investigations are required to fully understand the formation mechanisms of these binary objects and their possible source regions. In addition, detailed knowledge of these objects may play an important role for planning future spacecraft missions and for the development of impact mitigation strategies. The work presented here represents a continued effort to characterize this particular sub-group of the near- Earth asteroid population.

Stability of binary complexes of Pb(II, Cd(II and Hg(II with maleic acid in TX100-water mixtures

Directory of Open Access Journals (Sweden)

M. Ramanaiah

2014-09-01

Full Text Available Binary complexes of maleic acid with toxic metal ions such as Pb(II, Cd(II and Hg(II have been studied in 0.0-2.5% v/v tritonX-100 (TX100 - water media at 303 K at an ionic strength of 0.16 M. The active forms of the ligand are LH2, LH- and L2-. The derived ‘best fit’ chemical speciation models are based on crystallographic R-factors, χ2 and Skewness and Kurtosis factors. The predominant species formed are of the type ML2, ML2H and ML3. The trend in variation of complex stability constants with change in the mole fraction of the medium is explained on the basis of prevailing electrostatic and non-electrostatic forces. The species distribution as a function of pH at different compositions of TX100-water mixtures and plausible speciation equilibria are presented and discussed. DOI: http://dx.doi.org/10.4314/bcse.v28i3.7

Binary Relations as a Foundation of Mathematics

NARCIS (Netherlands)

Kuper, Jan; Barendsen, E.; Capretta, V.; Geuvers, H.; Niqui, M.

2007-01-01

We describe a theory for binary relations in the Zermelo-Fraenkel style. We choose for ZFCU, a variant of ZFC Set theory in which the Axiom of Foundation is replaced by an axiom allowing for non-wellfounded sets. The theory of binary relations is shown to be equi-consistent ZFCU by constructing a

Compact complex surfaces with geometric structures related to split quaternions

International Nuclear Information System (INIS)

Davidov, Johann; Grantcharov, Gueo; Mushkarov, Oleg; Yotov, Miroslav

2012-01-01

We study the problem of existence of geometric structures on compact complex surfaces that are related to split quaternions. These structures, called para-hypercomplex, para-hyperhermitian and para-hyperkähler, are analogs of the hypercomplex, hyperhermitian and hyperkähler structures in the definite case. We show that a compact 4-manifold carries a para-hyperkähler structure iff it has a metric of split signature together with two parallel, null, orthogonal, pointwise linearly independent vector fields. Every compact complex surface admitting a para-hyperhermitian structure has vanishing first Chern class and we show that, unlike the definite case, many of these surfaces carry infinite-dimensional families of such structures. We provide also compact examples of complex surfaces with para-hyperhermitian structures which are not locally conformally para-hyperkähler. Finally, we discuss the problem of non-existence of para-hyperhermitian structures on Inoue surfaces of type S 0 and provide a list of compact complex surfaces which could carry para-hypercomplex structures.

Detecting unresolved binary stars in Euclid VIS images

Science.gov (United States)

Kuntzer, T.; Courbin, F.

2017-10-01

Measuring a weak gravitational lensing signal to the level required by the next generation of space-based surveys demands exquisite reconstruction of the point-spread function (PSF). However, unresolved binary stars can significantly distort the PSF shape. In an effort to mitigate this bias, we aim at detecting unresolved binaries in realistic Euclid stellar populations. We tested methods in numerical experiments where (I) the PSF shape is known to Euclid requirements across the field of view; and (II) the PSF shape is unknown. We drew simulated catalogues of PSF shapes for this proof-of-concept paper. Following the Euclid survey plan, the objects were observed four times. We propose three methods to detect unresolved binary stars. The detection is based on the systematic and correlated biases between exposures of the same object. One method is a simple correlation analysis, while the two others use supervised machine-learning algorithms (random forest and artificial neural network). In both experiments, we demonstrate the ability of our methods to detect unresolved binary stars in simulated catalogues. The performance depends on the level of prior knowledge of the PSF shape and the shape measurement errors. Good detection performances are observed in both experiments. Full complexity, in terms of the images and the survey design, is not included, but key aspects of a more mature pipeline are discussed. Finding unresolved binaries in objects used for PSF reconstruction increases the quality of the PSF determination at arbitrary positions. We show, using different approaches, that we are able to detect at least binary stars that are most damaging for the PSF reconstruction process. The code corresponding to the algorithms used in this work and all scripts to reproduce the results are publicly available from a GitHub repository accessible via http://lastro.epfl.ch/software

Stochastic transport through complex comb structures

International Nuclear Information System (INIS)

Zaburdaev, V. Yu.; Popov, P. V.; Romanov, A. S.; Chukbar, K. V.

2008-01-01

A unified rigorous approach is used to derive fractional differential equations describing subdiffusive transport through comb structures of various geometrical complexity. A general nontrivial effect of the initial particle distribution on the subsequent evolution is exposed. Solutions having qualitative features of practical importance are given for joined structures with widely different fractional exponents

Statistical Analysis of a Comprehensive List of Visual Binaries

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Kovaleva D.

2015-12-01

Full Text Available Visual binary stars are the most abundant class of observed binaries. The most comprehensive list of data on visual binaries compiled recently by cross-matching the largest catalogues of visual binaries allowed a statistical investigation of observational parameters of these systems. The dataset was cleaned by correcting uncertainties and misclassifications, and supplemented with available parallax data. The refined dataset is free from technical biases and contains 3676 presumably physical visual pairs of luminosity class V with known angular separations, magnitudes of the components, spectral types, and parallaxes. We also compiled a restricted sample of 998 pairs free from observational biases due to the probability of binary discovery. Certain distributions of observational and physical parameters of stars of our dataset are discussed.

Complex fragments from excited actinide nuclei. A new test of the finite range model

International Nuclear Information System (INIS)

Sarantities, D.G.; Bowman, D.R.; Wozniak, G.J.; Charity, R.J.; Liu, Z.H.; McDonald, R.J.; McMahan, M.A.; Moretto, L.G.

1989-01-01

Complex fragments ranging in charge from 7 ≤ Z ≤ 45 have been detected in binary coincidence following the reaction of 8.4 MeV/u 232 Th+ 12 C, and are shown to arise from the binary decay of a 244 Cm compound nucleus. This work confirms earlier radiochemical observations of very light fragments in the fission fragment mass distribution, establishes their binary character, and interprets their yield in terms of finite range potential energy barriers. (orig.)

Isotope-edited proton NMR study on the structure of a pepsin/inhibitor complex

International Nuclear Information System (INIS)

Fesik, S.W.; Luly, J.R.; Erickson, J.W.; Abad-Zapatero, C.

1988-01-01

A general approach is illustrated for providing detailed structural information on large enzyme/inhibitor complexes using NMR spectroscopy. The method involves the use of isotopically labeled ligands to simplify two-dimensional NOE spectra of large molecular complexes by isotope-editing techniques. With this approach, the backbone and side-chain conformations (at the P 2 and P 3 sites) of a tightly bound inhibitor of porcine pepsin have bene determined. In addition, structural information on the active site of pepsin has been obtained. Due to the sequence homology between porcine pepsin and human renin, this structural information may prove useful for modeling renin/inhibitor complexes with the ultimate goal of designing more effective renin inhibitors. Moreover, this general approach can be applied to study other biological systems of interest such as other enzyme/inhibitor complexes, ligands bound to soluble receptors, and enzyme/substrate interactions

Lidocaine/L-Menthol Binary System: Cocrystallization versus Solid-State Immiscibility

OpenAIRE

Corvis , Yohann; Négrier , Philippe; Lazerges , Mathieu; Massip , Stéphane; Léger , Jean-Michel; Espeau , Philippe

2010-01-01

International audience; We present the synthesis, structure determination, and thermodynamic properties of a never reported cocrystal prepared with lidocaine and L-menthol. The temperature-composition phase diagram of the lidocaine/L-menthol binary system was achieved using differential scanning calorimetry and X-ray diffraction experiments. The present study demonstrates that the only way to perform a phase equilibrium survey of the lidocaine/L-menthol system is to prepare the binary mixture...

Reinforcing Visual Grouping Cues to Communicate Complex Informational Structure.

Science.gov (United States)

Bae, Juhee; Watson, Benjamin

2014-12-01

In his book Multimedia Learning [7], Richard Mayer asserts that viewers learn best from imagery that provides them with cues to help them organize new information into the correct knowledge structures. Designers have long been exploiting the Gestalt laws of visual grouping to deliver viewers those cues using visual hierarchy, often communicating structures much more complex than the simple organizations studied in psychological research. Unfortunately, designers are largely practical in their work, and have not paused to build a complex theory of structural communication. If we are to build a tool to help novices create effective and well structured visuals, we need a better understanding of how to create them. Our work takes a first step toward addressing this lack, studying how five of the many grouping cues (proximity, color similarity, common region, connectivity, and alignment) can be effectively combined to communicate structured text and imagery from real world examples. To measure the effectiveness of this structural communication, we applied a digital version of card sorting, a method widely used in anthropology and cognitive science to extract cognitive structures. We then used tree edit distance to measure the difference between perceived and communicated structures. Our most significant findings are: 1) with careful design, complex structure can be communicated clearly; 2) communicating complex structure is best done with multiple reinforcing grouping cues; 3) common region (use of containers such as boxes) is particularly effective at communicating structure; and 4) alignment is a weak structural communicator.

Massive Black Hole Binary Evolution

Directory of Open Access Journals (Sweden)

Merritt David

2005-11-01

Full Text Available Coalescence of binary supermassive black holes (SBHs would constitute the strongest sources of gravitational waves to be observed by LISA. While the formation of binary SBHs during galaxy mergers is almost inevitable, coalescence requires that the separation between binary components first drop by a few orders of magnitude, due presumably to interaction of the binary with stars and gas in a galactic nucleus. This article reviews the observational evidence for binary SBHs and discusses how they would evolve. No completely convincing case of a bound, binary SBH has yet been found, although a handful of systems (e.g. interacting galaxies; remnants of galaxy mergers are now believed to contain two SBHs at projected separations of <~ 1kpc. N-body studies of binary evolution in gas-free galaxies have reached large enough particle numbers to reproduce the slow, “diffusive” refilling of the binary’s loss cone that is believed to characterize binary evolution in real galactic nuclei. While some of the results of these simulations - e.g. the binary hardening rate and eccentricity evolution - are strongly N-dependent, others - e.g. the “damage” inflicted by the binary on the nucleus - are not. Luminous early-type galaxies often exhibit depleted cores with masses of ~ 1-2 times the mass of their nuclear SBHs, consistent with the predictions of the binary model. Studies of the interaction of massive binaries with gas are still in their infancy, although much progress is expected in the near future. Binary coalescence has a large influence on the spins of SBHs, even for mass ratios as extreme as 10:1, and evidence of spin-flips may have been observed.

"I would have preferred more options": accounting for non-binary youth in health research.

Science.gov (United States)

Frohard-Dourlent, Hélène; Dobson, Sarah; Clark, Beth A; Doull, Marion; Saewyc, Elizabeth M

2017-01-01

As a research team focused on vulnerable youth, we increasingly need to find ways to acknowledge non-binary genders in health research. Youth have become more vocal about expanding notions of gender beyond traditional categories of boy/man and girl/woman. Integrating non-binary identities into established research processes is a complex undertaking in a culture that often assumes gender is a binary variable. In this article, we present the challenges at every stage of the research process and questions we have asked ourselves to consider non-binary genders in our work. As researchers, how do we interrogate the assumptions that have made non-binary lives invisible? What challenges arise when attempting to transform research practices to incorporate non-binary genders? Why is it crucial that researchers consider these questions at each step of the research process? We draw on our own research experiences to highlight points of tensions and possibilities for change. Improving access to inclusive health-care for non-binary people, and non-binary youth in particular, is part of creating a more equitable healthcare system. We argue that increased and improved access to inclusive health-care can be supported by research that acknowledges and includes people of all genders. © 2016 John Wiley & Sons Ltd.

Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

Science.gov (United States)

Puosi, F.; Jakse, N.; Pasturel, A.

2018-04-01

As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

Does human migration affect international trade? A complex-network perspective.

Science.gov (United States)

Fagiolo, Giorgio; Mastrorillo, Marina

2014-01-01

This paper explores the relationships between international human migration and merchandise trade, using a complex-network approach. We firstly compare the topological structure of worldwide networks of human migration and bilateral trade over the period 1960-2000. Next, we ask whether the position of any pair of countries in the migration network affects their bilateral trade flows. We show that: (i) both weighted and binary versions of the networks of international migration and trade are strongly correlated; (ii) such correlations can be mostly explained by country economic/demographic size and geographical distance; and (iii) pairs of countries that are more central in the international-migration network trade more. Our findings suggest that bilateral trade between any two countries is not only affected by the presence of migrants from either countries but also by their relative embeddedness in the complex web of corridors making up the network of international human migration.

Structural Analysis of Complex Networks

CERN Document Server

Dehmer, Matthias

2011-01-01

Filling a gap in literature, this self-contained book presents theoretical and application-oriented results that allow for a structural exploration of complex networks. The work focuses not only on classical graph-theoretic methods, but also demonstrates the usefulness of structural graph theory as a tool for solving interdisciplinary problems. Applications to biology, chemistry, linguistics, and data analysis are emphasized. The book is suitable for a broad, interdisciplinary readership of researchers, practitioners, and graduate students in discrete mathematics, statistics, computer science,

Structural comparison of complexes of methotrexate analogues with Lactobacillus casei dihydrofolate reductase by two-dimensional 1H NMR at 500 MHz

International Nuclear Information System (INIS)

Hammond, S.J.; Birdsall, B.; Feeney, J.; Searle, M.S.; Roberts, G.C.K.; Cheung, H.T.A.

1987-01-01

The authors have used two-dimensional (2D) NMR methods to examine complexes of Lactobacillus casei dihydrofolate reductase and methotrexate (MTX) analogues having structural modifications of the benzoyl ring and also the glutamic acid moiety. Assignments of the 1 H signals in the spectra of the various complexes were made by comparison of their 2D spectra with those complexes containing methotrexate where we have previously assigned resonances from 32 of the 162 amino acid residues. In the complexes formed with the dihalomethotrexate analogues, the glutamic acid and pteridine ring moieties were shown to bind to the enzyme in a manner similar to that found in the methotrexate-enzyme complex. Perturbations in 1 H chemical shifts of protons in Phe-49, Leu-54, and Leu-27 and the methotrexate H7 and NMe protons were observed in the different complexes and were accounted for by changes in orientation of the benzoyl ring in the various complexes. Binding of oxidized or reduced coenzyme to the binary complexes did not result in different shifts for Leu-27, Leu-54, or Leu-19 protons, and thus, the orientation of the benzoyl ring of the methotrexate analogues is not perturbed greatly by the presence of either oxidized or reduced coenzyme. In the complex with the γ-monoamide analog, the 1 H signals of assigned residues in the protein had almost identical shifts with the corresponding protons in the methotrexate-enzyme complex for all residues except His-28 and, to a lesser extent, Leu-27. This indicates that while the His-28 interaction with the MTX γ-CO 2 - is no longer present in this complex with the γ-amide, there has not been a major change in the overall structure of the two complexes. This behavior contrasts to that of the α-amide complex where 1 H signals from protons in several amino acid residues are different compared with their values in the complex formed with methotrexate

Lattice animals in diffusion limited binary colloidal system

Science.gov (United States)

Shireen, Zakiya; Babu, Sujin B.

2017-08-01

In a soft matter system, controlling the structure of the amorphous materials has been a key challenge. In this work, we have modeled irreversible diffusion limited cluster aggregation of binary colloids, which serves as a model for chemical gels. Irreversible aggregation of binary colloidal particles leads to the formation of a percolating cluster of one species or both species which are also called bigels. Before the formation of the percolating cluster, the system forms a self-similar structure defined by a fractal dimension. For a one component system when the volume fraction is very small, the clusters are far apart from each other and the system has a fractal dimension of 1.8. Contrary to this, we will show that for the binary system, we observe the presence of lattice animals which has a fractal dimension of 2 irrespective of the volume fraction. When the clusters start inter-penetrating, we observe a fractal dimension of 2.5, which is the same as in the case of the one component system. We were also able to predict the formation of bigels using a simple inequality relation. We have also shown that the growth of clusters follows the kinetic equations introduced by Smoluchowski for diffusion limited cluster aggregation. We will also show that the chemical distance of a cluster in the flocculation regime will follow the same scaling law as predicted for the lattice animals. Further, we will also show that irreversible binary aggregation comes under the universality class of the percolation theory.

TIDAL NOVAE IN COMPACT BINARY WHITE DWARFS

International Nuclear Information System (INIS)

Fuller, Jim; Lai Dong

2012-01-01

Compact binary white dwarfs (WDs) undergoing orbital decay due to gravitational radiation can experience significant tidal heating prior to merger. In these WDs, the dominant tidal effect involves the excitation of outgoing gravity waves in the inner stellar envelope and the dissipation of these waves in the outer envelope. As the binary orbit decays, the WDs are synchronized from outside in (with the envelope synchronized first, followed by the core). We examine the deposition of tidal heat in the envelope of a carbon-oxygen WD and study how such tidal heating affects the structure and evolution of the WD. We show that significant tidal heating can occur in the star's degenerate hydrogen layer. This layer heats up faster than it cools, triggering runaway nuclear fusion. Such 'tidal novae' may occur in all WD binaries containing a CO WD, at orbital periods between 5 minutes and 20 minutes, and precede the final merger by 10 5 -10 6 years.

A formalism for scattering of complex composite structures. I. Applications to branched structures of asymmetric sub-units

DEFF Research Database (Denmark)

Svaneborg, Carsten; Pedersen, Jan Skov

2012-01-01

to structural connectivity is completely decoupled from internal structure of the sub-units. This allows sub-units to be replaced by more complex structures. We illustrate the physical interpretation of the formalism diagrammatically. By applying a self-consistency requirement, we derive the pair distributions...

Towards a selective adsorbent for arsenate and selenite in the presence of phosphate: Assessment of adsorption efficiency, mechanism, and binary separation factors of the chitosan-copper complex.

Science.gov (United States)

Yamani, Jamila S; Lounsbury, Amanda W; Zimmerman, Julie B

2016-01-01

The potential for a chitosan-copper polymer complex to select for the target contaminants in the presence of their respective competitive ions was evaluated by synthesizing chitosan-copper beads (CCB) for the treatment of (arsenate:phosphate), (selenite:phosphate), and (selenate:sulfate). Based on work by Rhazi et al., copper (II) binds to the amine moiety on the chitosan backbone as a monodentate complex (Type I) and as a bidentate complex crosslinking two polymer chains (Type II), depending on pH and copper loading. In general, the Type I complex exists alone; however, beyond threshold conditions of pH 5.5 during synthesis and a copper loading of 0.25 mol Cu(II)/mol chitosan monomer, the Type I and Type II complexes coexist. Subsequent chelation of this chitosan-copper ligand to oxyanions results in enhanced and selective adsorption of the target contaminants in complex matrices with high background ion concentrations. With differing affinities for arsenate, selenite, and phosphate, the Type I complex favors phosphate chelation while the Type II complex favors arsenate chelation due to electrostatic considerations and selenite chelation due to steric effects. No trend was exhibited for the selenate:sulfate system possibly due to the high Ksp of the corresponding copper salts. Binary separation factors, α12, were calculated for the arsenate-phosphate and selenite-phosphate systems, supporting the mechanistic hypothesis. While, further research is needed to develop a synthesis method for the independent formation of the Type II complexes to select for target contaminants in complex matrices, this work can provide initial steps in the development of a selective adsorbent. Copyright © 2015 Elsevier Ltd. All rights reserved.

Dimethyl sulfoxide complexing with iodine

Energy Technology Data Exchange (ETDEWEB)

Borovikov, Yu Ya; Serguchev, Yu A; Staninets, V I

1986-01-01

Dielectrometry, conductometry, IR-spectroscopy are used to study dimethyl sulfoxide complexing with iodine in binary system and in CCl/sub 4/, C/sub 6/H/sub 6/, C/sub 6/H/sub 5/Cl, C/sub 6/H/sub 5/CF/sub 3/, 1, 2-dichloroethane solutions. Complexes of 1:1 composition are formed in solutions, in the binary system of 2:1 and 2:2 composition. I/sub 2/ molecules add to oxygen atoms. In CCl/sub 4/ and in binary system gradual transformation of so called external charge transfer complexes (CTC-1) to internal ones (CTC-2) that are described by the 1st order reaction kinetic equations is observed. On dissolution of CTC of 2:2 composition they disproportionate into two CTC molecules 1:1. Enthalpy of forming CTC-1 1:1 is approximately 4 kcal/mol, CTC-2 1:1 - 8, CTC-1 2:1 - 8 kcal/mol.

Complex fragments from excited actinide nuclei: A new test of the finite range model

International Nuclear Information System (INIS)

Sarantities, D.G.; Bowman, D.R.; Wozniak, G.J.; Charity, R.J.; Liu, Z.H.; McDonald, R.J.; McMahan, M.A.; Moretto, L.G.

1988-05-01

Complex fragments ranging in charge from 7≤Z≤45 have been detected in binary coincidence following the reaction of 8.4 MeV/u 232 Th+ 12 C, and are shown to arise from the binary decay of a 244 Cm compound nucleus. This work confirms earlier radiochemical observations of very light fragments in the fission fragment mass distribution, establishes their binary character, and interprets their yield in terms of finite range potential energy barriers. 15 refs., 3 figs

Structure of a preternary complex involving a prokaryotic NHEJ DNA polymerase.

Science.gov (United States)

Brissett, Nigel C; Martin, Maria J; Pitcher, Robert S; Bianchi, Julie; Juarez, Raquel; Green, Andrew J; Fox, Gavin C; Blanco, Luis; Doherty, Aidan J

2011-01-21

In many prokaryotes, a specific DNA primase/polymerase (PolDom) is required for nonhomologous end joining (NHEJ) repair of DNA double-strand breaks (DSBs). Here, we report the crystal structure of a catalytically active conformation of Mycobacterium tuberculosis PolDom, consisting of a polymerase bound to a DNA end with a 3' overhang, two metal ions, and an incoming nucleotide but, significantly, lacking a primer strand. This structure represents a polymerase:DNA complex in a preternary intermediate state. This polymerase complex occurs in solution, stabilizing the enzyme on DNA ends and promoting nucleotide extension of short incoming termini. We also demonstrate that the invariant Arg(220), contained in a conserved loop (loop 2), plays an essential role in catalysis by regulating binding of a second metal ion in the active site. We propose that this NHEJ intermediate facilitates extension reactions involving critically short or noncomplementary DNA ends, thus promoting break repair and minimizing sequence loss during DSB repair. Copyright © 2011 Elsevier Inc. All rights reserved.

A structural model of the E. coli PhoB Dimer in the transcription initiation complex

Directory of Open Access Journals (Sweden)

Tung Chang-Shung

2012-03-01

Full Text Available Abstract Background There exist > 78,000 proteins and/or nucleic acids structures that were determined experimentally. Only a small portion of these structures corresponds to those of protein complexes. While homology modeling is able to exploit knowledge-based potentials of side-chain rotomers and backbone motifs to infer structures for new proteins, no such general method exists to extend our understanding of protein interaction motifs to novel protein complexes. Results We use a Motif Binding Geometries (MBG approach, to infer the structure of a protein complex from the database of complexes of homologous proteins taken from other contexts (such as the helix-turn-helix motif binding double stranded DNA, and demonstrate its utility on one of the more important regulatory complexes in biology, that of the RNA polymerase initiating transcription under conditions of phosphate starvation. The modeled PhoB/RNAP/σ-factor/DNA complex is stereo-chemically reasonable, has sufficient interfacial Solvent Excluded Surface Areas (SESAs to provide adequate binding strength, is physically meaningful for transcription regulation, and is consistent with a variety of known experimental constraints. Conclusions Based on a straightforward and easy to comprehend concept, "proteins and protein domains that fold similarly could interact similarly", a structural model of the PhoB dimer in the transcription initiation complex has been developed. This approach could be extended to enable structural modeling and prediction of other bio-molecular complexes. Just as models of individual proteins provide insight into molecular recognition, catalytic mechanism, and substrate specificity, models of protein complexes will provide understanding into the combinatorial rules of cellular regulation and signaling.

Modelling the structure of complex networks

DEFF Research Database (Denmark)

Herlau, Tue

networks has been independently studied as mathematical objects in their own right. As such, there has been both an increased demand for statistical methods for complex networks as well as a quickly growing mathematical literature on the subject. In this dissertation we explore aspects of modelling complex....... The next chapters will treat some of the various symmetries, representer theorems and probabilistic structures often deployed in the modelling complex networks, the construction of sampling methods and various network models. The introductory chapters will serve to provide context for the included written...

On the dynamics of non-stationary binary stellar systems

International Nuclear Information System (INIS)

Bekov, A. A.; Bejsekov, A.N.; Aldibaeva, L.T.

2005-01-01

The motion of test body in the external gravitational field of the binary stellar system with slowly variable some physical parameters of radiating components is considered on the base of restricted non-stationary photo-gravitational three and two bodies problem. The family of polar and coplanar solutions are obtained. These solutions give the possibility of the dynamical and structure interpretation of the binary young evolving stars and galaxies. (author)

Modeling the Structure and Complexity of Engineering Routine Design Problems

NARCIS (Netherlands)

Jauregui Becker, Juan Manuel; Wits, Wessel Willems; van Houten, Frederikus J.A.M.

2011-01-01

This paper proposes a model to structure routine design problems as well as a model of its design complexity. The idea is that having a proper model of the structure of such problems enables understanding its complexity, and likewise, a proper understanding of its complexity enables the development

Effective Complexity of Stationary Process Realizations

Directory of Open Access Journals (Sweden)

Arleta Szkoła

2011-06-01

Full Text Available The concept of effective complexity of an object as the minimal description length of its regularities has been initiated by Gell-Mann and Lloyd. The regularities are modeled by means of ensembles, which is the probability distributions on finite binary strings. In our previous paper [1] we propose a definition of effective complexity in precise terms of algorithmic information theory. Here we investigate the effective complexity of binary strings generated by stationary, in general not computable, processes. We show that under not too strong conditions long typical process realizations are effectively simple. Our results become most transparent in the context of coarse effective complexity which is a modification of the original notion of effective complexity that needs less parameters in its definition. A similar modification of the related concept of sophistication has been suggested by Antunes and Fortnow.

Quantitative Structure-Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p-Xylene Mixtures: Application to Binary and Ternary Mixtures as Extractive Agents

Energy Technology Data Exchange (ETDEWEB)

Kang, Young-Mook; Oh, Kyunghwan; You, Hwan; No, Kyoung Tai [Bioinformatics and Molecular Design Research Center, Seoul (Korea, Republic of); Jeon, Yukwon; Shul, Yong-Gun; Hwang, Sung Bo; Shin, Hyun Kil; Kim, Min Sung; Kim, Namseok; Son, Hyoungjun [Yonsei University, Seoul (Korea, Republic of); Chu, Young Hwan [Sangji University, Wonju (Korea, Republic of); Cho, Kwang-Hwi [Soongsil University, Seoul (Korea, Republic of)

2016-04-15

Ethylbenzene (EB) and p-xylene (PX) are important chemicals for the production of industrial materials; accordingly, their efficient separation is desired, even though the difference in their boiling points is very small. This paper describes the efforts toward the identification of high-performance extractive agents for EB and PX separation by distillation. Most high-performance extractive agents contain halogen atoms, which present health hazards and are corrosive to distillation plates. To avoid this disadvantage of extractive agents, we developed a quantitative structure-relative volatility relationship (QSRVR) model for designing safe extractive agents. We have previously developed and reported QSRVR models for single extractive agents. In this study, we introduce extended QSRVR models for binary and ternary extractive agents. The QSRVR models accurately predict the relative volatilities of binary and ternary extractive agents. The service to predict the relative volatility for binary and ternary extractive agents is freely available from the Internet at http://qsrvr.o pengsi.org/.

Quantitative Structure-Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p-Xylene Mixtures: Application to Binary and Ternary Mixtures as Extractive Agents

International Nuclear Information System (INIS)

Kang, Young-Mook; Oh, Kyunghwan; You, Hwan; No, Kyoung Tai; Jeon, Yukwon; Shul, Yong-Gun; Hwang, Sung Bo; Shin, Hyun Kil; Kim, Min Sung; Kim, Namseok; Son, Hyoungjun; Chu, Young Hwan; Cho, Kwang-Hwi

2016-01-01

Ethylbenzene (EB) and p-xylene (PX) are important chemicals for the production of industrial materials; accordingly, their efficient separation is desired, even though the difference in their boiling points is very small. This paper describes the efforts toward the identification of high-performance extractive agents for EB and PX separation by distillation. Most high-performance extractive agents contain halogen atoms, which present health hazards and are corrosive to distillation plates. To avoid this disadvantage of extractive agents, we developed a quantitative structure-relative volatility relationship (QSRVR) model for designing safe extractive agents. We have previously developed and reported QSRVR models for single extractive agents. In this study, we introduce extended QSRVR models for binary and ternary extractive agents. The QSRVR models accurately predict the relative volatilities of binary and ternary extractive agents. The service to predict the relative volatility for binary and ternary extractive agents is freely available from the Internet at http://qsrvr.o pengsi.org/.

Shrinking of Binaries in a WIMPY Background at the Galactic Center

Science.gov (United States)

Hills, J. G.

2001-12-01

The nature of the dark matter in the Galactic Halo is still not clear. Constraints can be placed on it; e.g., it cannot be in baryons less massive than about 1022 grams (Hills, 1986, Astron. J. 92, 595). It may be in elementary weakly interacting massive particles, WIMPS. Apart from providing most of the mass of the Galaxy, the only known significant dynamical effect of WIMPS is to cause a gradual shrinking of tightly bound binaries (Hills 1983, Astron. J. 88, 1269) as they interact with the background soup of WIMPS. This effect may be observable in binaries close to the Galactic Center if a significant fraction of the mass density near the central black hole is from WIMPS. The requisite binaries would have to have orbital velocities greater than the local velocity dispersion of the WIMPS relative to the binary. The velocity dispersion increases near the black hole. The binary cannot be too close to the black hole or its tidal field will breakup the binary. If the local WIMP density is 107 g/cm3, the fractional rate of reduction in the binary orbital period is about 5 x 10-10/yr for a binary having a semimajor axis equal to 3 solar radii in a soup of WIMPS having a velocity dispersion of 200 km/s relative to the binary. This gradual erosion of the binary period may be detectable, particularly, if one of the binary components is a pulsar.

Structure analysis of complex metallic alloys in the Eu-Ag-In system by X-ray diffraction

International Nuclear Information System (INIS)

Gomez, Cesar Pay; Morita, Yoshiki; Tsai, An Pang; Yamamoto, Akiji

2009-01-01

In this work we investigate the complex atomic structures of two CMAs in the Eu-Ag-In system, these are quasicrystal approximants and their structures are similar to those of the 1/1 and 2/1 approximants found in the Yb-Cd system. The similarities between the Yb-Cd and Eu-Ag-In systems indicate that the RE-Ag-In systems in several ways can be treated as pseudo-binary. The investigated phases however also show some interesting differences; when Cd is replaced by the elements Ag and In partial chemical disorder is introduced into the system. As a response, the positional disorder which is usually observed in certain atomic positions for these types of approximants tends to disappear. The complete structures refined from single crystal data are described in detail and the differences with other related phases are highlighted. The 2/1 approximant in the Eu-Ag-In system is the first to exhibit such a degree of structural perfection in terms of positional order, a feature which makes this phase very suitable for further studies of chemical order and also can give insight into the local structures of related disordered phases. Electron diffraction studies on the 1/1 approximant phase have previously shown the presence of weak superlattice reflections, indicating a superstructure similar to that of the related phase Eu 4 Cd 25 . However, no superlattice reflections could be observed by single crystal diffraction and it is thus concluded that the phase has a disordered average structure with possible short to medium range superlattice ordering.

Relationships between structural complexity, coral traits, and reef fish assemblages

Science.gov (United States)

Darling, Emily S.; Graham, Nicholas A. J.; Januchowski-Hartley, Fraser A.; Nash, Kirsty L.; Pratchett, Morgan S.; Wilson, Shaun K.

2017-06-01

With the ongoing loss of coral cover and the associated flattening of reef architecture, understanding the links between coral habitat and reef fishes is of critical importance. Here, we investigate whether considering coral traits and functional diversity provides new insights into the relationship between structural complexity and reef fish communities, and whether coral traits and community composition can predict structural complexity. Across 157 sites in Seychelles, Maldives, the Chagos Archipelago, and Australia's Great Barrier Reef, we find that structural complexity and reef zone are the strongest and most consistent predictors of reef fish abundance, biomass, species richness, and trophic structure. However, coral traits, diversity, and life histories provided additional predictive power for models of reef fish assemblages, and were key drivers of structural complexity. Our findings highlight that reef complexity relies on living corals—with different traits and life histories—continuing to build carbonate skeletons, and that these nuanced relationships between coral assemblages and habitat complexity can affect the structure of reef fish assemblages. Seascape-level estimates of structural complexity are rapid and cost effective with important implications for the structure and function of fish assemblages, and should be incorporated into monitoring programs.

Structural design of SBWR reactor building complex using microcomputers

International Nuclear Information System (INIS)

Mandagi, K.; Rajagopal, R.S.; Sawhney, P.S.; Gou, P.F.

1993-01-01

The design concept of Simplified Boiling Water Reactor (SBWR) plant is based on simplicity and passive features to enhance safety and reliability, improve performance, and increase economic viability. The SBWR utilizes passive systems such as Gravity Driven Core-Cooling System (GDCS) and Passive Containment Cooling System (PCCS). To suit these design features the Reactor Building (RB) complex of the SBWR is configured as an integrated structure consisting of a cylindrical Reinforced Concrete Containment Vessel (RCCV) surrounded by square reinforced concrete safety envelope and outer box structures, all sharing a common reinforced concrete basemat. This paper describes the structural analysis and design aspects of the RB complex. A 3D STARDYNE finite element model has been developed for the structural analysis of the complex using a PC Compaq 486/33L microcomputer. The structural analysis is performed for service and factored load conditions for the applicable loading combinations. The dynamic responses of containment structures due to pool hydrodynamic loads have been calculated by an axisymmetric shell model using COSMOS/M program. The RCCV is designed in accordance with ASME Section 3, Division 2 Code. The rest of the RB which is classified as Seismic Category 1 structure is designed in accordance with the ACI 349 Code. This paper shows that microcomputers can be efficiently used for the analysis and design of large and complex structures such as RCCV and Reactor Building complex. The use of microcomputers can result in significant savings in the computational cost compared with that of mainframe computers

Interacting binary stars

CERN Document Server

Sahade, Jorge; Ter Haar, D

1978-01-01

Interacting Binary Stars deals with the development, ideas, and problems in the study of interacting binary stars. The book consolidates the information that is scattered over many publications and papers and gives an account of important discoveries with relevant historical background. Chapters are devoted to the presentation and discussion of the different facets of the field, such as historical account of the development in the field of study of binary stars; the Roche equipotential surfaces; methods and techniques in space astronomy; and enumeration of binary star systems that are studied

Graph theory and binary alloys passivated by nickel

International Nuclear Information System (INIS)

McCafferty, E.

2005-01-01

The passivity of a nickel binary alloy is considered in terms of a network of -Ni-O-Ni- bridges in the oxide film, where Ni is the component of the binary alloy which produces passivity. The structure of the oxide is represented by a mathematical graph, and graph theory is used to calculate the connectivity of the oxide, given by the product of the number of edges in the graph and the Randic index. A stochastic calculation is employed to insert ions of the second metal into the oxide film so as to disrupt the connectivity of the -Ni-O-Ni- network. This disruption occurs at a critical ionic concentration of the oxide film. Mathematical relationships are developed for the introduction of a general ion B +n into the oxide film, and critical ionic compositions are calculated for oxide films on the nickel binary alloys. The notation B refers to any metal B which produces B +n ions in the oxide film, where +n is the oxidation number of the ion. The results of this analysis for Fe-Ni and Cu-Ni binary alloys are in good agreement with experimental results

International conference entitled Zdeněk Kopal’s Binary Star Legacy

CERN Document Server

Drechsel, Horst; ZDENEK KOPAL’S BINARY STAR LEGACY

2005-01-01

An international conference entitled "Zdenek Kopal's Binary Star Legacy" was held on the occasion of the late Professor Kopal's 90th birthday in his home town of Litomyšl/Czech Republic and dedicated to the memory of one of the leading astronomers of the 20th century. Professor Kopal, who devoted 60 years of his scientific life to the exploration of close binary systems, initiated a breakthrough in this field with his description of binary components as non-spherical stars deformed by gravity, with surfaces following Roche equipotentials. Such knowledge triggered the development of new branches of astrophysics dealing with the structure and evolution of close binaries and the interaction effects displayed by exciting objects such as cataclysmic variables, symbiotic stars or X-ray binaries. Contributions to this conference included praise of the achievements of a great astronomer and personal reminiscences brought forward by Kopal's former students and colleagues, and reflected the state of the art of the dyn...

Crystal structure of the Msx-1 homeodomain/DNA complex.

Science.gov (United States)

Hovde, S; Abate-Shen, C; Geiger, J H

2001-10-09

The Msx-1 homeodomain protein plays a crucial role in craniofacial, limb, and nervous system development. Homeodomain DNA-binding domains are comprised of 60 amino acids that show a high degree of evolutionary conservation. We have determined the structure of the Msx-1 homeodomain complexed to DNA at 2.2 A resolution. The structure has an unusually well-ordered N-terminal arm with a unique trajectory across the minor groove of the DNA. DNA specificity conferred by bases flanking the core TAAT sequence is explained by well ordered water-mediated interactions at Q50. Most interactions seen at the TAAT sequence are typical of the interactions seen in other homeodomain structures. Comparison of the Msx-1-HD structure to all other high resolution HD-DNA complex structures indicate a remarkably well-conserved sphere of hydration between the DNA and protein in these complexes.

Synthesis, Crystal Structure of a Novel Mn Complex with Nicotinoyl-Glycine

Directory of Open Access Journals (Sweden)

Xin Wang

2016-12-01

Full Text Available A novel manganese complex, C16H26MnN4O12, was synthesized by the reaction of nicotinoyl-glycine and NaOH in an ethanol/water solution and structurally characterized by elemental analysis, UV-vis spectrum, IR spectrum and single-crystal X-ray diffraction analysis. The crystal of the complex belongs to the triclinic space group P1 with a = 7.8192(16 Å, b = 8.8800(18 Å, c = 9.0142(18 Å, α = 83.14(3°, β = 65.27(3°, γ = 81.67(3°, V = 516.3(2 Å3, Z = 1, Dx = 1.542 mg·m−3, μ = 0.66 mm−1, F(000 = 271, and final R1 = 0.0381, ωR2 = 0.0964. The nicotinoyl-glycine ligand acts as a bridging ligand to connect the manganese ions by the hydrogen interactions; thus, the complex expands into a 3D supramolecular net structure.

Communication over the network of binary switches regulates the activation of A2A adenosine receptor.

Directory of Open Access Journals (Sweden)

Yoonji Lee

2015-02-01

Full Text Available Dynamics and functions of G-protein coupled receptors (GPCRs are accurately regulated by the type of ligands that bind to the orthosteric or allosteric binding sites. To glean the structural and dynamical origin of ligand-dependent modulation of GPCR activity, we performed total ~ 5 μsec molecular dynamics simulations of A2A adenosine receptor (A2AAR in its apo, antagonist-bound, and agonist-bound forms in an explicit water and membrane environment, and examined the corresponding dynamics and correlation between the 10 key structural motifs that serve as the allosteric hotspots in intramolecular signaling network. We dubbed these 10 structural motifs "binary switches" as they display molecular interactions that switch between two distinct states. By projecting the receptor dynamics on these binary switches that yield 2(10 microstates, we show that (i the receptors in apo, antagonist-bound, and agonist-bound states explore vastly different conformational space; (ii among the three receptor states the apo state explores the broadest range of microstates; (iii in the presence of the agonist, the active conformation is maintained through coherent couplings among the binary switches; and (iv to be most specific, our analysis shows that W246, located deep inside the binding cleft, can serve as both an agonist sensor and actuator of ensuing intramolecular signaling for the receptor activation. Finally, our analysis of multiple trajectories generated by inserting an agonist to the apo state underscores that the transition of the receptor from inactive to active form requires the disruption of ionic-lock in the DRY motif.

Three-dimensional structure of the γ-secretase complex

International Nuclear Information System (INIS)

Ogura, Toshihiko; Mio, Kazuhiro; Hayashi, Ikuo; Miyashita, Hiroyuki; Fukuda, Rie; Kopan, Raphael; Kodama, Tatsuhiko; Hamakubo, Takao; Iwastubo, Takeshi; Tomita, Taisuke; Sato, Chikara

2006-01-01

γ-Secretase belongs to an atypical class of aspartic proteases that hydrolyzes peptide bonds within the transmembrane domain of substrates, including amyloid-β precursor protein and Notch. γ-Secretase is comprised of presenilin, nicastrin, APH-1, and PEN-2 which form a large multimeric membrane protein complex, the three-dimensional structure of which is unknown. To gain insight into the structure of this complex enzyme, we purified functional γ-secretase complex reconstituted in Sf9 cells and analyzed it using negative stain electron microscopy and 3D reconstruction techniques. Analysis of 2341 negatively stained particle images resulted in the three-dimensional representation of γ-secretase at a resolution of 48 A. The structure occupies a volume of 560 x 320 x 240 A and resembles a flat heart comprised of two oppositely faced, dimpled domains. A low density space containing multiple pores resides between the domains. Some of the dimples in the putative transmembrane region may house the catalytic site. The large dimensions are consistent with the observation that γ-secretase activity resides within a high molecular weight complex

Ionic pairing in binary liquids of charged hard spheres with non-additive diameters

International Nuclear Information System (INIS)

Pastore, G.; Giaquinta, P.V.; Thakur, J.S.; Tosi, M.P.

1985-07-01

We examine types of short range order that arise in binary liquids from a combination of Coulombic interactions and non-additivity of excluded volumes, the initial motivation being observations of complex formation by hydrated ions in concentrated aqueous solutions. The model is a fluid of charged hard spheres with contact distances σsub(+-)not=1/2(σsub(++)+σsub(--)), its structural functions being evaluated in the mean spherical approximation and in the hypernetted chain approximation. Cation-anion pairing is clearly seen in the calculated structural functions for negative deviations from additivity (σsub(+-) σsub(++)=σsub(--)) favour long-wavelength concentration fluctuations and demixing in a neutral mixture: these are suppressed by Coulombic interactions in favour of microscopic intermixing of the two species in the local liquid structure, up to like-ion pairing. Contact is made with diffraction from concentrated aqueous solutions of cadmium sulphate and other instances of possible applicability of the model are pointed out. (author)

A Game Map Complexity Measure Based on Hamming Distance

Science.gov (United States)

Li, Yan; Su, Pan; Li, Wenliang

With the booming of PC game market, Game AI has attracted more and more researches. The interesting and difficulty of a game are relative with the map used in game scenarios. Besides, the path-finding efficiency in a game is also impacted by the complexity of the used map. In this paper, a novel complexity measure based on Hamming distance, called the Hamming complexity, is introduced. This measure is able to estimate the complexity of binary tileworld. We experimentally demonstrated that Hamming complexity is highly relative with the efficiency of A* algorithm, and therefore it is a useful reference to the designer when developing a game map.

Atomic Resolution Imaging of Nanoscale Structural Ordering in a Complex Metal Oxide Catalyst

KAUST Repository

Zhu, Yihan; Wang, Qingxiao; Zhao, Lan; Teng, Baiyang; Lu, Weimin; Han, Yu

2012-01-01

The determination of the atomic structure of a functional material is crucial to understanding its "structure-to-property" relationship (e.g., the active sites in a catalyst), which is however challenging if the structure possesses complex

Discrete symmetries and the complex structure of Calabi-Yau manifolds

International Nuclear Information System (INIS)

Ross, G.G.

1988-01-01

We show how the discrete symmetries, which may be present after Calabi-Yau compactification for specific choices of the complex structure, extend to the h 2,1 moduli - the scalar fields whose vacuum expectation values determine the complex structure. This allows us to determine much about the coupling of the moduli and hence the energetically favoured complex structure. The discrete symmetry transformation properties of the moduli are worked out in detail for a three-generation Calabi-Yau model and it is shown how minimization of the effective potential involving these fields selects the complex structure which leaves unbroken a set of discrete symmetries. The phenomenological implications of the symmetries are briefly discussed. (orig.)

The fate of close encounters between binary stars and binary supermassive black holes

Science.gov (United States)

Wang, Yi-Han; Leigh, Nathan; Yuan, Ye-Fei; Perna, Rosalba

2018-04-01

The evolution of main-sequence binaries that reside in the Galactic Centre can be heavily influenced by the central supermassive black hole (SMBH). Due to these perturbative effects, the stellar binaries in dense environments are likely to experience mergers, collisions, or ejections through secular and/or non-secular interactions. More direct interactions with the central SMBH are thought to produce hypervelocity stars (HVSs) and tidal disruption events (TDEs). In this paper, we use N-body simulations to study the dynamics of stellar binaries orbiting a central SMBH primary with an outer SMBH secondary orbiting this inner triple. The effects of the secondary SMBH on the event rates of HVSs, TDEs, and stellar mergers are investigated, as a function of the SMBH-SMBH binary mass ratio. Our numerical experiments reveal that, relative to the isolated SMBH case, the TDE and HVS rates are enhanced for, respectively, the smallest and largest mass ratio SMBH-SMBH binaries. This suggests that the observed event rates of TDEs and HVSs have the potential to serve as a diagnostic of the mass ratio of a central SMBH-SMBH binary. The presence of a secondary SMBH also allows for the creation of hypervelocity binaries. Observations of these systems could thus constrain the presence of a secondary SMBH in the Galactic Centre.

A DEEPLY ECLIPSING DETACHED DOUBLE HELIUM WHITE DWARF BINARY

International Nuclear Information System (INIS)

Parsons, S. G.; Marsh, T. R.; Gaensicke, B. T.; Drake, A. J.; Koester, D.

2011-01-01

Using Liverpool Telescope+RISE photometry we identify the 2.78 hr period binary star CSS 41177 as a detached eclipsing double white dwarf binary with a 21,100 K primary star and a 10,500 K secondary star. This makes CSS 41177 only the second known eclipsing double white dwarf binary after NLTT 11748. The 2 minute long primary eclipse is 40% deep and the secondary eclipse 10% deep. From Gemini+GMOS spectroscopy, we measure the radial velocities of both components of the binary from the Hα absorption line cores. These measurements, combined with the light curve information, yield white dwarf masses of M 1 = 0.283 ± 0.064 M sun and M 2 = 0.274 ± 0.034 M sun , making them both helium core white dwarfs. As an eclipsing, double-lined spectroscopic binary, CSS 41177 is ideally suited to measuring precise, model-independent masses and radii. The two white dwarfs will merge in roughly 1.1 Gyr to form a single sdB star.

Structure formation in binary mixtures of surfactants: vesicle opening-up to bicelles and octopus-like micelles

Science.gov (United States)

Noguchi, Hiroshi

Micelle formation in binary mixtures of surfactants is studied using a coarse-grained molecular simulation. When a vesicle composed of lipid and detergent types of molecules is ruptured, a disk-shaped micelle, the bicelle, is typically formed. It is found that cup-shaped vesicles and bicelles connected with worm-like micelles are also formed depending on the surfactant ratio and critical micelle concentration. The obtained octopus shape of micelles agree with those observed in the cryo-TEM images reported in [S. Jain and F. S. Bates, Macromol. 37, 1511 (2004).]. Two types of connection structures between the worm-like micelles and the bicelles are revealed.

SYMBOL LEVEL DECODING FOR DUO-BINARY TURBO CODES

Directory of Open Access Journals (Sweden)

Yogesh Beeharry

2017-05-01

Full Text Available This paper investigates the performance of three different symbol level decoding algorithms for Duo-Binary Turbo codes. Explicit details of the computations involved in the three decoding techniques, and a computational complexity analysis are given. Simulation results with different couple lengths, code-rates, and QPSK modulation reveal that the symbol level decoding with bit-level information outperforms the symbol level decoding by 0.1 dB on average in the error floor region. Moreover, a complexity analysis reveals that symbol level decoding with bit-level information reduces the decoding complexity by 19.6 % in terms of the total number of computations required for each half-iteration as compared to symbol level decoding.

A practical O(n log2 n) time algorithm for computing the triplet distance on binary trees

DEFF Research Database (Denmark)

Sand, Andreas; Pedersen, Christian Nørgaard Storm; Mailund, Thomas

2013-01-01

rooted binary trees in time O (n log2 n). The algorithm is related to an algorithm for computing the quartet distance between two unrooted binary trees in time O (n log n). While the quartet distance algorithm has a very severe overhead in the asymptotic time complexity that makes it impractical compared......The triplet distance is a distance measure that compares two rooted trees on the same set of leaves by enumerating all sub-sets of three leaves and counting how often the induced topologies of the tree are equal or different. We present an algorithm that computes the triplet distance between two...

Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching

Science.gov (United States)

2013-01-01

REPORT Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: The stable matching...Franceschetti 858-822-2284 3. DATES COVERED (From - To) Standard Form 298 (Rev 8/98) Prescribed by ANSI Std. Z39.18 - Jealousy Graphs: Structure and...market. Using this structure, we are able to provide a ner analysis of the complexity of a subclass of decentralized matching markets. Jealousy

An Enterotoxin-Like Binary Protein from Pseudomonas protegens with Potent Nematicidal Activity.

Science.gov (United States)

Wei, Jun-Zhi; Siehl, Daniel L; Hou, Zhenglin; Rosen, Barbara; Oral, Jarred; Taylor, Christopher G; Wu, Gusui

2017-10-01

Soil microbes are a major food source for free-living soil nematodes. It is known that certain soil bacteria have evolved systems to combat predation. We identified the nematode-antagonistic Pseudomonas protegens strain 15G2 from screening of microbes. Through protein purification we identified a binary protein, designated Pp-ANP, which is responsible for the nematicidal activity. This binary protein inhibits Caenorhabditis elegans growth and development by arresting larvae at the L1 stage and killing older-staged worms. The two subunits, Pp-ANP1a and Pp-ANP2a, are active when reconstituted from separate expression in Escherichia coli The binary toxin also shows strong nematicidal activity against three other free-living nematodes ( Pristionchus pacificus , Panagrellus redivivus , and Acrobeloides sp.), but we did not find any activity against insects and fungi under test conditions, indicating specificity for nematodes. Pp-ANP1a has no significant identity to any known proteins, while Pp-ANP2a shows ∼30% identity to E. coli heat-labile enterotoxin (LT) subunit A and cholera toxin (CT) subunit A. Protein modeling indicates that Pp-ANP2a is structurally similar to CT/LT and likely acts as an ADP-ribosyltransferase. Despite the similarity, Pp-ANP shows several characteristics distinct from CT/LT toxins. Our results indicate that Pp-ANP is a new enterotoxin-like binary toxin with potent and specific activity to nematodes. The potency and specificity of Pp-ANP suggest applications in controlling parasitic nematodes and open an avenue for further research on its mechanism of action and role in bacterium-nematode interaction. IMPORTANCE This study reports the discovery of a new enterotoxin-like binary protein, Pp-ANP, from a Pseudomonas protegens strain. Pp-ANP shows strong nematicidal activity against Caenorhabditis elegans larvae and older-staged worms. It also shows strong activity on other free-living nematodes ( Pristionchus pacificus , Panagrellus redivivus , and

Large, dynamic, multi-protein complexes: a challenge for structural biology

Czech Academy of Sciences Publication Activity Database

Rozycki, B.; Bouřa, Evžen

2014-01-01

Roč. 26, č. 46 (2014), 463103/1-463103/11 ISSN 0953-8984 R&D Projects: GA MŠk LO1302 EU Projects: European Commission(XE) 333916 - STARPI4K Institutional support: RVO:61388963 Keywords : protein structure * multi-protein complexes * hybrid methods of structural biology Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.346, year: 2014

Organic Donor-Acceptor Complexes as Novel Organic Semiconductors.

Science.gov (United States)

Zhang, Jing; Xu, Wei; Sheng, Peng; Zhao, Guangyao; Zhu, Daoben

2017-07-18

Organic donor-acceptor (DA) complexes have attracted wide attention in recent decades, resulting in the rapid development of organic binary system electronics. The design and synthesis of organic DA complexes with a variety of component structures have mainly focused on metallicity (or even superconductivity), emission, or ferroelectricity studies. Further efforts have been made in high-performance electronic investigations. The chemical versatility of organic semiconductors provides DA complexes with a great number of possibilities for semiconducting applications. Organic DA complexes extend the semiconductor family and promote charge separation and transport in organic field-effect transistors (OFETs) and organic photovoltaics (OPVs). In OFETs, the organic complex serves as an active layer across extraordinary charge pathways, ensuring the efficient transport of induced charges. Although an increasing number of organic semiconductors have been reported to exhibit good p- or n-type properties (mobilities higher than 1 or even 10 cm 2 V -1 s -1 ), critical scientific challenges remain in utilizing the advantages of existing semiconductor materials for more and wider applications while maintaining less complicated synthetic or device fabrication processes. DA complex materials have revealed new insight: their unique molecular packing and structure-property relationships. The combination of donors and acceptors could offer practical advantages compared with their unimolecular materials. First, growing crystals of DA complexes with densely packed structures will reduce impurities and traps from the self-assembly process. Second, complexes based on the original structural components could form superior mixture stacking, which can facilitate charge transport depending on the driving force in the coassembly process. Third, the effective use of organic semiconductors can lead to tunable band structures, allowing the operation mode (p- or n-type) of the transistor to be

Does human migration affect international trade? A complex-network perspective.

Directory of Open Access Journals (Sweden)

Giorgio Fagiolo

Full Text Available This paper explores the relationships between international human migration and merchandise trade, using a complex-network approach. We firstly compare the topological structure of worldwide networks of human migration and bilateral trade over the period 1960-2000. Next, we ask whether the position of any pair of countries in the migration network affects their bilateral trade flows. We show that: (i both weighted and binary versions of the networks of international migration and trade are strongly correlated; (ii such correlations can be mostly explained by country economic/demographic size and geographical distance; and (iii pairs of countries that are more central in the international-migration network trade more. Our findings suggest that bilateral trade between any two countries is not only affected by the presence of migrants from either countries but also by their relative embeddedness in the complex web of corridors making up the network of international human migration.

Binary classification posed as a quadratically constrained quadratic ...

Indian Academy of Sciences (India)

Binary classification is posed as a quadratically constrained quadratic problem and solved using the proposed method. Each class in the binary classification problem is modeled as a multidimensional ellipsoid to forma quadratic constraint in the problem. Particle swarms help in determining the optimal hyperplane or ...

The RecQ helicase-topoisomerase III-Rmi1 complex: a DNA structure-specific 'dissolvasome'?

DEFF Research Database (Denmark)

Mankouri, Hocine W; Hickson, Ian D

2007-01-01

structures, and we propose here that it functions in a coordinated fashion as a DNA structure-specific 'dissolvasome'. Little is known about how the RTR complex might be regulated or targeted to various DNA structures in vivo. Recent findings indicate that the components of the RTR complex might activate...... the cell cycle checkpoint machinery as well as be a target of checkpoint kinases, suggesting that these events are crucial to ensure faithful DNA replication and chromosome segregation....

Crystallization and preliminary X-ray structural studies of a Melan-A pMHC–TCR complex

International Nuclear Information System (INIS)

Yuan, Fang; Georgiou, Theonie; Hillon, Theresa; Gostick, Emma; Price, David A.; Sewell, Andrew K.; Moysey, Ruth; Gavarret, Jessie; Vuidepot, Annelise; Sami, Malkit; Bell, John I.; Gao, George F.; Rizkallah, Pierre J.; Jakobsen, Bent K.

2007-01-01

A preliminary X-ray crystal structural study of a soluble cognate T-cell receptor (TCR) in complex with a pMHC presenting the Melan-A peptide (ELAGIGILTV) is reported. The TCR and pMHC were refolded, purified and mixed together to form complexes, which were crystallized using the sitting-drop vapour-diffusion method. Single TCR–pMHC complex crystals were cryocooled and used for data collection. Melanocytes are specialized pigmented cells that are found in all healthy skin tissue. In certain individuals, diseased melanocytes can form malignant tumours, melanomas, which cause the majority of skin-cancer-related deaths. The melanoma-associated antigenic peptides are presented on cell surfaces via the class I major histocompatibility complex (MHC). Among the melanoma-associated antigens, the melanoma self-antigen A/melanoma antigen recognized by T cells (Melan-A/MART-1) has attracted attention because of its wide expression in primary and metastatic melanomas. Here, a preliminary X-ray crystal structural study of a soluble cognate T-cell receptor (TCR) in complex with a pMHC presenting the Melan-A peptide (ELAGIGILTV) is reported. The TCR and pMHC were refolded, purified and mixed together to form complexes, which were crystallized using the sitting-drop vapour-diffusion method. Single TCR–pMHC complex crystals were cryocooled and used for data collection. Diffraction data showed that these crystals belonged to space group P4 1 /P4 3 , with unit-cell parameters a = b = 120.4, c = 81.6 Å. A complete data set was collected to 3.1 Å and the structure is currently being analysed

Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine.

Science.gov (United States)

Liu, Jing; Mei, Ziqing; Li, Ningning; Qi, Yutao; Xu, Yanji; Shi, Yigong; Wang, Feng; Lei, Jianlin; Gao, Ning

2013-06-14

The MecA-ClpC complex is a bacterial type II AAA(+) molecular machine responsible for regulated unfolding of substrates, such as transcription factors ComK and ComS, and targeting them to ClpP for degradation. The six subunits of the MecA-ClpC complex form a closed barrel-like structure, featured with three stacked rings and a hollow passage, where substrates are threaded and translocated through successive pores. Although the general concepts of how polypeptides are unfolded and translocated by internal pore loops of AAA(+) proteins have long been conceived, the detailed mechanistic model remains elusive. With cryoelectron microscopy, we captured four different structures of the MecA-ClpC complexes. These complexes differ in the nucleotide binding states of the two AAA(+) rings and therefore might presumably reflect distinctive, representative snapshots from a dynamic unfolding cycle of this hexameric complex. Structural analysis reveals that nucleotide binding and hydrolysis modulate the hexameric complex in a number of ways, including the opening of the N-terminal ring, the axial and radial positions of pore loops, the compactness of the C-terminal ring, as well as the relative rotation between the two nucleotide-binding domain rings. More importantly, our structural and biochemical data indicate there is an active allosteric communication between the two AAA(+) rings and suggest that concerted actions of the two AAA(+) rings are required for the efficiency of the substrate unfolding and translocation. These findings provide important mechanistic insights into the dynamic cycle of the MecA-ClpC unfoldase and especially lay a foundation toward the complete understanding of the structural dynamics of the general type II AAA(+) hexamers.

Skewed Binary Search Trees

DEFF Research Database (Denmark)

Brodal, Gerth Stølting; Moruz, Gabriel

2006-01-01

It is well-known that to minimize the number of comparisons a binary search tree should be perfectly balanced. Previous work has shown that a dominating factor over the running time for a search is the number of cache faults performed, and that an appropriate memory layout of a binary search tree...... can reduce the number of cache faults by several hundred percent. Motivated by the fact that during a search branching to the left or right at a node does not necessarily have the same cost, e.g. because of branch prediction schemes, we in this paper study the class of skewed binary search trees....... For all nodes in a skewed binary search tree the ratio between the size of the left subtree and the size of the tree is a fixed constant (a ratio of 1/2 gives perfect balanced trees). In this paper we present an experimental study of various memory layouts of static skewed binary search trees, where each...

Eclipsing binaries in open clusters

DEFF Research Database (Denmark)

Southworth, John; Clausen, J.V.

2006-01-01

Stars: fundamental parameters - Stars : binaries : eclipsing - Stars: Binaries: spectroscopic - Open clusters and ass. : general Udgivelsesdato: 5 August......Stars: fundamental parameters - Stars : binaries : eclipsing - Stars: Binaries: spectroscopic - Open clusters and ass. : general Udgivelsesdato: 5 August...

Structure of rhenium (5) complexes with petroleum organic sulfur compounds

International Nuclear Information System (INIS)

Akhmadieva, R.G.; Yusupova, N.A.; Numanov, N.U.; Basitova, S.M.

1985-01-01

Structure of Re(5) complexes with petroleum sulfides (L) of ReOCl 3 (L) 2 composition is studied by the UV- and IR-spectroscopy method in a short-wave and long-wave ranges. It is shown that Re(5) complex with L are of the form of flattened octahedron,where three Cl atoms and one L molecule are arranged in the plane around Re atom. The structure is analogous to structure of Re complexes with synthetic cyclic sulfides

Icosahedral binary clusters of glass-forming Lennard-Jones binary alloy

International Nuclear Information System (INIS)

Iwamatsu, Masao

2007-01-01

It is widely believed that the local icosahedral structure is related to the formation of bulk metallic glasses (BMGs). Specifically the existence of 13-atom icosahedral cluster in undercooled liquid is imagined to play a key role to initiate the glass formation as the seed of amorphous structure or to block the nucleation of regular crystal as the impurity. The existence of 13-atom icosahedral clusters in one-component liquids was predicted more than half a century ago by Frank from his total energy calculation for isolated clusters. In BMG alloys, however, the situation is less clear. In this report, we present the lowest-energy structures of 13-atom Lennard-Jones binary cluster calculated from the modified space-fixed genetic algorithm. We study, in particular, the artificial Lennard-Jones potential designed by Kob and Andersen [W. Kob, H.C. Andersen, Phys. Rev. E 51 (1995) 4626] that is known to form BMG. Curiously, the lowest-energy structures of 13-atom cluster are non-icosahedral for almost all compositions. Our result suggests that the existence of the icosahedral cluster is not a necessary condition but only a sufficient condition for glass formation

Thermal degradation features of peppermint oil in a binary system with Β- cyclodextrin

Directory of Open Access Journals (Sweden)

I. A. Omelchenko

2016-04-01

Full Text Available Aim. One of the most promising ways of changing physical and chemical properties of the active pharmaceutical ingredient is an encapsulation on a molecular level with the use of cyclodextrins. This makes it possible to create products with the desired activity and controlled distribution in the body. Methods and results. We have studied the thermal decomposition of peppermint oil in binary systems with β-cyclodextrin. It has been found that the thermal degradation of mechanical mixture and inclusion complex of the «host-guest» with the composition of 1:1 passes through different mechanisms. Conclusions. It is shown that the given data of thermal stability are useful for the identification of an inclusion complex «β-CD – peppermint oil» and assessing its complexation, and for the development of technology of medicinal forms of supramolecular complex of β-cyclodextrin and peppermint oil

SECULAR EVOLUTION OF COMPACT BINARIES NEAR MASSIVE BLACK HOLES: GRAVITATIONAL WAVE SOURCES AND OTHER EXOTICA

International Nuclear Information System (INIS)

Antonini, Fabio; Perets, Hagai B.

2012-01-01

The environment near supermassive black holes (SMBHs) in galactic nuclei contains a large number of stars and compact objects. A fraction of these are likely to be members of binaries. Here we discuss the binary population of stellar black holes and neutron stars near SMBHs and focus on the secular evolution of such binaries, due to the perturbation by the SMBH. Binaries with highly inclined orbits with respect to their orbit around the SMBH are strongly affected by secular Kozai processes, which periodically change their eccentricities and inclinations (Kozai cycles). During periapsis approach, at the highest eccentricities during the Kozai cycles, gravitational wave (GW) emission becomes highly efficient. Some binaries in this environment can inspiral and coalesce at timescales much shorter than a Hubble time and much shorter than similar binaries that do not reside near an SMBH. The close environment of SMBHs could therefore serve as a catalyst for the inspiral and coalescence of binaries and strongly affect their orbital properties. Such compact binaries would be detectable as GW sources by the next generation of GW detectors (e.g., advanced-LIGO). Our analysis shows that ∼0.5% of such nuclear merging binaries will enter the LIGO observational window while on orbits that are still very eccentric (e ∼> 0.5). The efficient GW analysis for such systems would therefore require the use of eccentric templates. We also find that binaries very close to the SMBH could evolve through a complex dynamical (non-secular) evolution, leading to emission of several GW pulses during only a few years (though these are likely to be rare). Finally, we note that the formation of close stellar binaries, X-ray binaries, and their merger products could be induced by similar secular processes, combined with tidal friction rather than GW emission as in the case of compact object binaries.

On Sequence Lengths of Some Special External Exclusive OR Type LFSR Structures – Study and Analysis

Directory of Open Access Journals (Sweden)

A Ahmad

2014-12-01

Full Text Available The study of the length of pseudo-random binary sequences generated by Linear- Feedback Shift Registers (LFSRs plays an important role in the design approaches of built-in selftest, cryptosystems, and other applications. However, certain LFSR structures might not be appropriate in some situations. Given that determining the length of generated pseudo-random binary sequence is a complex task, therefore, before using an LFSR structure, it is essential to investigate the length and the properties of the sequence. This paper investigates some conditions and LFSR’s structures, which restrict the pseudo-random binary sequences’ generation to a certain fixed length. The outcomes of this paper are presented in the form of theorems, simulations, and analyses. We believe that these outcomes are of great importance to the designers of built-in self-test equipment, cryptosystems, and other applications such as radar, CDMA, error correction, and Monte Carlo simulation.

Binary classification of items of interest in a repeatable process

Science.gov (United States)

Abell, Jeffrey A.; Spicer, John Patrick; Wincek, Michael Anthony; Wang, Hui; Chakraborty, Debejyo

2014-06-24

A system includes host and learning machines in electrical communication with sensors positioned with respect to an item of interest, e.g., a weld, and memory. The host executes instructions from memory to predict a binary quality status of the item. The learning machine receives signals from the sensor(s), identifies candidate features, and extracts features from the candidates that are more predictive of the binary quality status relative to other candidate features. The learning machine maps the extracted features to a dimensional space that includes most of the items from a passing binary class and excludes all or most of the items from a failing binary class. The host also compares the received signals for a subsequent item of interest to the dimensional space to thereby predict, in real time, the binary quality status of the subsequent item of interest.

Evolution of a massive binary in a star field

International Nuclear Information System (INIS)

Baranov, A.S.

1984-01-01

The orbital evolution of a massive binary system interacting with a background field of single stars whose phase density is homogeneous in configuration space is considered. The velocity distribution is assumed isotropic up to some limiting value, and a typical field star is regarded as having a velocity much higher than the orbital speed of the pair components. An expression is derived for the transfer of energy from the binary to the field stars. The time evolution of the orbit parameters a, e is established, and the evolution rate is estimated for Kardashev's (1983) model galactic nucleus containing a central black-hole binary. On the above assumptions the components should become twice as close together within only a few tens of millennia, although the picture may change fundamentally if the nucleus is rotating. 13 references

Performance Beyond The Binary: Towards An Intersectional And Intersexual Theatrical Discourse